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v0.10.3
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89
.conda/recipe.yaml
Normal file
89
.conda/recipe.yaml
Normal file
@@ -0,0 +1,89 @@
|
||||
package:
|
||||
name: unilabos
|
||||
version: 0.10.3
|
||||
|
||||
source:
|
||||
path: ../unilabos
|
||||
target_directory: unilabos
|
||||
|
||||
build:
|
||||
python:
|
||||
entry_points:
|
||||
- unilab = unilabos.app.main:main
|
||||
- unilab-register = unilabos.app.register:main
|
||||
script:
|
||||
- set PIP_NO_INDEX=
|
||||
- if: win
|
||||
then:
|
||||
- copy %RECIPE_DIR%\..\MANIFEST.in %SRC_DIR%
|
||||
- copy %RECIPE_DIR%\..\setup.cfg %SRC_DIR%
|
||||
- copy %RECIPE_DIR%\..\setup.py %SRC_DIR%
|
||||
- call %PYTHON% -m pip install %SRC_DIR%
|
||||
- if: unix
|
||||
then:
|
||||
- cp $RECIPE_DIR/../MANIFEST.in $SRC_DIR
|
||||
- cp $RECIPE_DIR/../setup.cfg $SRC_DIR
|
||||
- cp $RECIPE_DIR/../setup.py $SRC_DIR
|
||||
- $PYTHON -m pip install $SRC_DIR
|
||||
|
||||
|
||||
requirements:
|
||||
host:
|
||||
- python ==3.11.11
|
||||
- pip
|
||||
- setuptools
|
||||
run:
|
||||
- conda-forge::python ==3.11.11
|
||||
- compilers
|
||||
- cmake
|
||||
- ninja
|
||||
- if: unix
|
||||
then:
|
||||
- make
|
||||
- sphinx
|
||||
- sphinx_rtd_theme
|
||||
- numpy
|
||||
- scipy
|
||||
- pandas
|
||||
- networkx
|
||||
- matplotlib
|
||||
- pint
|
||||
- pyserial
|
||||
- pyusb
|
||||
- pylibftdi
|
||||
- pymodbus
|
||||
- python-can
|
||||
- pyvisa
|
||||
- opencv
|
||||
- pydantic
|
||||
- fastapi
|
||||
- uvicorn
|
||||
- gradio
|
||||
- flask
|
||||
- websocket
|
||||
- ipython
|
||||
- jupyter
|
||||
- jupyros
|
||||
- colcon-common-extensions
|
||||
- robostack-staging::ros-humble-desktop-full
|
||||
- robostack-staging::ros-humble-control-msgs
|
||||
- robostack-staging::ros-humble-sensor-msgs
|
||||
- robostack-staging::ros-humble-trajectory-msgs
|
||||
- ros-humble-navigation2
|
||||
- ros-humble-ros2-control
|
||||
- ros-humble-robot-state-publisher
|
||||
- ros-humble-joint-state-publisher
|
||||
- ros-humble-rosbridge-server
|
||||
- ros-humble-cv-bridge
|
||||
- ros-humble-tf2
|
||||
- ros-humble-moveit
|
||||
- ros-humble-moveit-servo
|
||||
- ros-humble-simulation
|
||||
- ros-humble-tf-transformations
|
||||
- transforms3d
|
||||
- uni-lab::ros-humble-unilabos-msgs
|
||||
|
||||
about:
|
||||
repository: https://github.com/dptech-corp/Uni-Lab-OS
|
||||
license: GPL-3.0
|
||||
description: "Uni-Lab-OS"
|
||||
9
.conda/scripts/post-link.bat
Normal file
9
.conda/scripts/post-link.bat
Normal file
@@ -0,0 +1,9 @@
|
||||
@echo off
|
||||
setlocal enabledelayedexpansion
|
||||
|
||||
REM upgrade pip
|
||||
"%PREFIX%\python.exe" -m pip install --upgrade pip
|
||||
|
||||
REM install extra deps
|
||||
"%PREFIX%\python.exe" -m pip install paho-mqtt opentrons_shared_data
|
||||
"%PREFIX%\python.exe" -m pip install git+https://github.com/Xuwznln/pylabrobot.git
|
||||
9
.conda/scripts/post-link.sh
Normal file
9
.conda/scripts/post-link.sh
Normal file
@@ -0,0 +1,9 @@
|
||||
#!/usr/bin/env bash
|
||||
set -euxo pipefail
|
||||
|
||||
# make sure pip is available
|
||||
"$PREFIX/bin/python" -m pip install --upgrade pip
|
||||
|
||||
# install extra deps
|
||||
"$PREFIX/bin/python" -m pip install paho-mqtt opentrons_shared_data
|
||||
"$PREFIX/bin/python" -m pip install git+https://github.com/Xuwznln/pylabrobot.git
|
||||
131
.github/workflows/multi-platform-build.yml
vendored
Normal file
131
.github/workflows/multi-platform-build.yml
vendored
Normal file
@@ -0,0 +1,131 @@
|
||||
name: Multi-Platform Conda Build
|
||||
|
||||
on:
|
||||
push:
|
||||
branches: [main, dev]
|
||||
tags: ['v*']
|
||||
pull_request:
|
||||
branches: [main, dev]
|
||||
workflow_dispatch:
|
||||
inputs:
|
||||
platforms:
|
||||
description: '选择构建平台 (逗号分隔): linux-64, osx-64, osx-arm64, win-64'
|
||||
required: false
|
||||
default: 'osx-arm64'
|
||||
upload_to_anaconda:
|
||||
description: '是否上传到Anaconda.org'
|
||||
required: false
|
||||
default: false
|
||||
type: boolean
|
||||
|
||||
jobs:
|
||||
build:
|
||||
strategy:
|
||||
fail-fast: false
|
||||
matrix:
|
||||
include:
|
||||
- os: ubuntu-latest
|
||||
platform: linux-64
|
||||
env_file: unilabos-linux-64.yaml
|
||||
- os: macos-13 # Intel
|
||||
platform: osx-64
|
||||
env_file: unilabos-osx-64.yaml
|
||||
- os: macos-latest # ARM64
|
||||
platform: osx-arm64
|
||||
env_file: unilabos-osx-arm64.yaml
|
||||
- os: windows-latest
|
||||
platform: win-64
|
||||
env_file: unilabos-win64.yaml
|
||||
|
||||
runs-on: ${{ matrix.os }}
|
||||
|
||||
defaults:
|
||||
run:
|
||||
shell: bash -l {0}
|
||||
|
||||
steps:
|
||||
- uses: actions/checkout@v4
|
||||
with:
|
||||
fetch-depth: 0
|
||||
|
||||
- name: Check if platform should be built
|
||||
id: should_build
|
||||
run: |
|
||||
if [[ "${{ github.event_name }}" != "workflow_dispatch" ]]; then
|
||||
echo "should_build=true" >> $GITHUB_OUTPUT
|
||||
elif [[ -z "${{ github.event.inputs.platforms }}" ]]; then
|
||||
echo "should_build=true" >> $GITHUB_OUTPUT
|
||||
elif [[ "${{ github.event.inputs.platforms }}" == *"${{ matrix.platform }}"* ]]; then
|
||||
echo "should_build=true" >> $GITHUB_OUTPUT
|
||||
else
|
||||
echo "should_build=false" >> $GITHUB_OUTPUT
|
||||
fi
|
||||
|
||||
- name: Setup Miniconda
|
||||
if: steps.should_build.outputs.should_build == 'true'
|
||||
uses: conda-incubator/setup-miniconda@v3
|
||||
with:
|
||||
miniconda-version: 'latest'
|
||||
channels: conda-forge,robostack-staging,defaults
|
||||
channel-priority: strict
|
||||
activate-environment: build-env
|
||||
auto-activate-base: false
|
||||
auto-update-conda: false
|
||||
show-channel-urls: true
|
||||
|
||||
- name: Install rattler-build and anaconda-client
|
||||
if: steps.should_build.outputs.should_build == 'true'
|
||||
run: |
|
||||
conda install -c conda-forge rattler-build anaconda-client
|
||||
|
||||
- name: Show environment info
|
||||
if: steps.should_build.outputs.should_build == 'true'
|
||||
run: |
|
||||
conda info
|
||||
conda list | grep -E "(rattler-build|anaconda-client)"
|
||||
echo "Platform: ${{ matrix.platform }}"
|
||||
echo "OS: ${{ matrix.os }}"
|
||||
|
||||
- name: Build conda package
|
||||
if: steps.should_build.outputs.should_build == 'true'
|
||||
run: |
|
||||
if [[ "${{ matrix.platform }}" == "osx-arm64" ]]; then
|
||||
rattler-build build -r ./recipes/msgs/recipe.yaml -c robostack -c robostack-staging -c conda-forge
|
||||
else
|
||||
rattler-build build -r ./recipes/msgs/recipe.yaml -c robostack -c robostack-staging -c conda-forge
|
||||
fi
|
||||
|
||||
- name: List built packages
|
||||
if: steps.should_build.outputs.should_build == 'true'
|
||||
run: |
|
||||
echo "Built packages in output directory:"
|
||||
find ./output -name "*.conda" | head -10
|
||||
ls -la ./output/${{ matrix.platform }}/ || echo "${{ matrix.platform }} directory not found"
|
||||
ls -la ./output/noarch/ || echo "noarch directory not found"
|
||||
echo "Output directory structure:"
|
||||
find ./output -type f -name "*.conda"
|
||||
|
||||
- name: Prepare artifacts for upload
|
||||
if: steps.should_build.outputs.should_build == 'true'
|
||||
run: |
|
||||
mkdir -p conda-packages-temp
|
||||
find ./output -name "*.conda" -exec cp {} conda-packages-temp/ \;
|
||||
echo "Copied files to temp directory:"
|
||||
ls -la conda-packages-temp/
|
||||
|
||||
- name: Upload conda package artifacts
|
||||
if: steps.should_build.outputs.should_build == 'true'
|
||||
uses: actions/upload-artifact@v4
|
||||
with:
|
||||
name: conda-package-${{ matrix.platform }}
|
||||
path: conda-packages-temp
|
||||
if-no-files-found: warn
|
||||
retention-days: 30
|
||||
|
||||
- name: Upload to Anaconda.org (unilab organization)
|
||||
if: steps.should_build.outputs.should_build == 'true' && github.event.inputs.upload_to_anaconda == 'true'
|
||||
run: |
|
||||
for package in $(find ./output -name "*.conda"); do
|
||||
echo "Uploading $package to unilab organization..."
|
||||
anaconda -t ${{ secrets.ANACONDA_API_TOKEN }} upload --user uni-lab --force "$package"
|
||||
done
|
||||
124
.github/workflows/unilabos-conda-build.yml
vendored
Normal file
124
.github/workflows/unilabos-conda-build.yml
vendored
Normal file
@@ -0,0 +1,124 @@
|
||||
name: UniLabOS Conda Build
|
||||
|
||||
on:
|
||||
push:
|
||||
branches: [main, dev]
|
||||
tags: ['v*']
|
||||
pull_request:
|
||||
branches: [main, dev]
|
||||
workflow_dispatch:
|
||||
inputs:
|
||||
platforms:
|
||||
description: '选择构建平台 (逗号分隔): linux-64, osx-64, osx-arm64, win-64'
|
||||
required: false
|
||||
default: 'linux-64'
|
||||
upload_to_anaconda:
|
||||
description: '是否上传到Anaconda.org'
|
||||
required: false
|
||||
default: false
|
||||
type: boolean
|
||||
|
||||
jobs:
|
||||
build:
|
||||
strategy:
|
||||
fail-fast: false
|
||||
matrix:
|
||||
include:
|
||||
- os: ubuntu-latest
|
||||
platform: linux-64
|
||||
- os: macos-13 # Intel
|
||||
platform: osx-64
|
||||
- os: macos-latest # ARM64
|
||||
platform: osx-arm64
|
||||
- os: windows-latest
|
||||
platform: win-64
|
||||
|
||||
runs-on: ${{ matrix.os }}
|
||||
|
||||
defaults:
|
||||
run:
|
||||
shell: bash -l {0}
|
||||
|
||||
steps:
|
||||
- uses: actions/checkout@v4
|
||||
with:
|
||||
fetch-depth: 0
|
||||
|
||||
- name: Check if platform should be built
|
||||
id: should_build
|
||||
run: |
|
||||
if [[ "${{ github.event_name }}" != "workflow_dispatch" ]]; then
|
||||
echo "should_build=true" >> $GITHUB_OUTPUT
|
||||
elif [[ -z "${{ github.event.inputs.platforms }}" ]]; then
|
||||
echo "should_build=true" >> $GITHUB_OUTPUT
|
||||
elif [[ "${{ github.event.inputs.platforms }}" == *"${{ matrix.platform }}"* ]]; then
|
||||
echo "should_build=true" >> $GITHUB_OUTPUT
|
||||
else
|
||||
echo "should_build=false" >> $GITHUB_OUTPUT
|
||||
fi
|
||||
|
||||
- name: Setup Miniconda
|
||||
if: steps.should_build.outputs.should_build == 'true'
|
||||
uses: conda-incubator/setup-miniconda@v3
|
||||
with:
|
||||
miniconda-version: 'latest'
|
||||
channels: conda-forge,robostack-staging,uni-lab,defaults
|
||||
channel-priority: strict
|
||||
activate-environment: build-env
|
||||
auto-activate-base: false
|
||||
auto-update-conda: false
|
||||
show-channel-urls: true
|
||||
|
||||
- name: Install rattler-build and anaconda-client
|
||||
if: steps.should_build.outputs.should_build == 'true'
|
||||
run: |
|
||||
conda install -c conda-forge rattler-build anaconda-client
|
||||
|
||||
- name: Show environment info
|
||||
if: steps.should_build.outputs.should_build == 'true'
|
||||
run: |
|
||||
conda info
|
||||
conda list | grep -E "(rattler-build|anaconda-client)"
|
||||
echo "Platform: ${{ matrix.platform }}"
|
||||
echo "OS: ${{ matrix.os }}"
|
||||
echo "Building UniLabOS package"
|
||||
|
||||
- name: Build conda package
|
||||
if: steps.should_build.outputs.should_build == 'true'
|
||||
run: |
|
||||
rattler-build build -r .conda/recipe.yaml -c uni-lab -c robostack-staging -c conda-forge
|
||||
|
||||
- name: List built packages
|
||||
if: steps.should_build.outputs.should_build == 'true'
|
||||
run: |
|
||||
echo "Built packages in output directory:"
|
||||
find ./output -name "*.conda" | head -10
|
||||
ls -la ./output/${{ matrix.platform }}/ || echo "${{ matrix.platform }} directory not found"
|
||||
ls -la ./output/noarch/ || echo "noarch directory not found"
|
||||
echo "Output directory structure:"
|
||||
find ./output -type f -name "*.conda"
|
||||
|
||||
- name: Prepare artifacts for upload
|
||||
if: steps.should_build.outputs.should_build == 'true'
|
||||
run: |
|
||||
mkdir -p conda-packages-temp
|
||||
find ./output -name "*.conda" -exec cp {} conda-packages-temp/ \;
|
||||
echo "Copied files to temp directory:"
|
||||
ls -la conda-packages-temp/
|
||||
|
||||
- name: Upload conda package artifacts
|
||||
if: steps.should_build.outputs.should_build == 'true'
|
||||
uses: actions/upload-artifact@v4
|
||||
with:
|
||||
name: conda-package-unilabos-${{ matrix.platform }}
|
||||
path: conda-packages-temp
|
||||
if-no-files-found: warn
|
||||
retention-days: 30
|
||||
|
||||
- name: Upload to Anaconda.org (uni-lab organization)
|
||||
if: github.event.inputs.upload_to_anaconda == 'true'
|
||||
run: |
|
||||
for package in $(find ./output -name "*.conda"); do
|
||||
echo "Uploading $package to uni-lab organization..."
|
||||
anaconda -t ${{ secrets.ANACONDA_API_TOKEN }} upload --user uni-lab --force "$package"
|
||||
done
|
||||
16
.gitignore
vendored
16
.gitignore
vendored
@@ -1,3 +1,7 @@
|
||||
configs/
|
||||
temp/
|
||||
output/
|
||||
unilabos_data/
|
||||
## Python
|
||||
|
||||
# Byte-compiled / optimized / DLL files
|
||||
@@ -6,6 +10,7 @@ __pycache__/
|
||||
.vscode
|
||||
*.py[cod]
|
||||
*$py.class
|
||||
service
|
||||
|
||||
# C extensions
|
||||
*.so
|
||||
@@ -231,4 +236,13 @@ CATKIN_IGNORE
|
||||
|
||||
/**/local_config.py
|
||||
|
||||
*.graphml
|
||||
*.graphml
|
||||
unilabos/device_mesh/view_robot.rviz
|
||||
|
||||
|
||||
# Certs
|
||||
**/.certs
|
||||
local_test2.py
|
||||
ros-humble-unilabos-msgs-0.9.13-h6403a04_5.tar.bz2
|
||||
*.bz2
|
||||
test_config.py
|
||||
|
||||
@@ -1,3 +1,5 @@
|
||||
recursive-include unilabos/registry *.yaml
|
||||
recursive-include unilabos/app/web *.html
|
||||
recursive-include unilabos/app/web *.css
|
||||
recursive-include unilabos/app/web/static *
|
||||
recursive-include unilabos/app/web/templates *
|
||||
recursive-include unilabos/device_mesh/devices *
|
||||
recursive-include unilabos/device_mesh/resources *
|
||||
|
||||
73
README.md
73
README.md
@@ -4,83 +4,74 @@
|
||||
|
||||
# Uni-Lab-OS
|
||||
|
||||
<!-- Language switcher -->
|
||||
**English** | [中文](README_zh.md)
|
||||
|
||||
[](https://github.com/dptech-corp/Uni-Lab-OS/stargazers)
|
||||
[](https://github.com/dptech-corp/Uni-Lab-OS/network/members)
|
||||
[](https://github.com/dptech-corp/Uni-Lab-OS/issues)
|
||||
[](https://github.com/dptech-corp/Uni-Lab-OS/blob/main/LICENSE)
|
||||
|
||||
Uni-Lab 操作系统是一个用于实验室自动化的综合平台，旨在连接和控制各种实验设备，实现实验流程的自动化和标准化。
|
||||
Uni-Lab-OS is a platform for laboratory automation, designed to connect and control various experimental equipment, enabling automation and standardization of experimental workflows.
|
||||
|
||||
## 核心特点
|
||||
## 🏆 Competition
|
||||
|
||||
- 多设备集成管理
|
||||
- 自动化实验流程
|
||||
- 云端连接能力
|
||||
- 灵活的配置系统
|
||||
- 支持多种实验协议
|
||||
Join the [Intelligent Organic Chemistry Synthesis Competition](https://bohrium.dp.tech/competitions/1451645258) to explore automated synthesis with Uni-Lab-OS!
|
||||
|
||||
## 文档
|
||||
## Key Features
|
||||
|
||||
详细文档可在以下位置找到:
|
||||
- Multi-device integration management
|
||||
- Automated experimental workflows
|
||||
- Cloud connectivity capabilities
|
||||
- Flexible configuration system
|
||||
- Support for multiple experimental protocols
|
||||
|
||||
- [在线文档](https://readthedocs.dp.tech/Uni-Lab/v0.8.0/)
|
||||
## Documentation
|
||||
|
||||
## 快速开始
|
||||
Detailed documentation can be found at:
|
||||
|
||||
1. 配置Conda环境
|
||||
- [Online Documentation](https://readthedocs.dp.tech/Uni-Lab/v0.8.0/)
|
||||
|
||||
Uni-Lab-OS 建议使用 `mamba` 管理环境。根据您的操作系统选择适当的环境文件:
|
||||
## Quick Start
|
||||
|
||||
Uni-Lab-OS recommends using `mamba` for environment management. Choose the appropriate environment file for your operating system:
|
||||
|
||||
```bash
|
||||
# 创建新环境
|
||||
mamba env create -f unilabos-[YOUR_OS].yaml
|
||||
mamba activate unilab
|
||||
|
||||
# 或更新现有环境
|
||||
# 其中 `[YOUR_OS]` 可以是 `win64`, `linux-64`, `osx-64`, 或 `osx-arm64`。
|
||||
conda env update --file unilabos-[YOUR_OS].yml -n 环境名
|
||||
|
||||
# 现阶段，需要安装 `unilabos_msgs` 包
|
||||
# 可以前往 Release 页面下载系统对应的包进行安装
|
||||
conda install ros-humble-unilabos-msgs-0.9.0-xxxxx.tar.bz2
|
||||
|
||||
# 安装PyLabRobot等前置
|
||||
git clone https://github.com/PyLabRobot/pylabrobot plr_repo
|
||||
cd plr_repo
|
||||
pip install .[opentrons]
|
||||
# Create new environment
|
||||
mamba create -n unilab uni-lab::unilabos -c robostack-staging -c conda-forge
|
||||
```
|
||||
|
||||
2. 安装 Uni-Lab-OS:
|
||||
## Install Dev Uni-Lab-OS
|
||||
|
||||
```bash
|
||||
# 克隆仓库
|
||||
# Clone the repository
|
||||
git clone https://github.com/dptech-corp/Uni-Lab-OS.git
|
||||
cd Uni-Lab-OS
|
||||
|
||||
# 安装 Uni-Lab-OS
|
||||
# Install Uni-Lab-OS
|
||||
pip install .
|
||||
```
|
||||
|
||||
3. 启动 Uni-Lab 系统:
|
||||
3. Start Uni-Lab System:
|
||||
|
||||
请见[文档-启动样例](https://readthedocs.dp.tech/Uni-Lab/v0.8.0/boot_examples/index.html)
|
||||
Please refer to [Documentation - Boot Examples](https://readthedocs.dp.tech/Uni-Lab/v0.8.0/boot_examples/index.html)
|
||||
|
||||
## 消息格式
|
||||
## Message Format
|
||||
|
||||
Uni-Lab-OS 使用预构建的 `unilabos_msgs` 进行系统通信。您可以在 [GitHub Releases](https://github.com/dptech-corp/Uni-Lab-OS/releases) 页面找到已构建的版本。
|
||||
Uni-Lab-OS uses pre-built `unilabos_msgs` for system communication. You can find the built versions on the [GitHub Releases](https://github.com/dptech-corp/Uni-Lab-OS/releases) page.
|
||||
|
||||
## 许可证
|
||||
## License
|
||||
|
||||
此项目采用 GPL-3.0 许可 - 详情请参阅 [LICENSE](LICENSE) 文件。
|
||||
This project is licensed under GPL-3.0 - see the [LICENSE](LICENSE) file for details.
|
||||
|
||||
## 项目统计
|
||||
## Project Statistics
|
||||
|
||||
### Stars 趋势
|
||||
### Stars Trend
|
||||
|
||||
<a href="https://star-history.com/#dptech-corp/Uni-Lab-OS&Date">
|
||||
<img src="https://api.star-history.com/svg?repos=dptech-corp/Uni-Lab-OS&type=Date" alt="Star History Chart" width="600">
|
||||
</a>
|
||||
|
||||
## 联系我们
|
||||
## Contact Us
|
||||
|
||||
- GitHub Issues: [https://github.com/dptech-corp/Uni-Lab-OS/issues](https://github.com/dptech-corp/Uni-Lab-OS/issues)
|
||||
79
README_zh.md
Normal file
79
README_zh.md
Normal file
@@ -0,0 +1,79 @@
|
||||
<div align="center">
|
||||
<img src="docs/logo.png" alt="Uni-Lab Logo" width="200"/>
|
||||
</div>
|
||||
|
||||
# Uni-Lab-OS
|
||||
|
||||
<!-- Language switcher -->
|
||||
[English](README.md) | **中文**
|
||||
|
||||
[](https://github.com/dptech-corp/Uni-Lab-OS/stargazers)
|
||||
[](https://github.com/dptech-corp/Uni-Lab-OS/network/members)
|
||||
[](https://github.com/dptech-corp/Uni-Lab-OS/issues)
|
||||
[](https://github.com/dptech-corp/Uni-Lab-OS/blob/main/LICENSE)
|
||||
|
||||
Uni-Lab-OS是一个用于实验室自动化的综合平台，旨在连接和控制各种实验设备，实现实验流程的自动化和标准化。
|
||||
|
||||
## 🏆 比赛
|
||||
|
||||
欢迎参加[有机化学合成智能实验大赛](https://bohrium.dp.tech/competitions/1451645258)，使用 Uni-Lab-OS 探索自动化合成！
|
||||
|
||||
## 核心特点
|
||||
|
||||
- 多设备集成管理
|
||||
- 自动化实验流程
|
||||
- 云端连接能力
|
||||
- 灵活的配置系统
|
||||
- 支持多种实验协议
|
||||
|
||||
## 文档
|
||||
|
||||
详细文档可在以下位置找到:
|
||||
|
||||
- [在线文档](https://readthedocs.dp.tech/Uni-Lab/v0.8.0/)
|
||||
|
||||
## 快速开始
|
||||
|
||||
1. 配置Conda环境
|
||||
|
||||
Uni-Lab-OS 建议使用 `mamba` 管理环境。根据您的操作系统选择适当的环境文件:
|
||||
|
||||
```bash
|
||||
# 创建新环境
|
||||
mamba create -n unilab uni-lab::unilabos -c robostack-staging -c conda-forge
|
||||
```
|
||||
|
||||
2. 安装开发版Uni-Lab-OS:
|
||||
|
||||
```bash
|
||||
# 克隆仓库
|
||||
git clone https://github.com/dptech-corp/Uni-Lab-OS.git
|
||||
cd Uni-Lab-OS
|
||||
|
||||
# 安装 Uni-Lab-OS
|
||||
pip install .
|
||||
```
|
||||
|
||||
3. 启动 Uni-Lab 系统:
|
||||
|
||||
请见[文档-启动样例](https://readthedocs.dp.tech/Uni-Lab/v0.8.0/boot_examples/index.html)
|
||||
|
||||
## 消息格式
|
||||
|
||||
Uni-Lab-OS 使用预构建的 `unilabos_msgs` 进行系统通信。您可以在 [GitHub Releases](https://github.com/dptech-corp/Uni-Lab-OS/releases) 页面找到已构建的版本。
|
||||
|
||||
## 许可证
|
||||
|
||||
此项目采用 GPL-3.0 许可 - 详情请参阅 [LICENSE](LICENSE) 文件。
|
||||
|
||||
## 项目统计
|
||||
|
||||
### Stars 趋势
|
||||
|
||||
<a href="https://star-history.com/#dptech-corp/Uni-Lab-OS&Date">
|
||||
<img src="https://api.star-history.com/svg?repos=dptech-corp/Uni-Lab-OS&type=Date" alt="Star History Chart" width="600">
|
||||
</a>
|
||||
|
||||
## 联系我们
|
||||
|
||||
- GitHub Issues: [https://github.com/dptech-corp/Uni-Lab-OS/issues](https://github.com/dptech-corp/Uni-Lab-OS/issues)
|
||||
@@ -1,3 +1,6 @@
|
||||
channel_sources:
|
||||
- robostack,robostack-staging,conda-forge,defaults
|
||||
|
||||
gazebo:
|
||||
- '11'
|
||||
libpqxx:
|
||||
|
||||
7
recipes/macos_sdk_config.yaml
Normal file
7
recipes/macos_sdk_config.yaml
Normal file
@@ -0,0 +1,7 @@
|
||||
CONDA_BUILD_SYSROOT:
|
||||
- /Library/Developer/CommandLineTools/SDKs/MacOSX.sdk
|
||||
MACOSX_DEPLOYMENT_TARGET:
|
||||
- "11.0"
|
||||
CONDA_SUBDIR:
|
||||
- osx-arm64
|
||||
# boa build -m ./recipes/conda_build_config.yaml -m ./recipes/macos_sdk_config.yaml ./recipes/ros-humble-unilabos-msgs
|
||||
@@ -1,6 +1,7 @@
|
||||
:: Generated by vinca http://github.com/RoboStack/vinca.
|
||||
:: DO NOT EDIT!
|
||||
setlocal EnableDelayedExpansion
|
||||
@echo off
|
||||
setlocal enabledelayedexpansion
|
||||
|
||||
set "PYTHONPATH=%LIBRARY_PREFIX%\lib\site-packages;%SP_DIR%"
|
||||
|
||||
@@ -16,9 +17,11 @@ pushd build
|
||||
|
||||
:: try to fix long paths issues by using default generator
|
||||
set "CMAKE_GENERATOR=Visual Studio %VS_MAJOR% %VS_YEAR%"
|
||||
set "SP_DIR_FORWARDSLASHES=%SP_DIR:\=/%"
|
||||
|
||||
set PYTHON="%PREFIX%\python.exe"
|
||||
set PYTHON=%PYTHON:\=/%
|
||||
set SP_DIR="..\Lib\site-packages"
|
||||
set SP_DIR=%SP_DIR:\=/%
|
||||
|
||||
cmake ^
|
||||
-G "%CMAKE_GENERATOR%" ^
|
||||
@@ -32,10 +35,10 @@ cmake ^
|
||||
-DBUILD_SHARED_LIBS=ON ^
|
||||
-DBUILD_TESTING=OFF ^
|
||||
-DCMAKE_OBJECT_PATH_MAX=255 ^
|
||||
-DPYTHON_INSTALL_DIR=%SP_DIR_FORWARDSLASHES% ^
|
||||
-DPYTHON_INSTALL_DIR=%SP_DIR% ^
|
||||
--compile-no-warning-as-error ^
|
||||
%SRC_DIR%\%PKG_NAME%\src\work
|
||||
%SRC_DIR%\src
|
||||
if errorlevel 1 exit 1
|
||||
|
||||
cmake --build . --config Release --target install
|
||||
if errorlevel 1 exit 1
|
||||
cmake --build . --config Release --target install -j8
|
||||
if errorlevel 1 exit 1
|
||||
@@ -24,7 +24,7 @@ echo "USING PKG_CONFIG_EXECUTABLE=${PKG_CONFIG_EXECUTABLE}"
|
||||
export ROS_PYTHON_VERSION=`$PYTHON_EXECUTABLE -c "import sys; print('%i.%i' % (sys.version_info[0:2]))"`
|
||||
echo "Using Python ${ROS_PYTHON_VERSION}"
|
||||
# Fix up SP_DIR which for some reason might contain a path to a wrong Python version
|
||||
FIXED_SP_DIR=$(echo $SP_DIR | sed -E "s/python[0-9]+\.[0-9]+/python$ROS_PYTHON_VERSION/")
|
||||
FIXED_SP_DIR=$($PYTHON_EXECUTABLE -c "import site; print(site.getsitepackages()[0])")
|
||||
echo "Using site-package dir ${FIXED_SP_DIR}"
|
||||
|
||||
# see https://github.com/conda-forge/cross-python-feedstock/issues/24
|
||||
@@ -56,7 +56,6 @@ cmake \
|
||||
-DPYTHON_EXECUTABLE=$PYTHON_EXECUTABLE \
|
||||
-DPython_EXECUTABLE=$PYTHON_EXECUTABLE \
|
||||
-DPython3_EXECUTABLE=$PYTHON_EXECUTABLE \
|
||||
-DPython3_FIND_STRATEGY=LOCATION \
|
||||
-DPKG_CONFIG_EXECUTABLE=$PKG_CONFIG_EXECUTABLE \
|
||||
-DPYTHON_INSTALL_DIR=$FIXED_SP_DIR \
|
||||
-DSETUPTOOLS_DEB_LAYOUT=OFF \
|
||||
@@ -66,6 +65,6 @@ cmake \
|
||||
-DBUILD_TESTING=OFF \
|
||||
-DCMAKE_OSX_DEPLOYMENT_TARGET=$OSX_DEPLOYMENT_TARGET \
|
||||
--compile-no-warning-as-error \
|
||||
$SRC_DIR/$PKG_NAME/src/work
|
||||
$SRC_DIR/src
|
||||
|
||||
cmake --build . --config Release --target install
|
||||
cmake --build . --config Release --target install -j8
|
||||
76
recipes/msgs/recipe.yaml
Normal file
76
recipes/msgs/recipe.yaml
Normal file
@@ -0,0 +1,76 @@
|
||||
package:
|
||||
name: ros-humble-unilabos-msgs
|
||||
version: 0.10.3
|
||||
source:
|
||||
path: ../../unilabos_msgs
|
||||
target_directory: src
|
||||
|
||||
build:
|
||||
script:
|
||||
- if: win
|
||||
then:
|
||||
- copy %RECIPE_DIR%\bld_ament_cmake.bat %SRC_DIR%
|
||||
- call %SRC_DIR%\bld_ament_cmake.bat
|
||||
- if: unix
|
||||
then:
|
||||
- cp $RECIPE_DIR/build_ament_cmake.sh $SRC_DIR
|
||||
- bash $SRC_DIR/build_ament_cmake.sh
|
||||
|
||||
about:
|
||||
repository: https://github.com/dptech-corp/Uni-Lab-OS
|
||||
license: BSD-3-Clause
|
||||
description: "ros-humble-unilabos-msgs is a package that provides message definitions for Uni-Lab-OS."
|
||||
|
||||
requirements:
|
||||
build:
|
||||
- ${{ compiler('cxx') }}
|
||||
- ${{ compiler('c') }}
|
||||
- python ==3.11.11
|
||||
- numpy
|
||||
- if: build_platform != target_platform
|
||||
then:
|
||||
- pkg-config
|
||||
- cross-python_${{ target_platform }}
|
||||
- if: linux and x86_64
|
||||
then:
|
||||
- sysroot_linux-64 ==2.17
|
||||
- ninja
|
||||
- setuptools
|
||||
- cython
|
||||
- cmake
|
||||
- if: unix
|
||||
then:
|
||||
- make
|
||||
- coreutils
|
||||
- if: osx
|
||||
then:
|
||||
- tapi
|
||||
- if: win
|
||||
then:
|
||||
- vs2022_win-64
|
||||
host:
|
||||
- numpy
|
||||
- pip
|
||||
- if: build_platform == target_platform
|
||||
then:
|
||||
- pkg-config
|
||||
- robostack-staging::ros-humble-action-msgs
|
||||
- robostack-staging::ros-humble-ament-cmake
|
||||
- robostack-staging::ros-humble-ament-lint-auto
|
||||
- robostack-staging::ros-humble-ament-lint-common
|
||||
- robostack-staging::ros-humble-ros-environment
|
||||
- robostack-staging::ros-humble-ros-workspace
|
||||
- robostack-staging::ros-humble-rosidl-default-generators
|
||||
- robostack-staging::ros-humble-std-msgs
|
||||
- robostack-staging::ros-humble-geometry-msgs
|
||||
- robostack-staging::ros2-distro-mutex=0.6
|
||||
run:
|
||||
- robostack-staging::ros-humble-action-msgs
|
||||
- robostack-staging::ros-humble-ros-workspace
|
||||
- robostack-staging::ros-humble-rosidl-default-runtime
|
||||
- robostack-staging::ros-humble-std-msgs
|
||||
- robostack-staging::ros-humble-geometry-msgs
|
||||
- robostack-staging::ros2-distro-mutex=0.6
|
||||
- if: osx and x86_64
|
||||
then:
|
||||
- __osx >=${{ MACOSX_DEPLOYMENT_TARGET|default('10.14') }}
|
||||
@@ -1,61 +0,0 @@
|
||||
package:
|
||||
name: ros-humble-unilabos-msgs
|
||||
version: 0.9.0
|
||||
source:
|
||||
path: ../../unilabos_msgs
|
||||
folder: ros-humble-unilabos-msgs/src/work
|
||||
|
||||
build:
|
||||
script:
|
||||
sel(win): bld_ament_cmake.bat
|
||||
sel(unix): build_ament_cmake.sh
|
||||
number: 5
|
||||
about:
|
||||
home: https://www.ros.org/
|
||||
license: BSD-3-Clause
|
||||
summary: |
|
||||
Robot Operating System
|
||||
|
||||
extra:
|
||||
recipe-maintainers:
|
||||
- ros-forge
|
||||
|
||||
requirements:
|
||||
build:
|
||||
- "{{ compiler('cxx') }}"
|
||||
- "{{ compiler('c') }}"
|
||||
- sel(linux64): sysroot_linux-64 2.17
|
||||
- ninja
|
||||
- setuptools
|
||||
- sel(unix): make
|
||||
- sel(unix): coreutils
|
||||
- sel(osx): tapi
|
||||
- sel(build_platform != target_platform): pkg-config
|
||||
- cmake
|
||||
- cython
|
||||
- sel(win): vs2022_win-64
|
||||
- sel(build_platform != target_platform): python
|
||||
- sel(build_platform != target_platform): cross-python_{{ target_platform }}
|
||||
- sel(build_platform != target_platform): numpy
|
||||
host:
|
||||
- numpy
|
||||
- pip
|
||||
- sel(build_platform == target_platform): pkg-config
|
||||
- robostack-staging::ros-humble-action-msgs
|
||||
- robostack-staging::ros-humble-ament-cmake
|
||||
- robostack-staging::ros-humble-ament-lint-auto
|
||||
- robostack-staging::ros-humble-ament-lint-common
|
||||
- robostack-staging::ros-humble-ros-environment
|
||||
- robostack-staging::ros-humble-ros-workspace
|
||||
- robostack-staging::ros-humble-rosidl-default-generators
|
||||
- robostack-staging::ros-humble-std-msgs
|
||||
- robostack-staging::ros-humble-geometry-msgs
|
||||
- robostack-staging::ros2-distro-mutex=0.6.*
|
||||
run:
|
||||
- robostack-staging::ros-humble-action-msgs
|
||||
- robostack-staging::ros-humble-ros-workspace
|
||||
- robostack-staging::ros-humble-rosidl-default-runtime
|
||||
- robostack-staging::ros-humble-std-msgs
|
||||
- robostack-staging::ros-humble-geometry-msgs
|
||||
- robostack-staging::ros2-distro-mutex=0.6.*
|
||||
- sel(osx and x86_64): __osx >={{ MACOSX_DEPLOYMENT_TARGET|default('10.14') }}
|
||||
@@ -1,6 +1,6 @@
|
||||
package:
|
||||
name: unilabos
|
||||
version: "0.9.0"
|
||||
version: "0.10.3"
|
||||
|
||||
source:
|
||||
path: ../..
|
||||
|
||||
@@ -1,4 +1,2 @@
|
||||
[develop]
|
||||
script_dir=$base/lib/unilabos
|
||||
[install]
|
||||
install_scripts=$base/lib/unilabos
|
||||
|
||||
3
setup.py
3
setup.py
@@ -4,7 +4,7 @@ package_name = 'unilabos'
|
||||
|
||||
setup(
|
||||
name=package_name,
|
||||
version='0.9.0',
|
||||
version='0.10.3',
|
||||
packages=find_packages(),
|
||||
include_package_data=True,
|
||||
install_requires=['setuptools'],
|
||||
@@ -17,6 +17,7 @@ setup(
|
||||
entry_points={
|
||||
'console_scripts': [
|
||||
"unilab = unilabos.app.main:main",
|
||||
"unilab-register = unilabos.app.register:main"
|
||||
],
|
||||
},
|
||||
)
|
||||
|
||||
@@ -2,4 +2,10 @@
|
||||
|
||||
```bash
|
||||
ros2 action send_goal /devices/host_node/create_resource_detailed unilabos_msgs/action/_resource_create_from_outer/ResourceCreateFromOuter "{ resources: [ { 'category': '', 'children': [], 'config': { 'type': 'Well', 'size_x': 6.86, 'size_y': 6.86, 'size_z': 10.67, 'rotation': { 'x': 0, 'y': 0, 'z': 0, 'type': 'Rotation' }, 'category': 'well', 'model': null, 'max_volume': 360, 'material_z_thickness': 0.5, 'compute_volume_from_height': null, 'compute_height_from_volume': null, 'bottom_type': 'flat', 'cross_section_type': 'circle' }, 'data': { 'liquids': [], 'pending_liquids': [], 'liquid_history': [] }, 'id': 'plate_well_11_7', 'name': 'plate_well_11_7', 'pose': { 'orientation': { 'w': 1.0, 'x': 0.0, 'y': 0.0, 'z': 0.0 }, 'position': { 'x': 0.0, 'y': 0.0, 'z': 0.0 } }, 'sample_id': '', 'parent': 'plate', 'type': 'device' } ], device_ids: [ 'PLR_STATION' ], bind_parent_ids: [ 'plate' ], bind_locations: [ { 'x': 0.0, 'y': 0.0, 'z': 0.0 } ], other_calling_params: [ '{}' ] }"
|
||||
```
|
||||
|
||||
使用mock_all.json启动，重新捕获MockContainerForChiller1
|
||||
|
||||
```bash
|
||||
ros2 action send_goal /devices/host_node/create_resource unilabos_msgs/action/_resource_create_from_outer_easy/ResourceCreateFromOuterEasy "{ 'res_id': 'MockContainerForChiller1', 'device_id': 'MockChiller1', 'class_name': 'container', 'parent': 'MockChiller1', 'bind_locations': { 'x': 0.0, 'y': 0.0, 'z': 0.0 }, 'liquid_input_slot': [ -1 ], 'liquid_type': [ 'CuCl2' ], 'liquid_volume': [ 100.0 ], 'slot_on_deck': '' }"
|
||||
```
|
||||
@@ -0,0 +1,563 @@
|
||||
{
|
||||
"nodes": [
|
||||
{
|
||||
"id": "AddProtocolTestStation",
|
||||
"name": "添加协议测试站",
|
||||
"children": [
|
||||
"transfer_pump_1",
|
||||
"transfer_pump_2",
|
||||
"multiway_valve_1",
|
||||
"multiway_valve_2",
|
||||
"stirrer_1",
|
||||
"stirrer_2",
|
||||
"flask_DMF",
|
||||
"flask_ethyl_acetate",
|
||||
"flask_methanol",
|
||||
"flask_acetone",
|
||||
"flask_water",
|
||||
"flask_air",
|
||||
"main_reactor",
|
||||
"secondary_reactor",
|
||||
"waste_workup",
|
||||
"collection_bottle_1",
|
||||
"collection_bottle_2"
|
||||
],
|
||||
"parent": null,
|
||||
"type": "device",
|
||||
"class": "workstation",
|
||||
"position": {
|
||||
"x": 500,
|
||||
"y": 200,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"protocol_type": ["PumpTransferProtocol", "AddProtocol"]
|
||||
},
|
||||
"data": {}
|
||||
},
|
||||
{
|
||||
"id": "transfer_pump_1",
|
||||
"name": "转移泵1",
|
||||
"children": [],
|
||||
"parent": "AddProtocolTestStation",
|
||||
"type": "device",
|
||||
"class": "virtual_transfer_pump",
|
||||
"position": {
|
||||
"x": 250,
|
||||
"y": 300,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"port": "VIRTUAL_PUMP1",
|
||||
"max_volume": 25.0,
|
||||
"transfer_rate": 5.0
|
||||
},
|
||||
"data": {
|
||||
"position": 0.0,
|
||||
"status": "Idle"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "transfer_pump_2",
|
||||
"name": "转移泵2",
|
||||
"children": [],
|
||||
"parent": "AddProtocolTestStation",
|
||||
"type": "device",
|
||||
"class": "virtual_transfer_pump",
|
||||
"position": {
|
||||
"x": 750,
|
||||
"y": 300,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"port": "VIRTUAL_PUMP2",
|
||||
"max_volume": 25.0,
|
||||
"transfer_rate": 5.0
|
||||
},
|
||||
"data": {
|
||||
"position": 0.0,
|
||||
"status": "Idle"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "multiway_valve_1",
|
||||
"name": "试剂分配阀",
|
||||
"children": [],
|
||||
"parent": "AddProtocolTestStation",
|
||||
"type": "device",
|
||||
"class": "virtual_multiway_valve",
|
||||
"position": {
|
||||
"x": 250,
|
||||
"y": 400,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"port": "VIRTUAL_VALVE1",
|
||||
"positions": 8
|
||||
},
|
||||
"data": {
|
||||
"current_position": 1
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "multiway_valve_2",
|
||||
"name": "反应器分配阀",
|
||||
"children": [],
|
||||
"parent": "AddProtocolTestStation",
|
||||
"type": "device",
|
||||
"class": "virtual_multiway_valve",
|
||||
"position": {
|
||||
"x": 750,
|
||||
"y": 400,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"port": "VIRTUAL_VALVE2",
|
||||
"positions": 8
|
||||
},
|
||||
"data": {
|
||||
"current_position": 1
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "stirrer_1",
|
||||
"name": "主反应器搅拌器",
|
||||
"children": [],
|
||||
"parent": "AddProtocolTestStation",
|
||||
"type": "device",
|
||||
"class": "virtual_stirrer",
|
||||
"position": {
|
||||
"x": 600,
|
||||
"y": 450,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"port": "VIRTUAL_STIRRER1",
|
||||
"max_speed": 1500.0,
|
||||
"default_speed": 300.0
|
||||
},
|
||||
"data": {
|
||||
"speed": 0.0,
|
||||
"status": "Stopped"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "stirrer_2",
|
||||
"name": "副反应器搅拌器",
|
||||
"children": [],
|
||||
"parent": "AddProtocolTestStation",
|
||||
"type": "device",
|
||||
"class": "virtual_stirrer",
|
||||
"position": {
|
||||
"x": 900,
|
||||
"y": 450,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"port": "VIRTUAL_STIRRER2",
|
||||
"max_speed": 1500.0,
|
||||
"default_speed": 300.0
|
||||
},
|
||||
"data": {
|
||||
"speed": 0.0,
|
||||
"status": "Stopped"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "flask_DMF",
|
||||
"name": "DMF试剂瓶",
|
||||
"children": [],
|
||||
"parent": "AddProtocolTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 50,
|
||||
"y": 550,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 1000.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": [
|
||||
{
|
||||
"liquid_type": "DMF",
|
||||
"liquid_volume": 800.0
|
||||
}
|
||||
]
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "flask_ethyl_acetate",
|
||||
"name": "乙酸乙酯试剂瓶",
|
||||
"children": [],
|
||||
"parent": "AddProtocolTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 150,
|
||||
"y": 550,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 1000.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": [
|
||||
{
|
||||
"liquid_type": "ethyl_acetate",
|
||||
"liquid_volume": 800.0
|
||||
}
|
||||
]
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "flask_methanol",
|
||||
"name": "甲醇试剂瓶",
|
||||
"children": [],
|
||||
"parent": "AddProtocolTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 250,
|
||||
"y": 550,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 1000.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": [
|
||||
{
|
||||
"liquid_type": "methanol",
|
||||
"liquid_volume": 800.0
|
||||
}
|
||||
]
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "flask_acetone",
|
||||
"name": "丙酮试剂瓶",
|
||||
"children": [],
|
||||
"parent": "AddProtocolTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 350,
|
||||
"y": 550,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 1000.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": [
|
||||
{
|
||||
"liquid_type": "acetone",
|
||||
"liquid_volume": 800.0
|
||||
}
|
||||
]
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "flask_water",
|
||||
"name": "蒸馏水瓶",
|
||||
"children": [],
|
||||
"parent": "AddProtocolTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 450,
|
||||
"y": 550,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 1000.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": [
|
||||
{
|
||||
"liquid_type": "water",
|
||||
"liquid_volume": 800.0
|
||||
}
|
||||
]
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "flask_air",
|
||||
"name": "空气瓶",
|
||||
"children": [],
|
||||
"parent": "AddProtocolTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 550,
|
||||
"y": 550,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 1000.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": []
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "main_reactor",
|
||||
"name": "主反应器",
|
||||
"children": [],
|
||||
"parent": "AddProtocolTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 600,
|
||||
"y": 500,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 2000.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": []
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "secondary_reactor",
|
||||
"name": "副反应器",
|
||||
"children": [],
|
||||
"parent": "AddProtocolTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 900,
|
||||
"y": 500,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 1000.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": []
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "waste_workup",
|
||||
"name": "废液处理瓶",
|
||||
"children": [],
|
||||
"parent": "AddProtocolTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 700,
|
||||
"y": 600,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 2000.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": []
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "collection_bottle_1",
|
||||
"name": "收集瓶1",
|
||||
"children": [],
|
||||
"parent": "AddProtocolTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 800,
|
||||
"y": 600,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 1000.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": []
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "collection_bottle_2",
|
||||
"name": "收集瓶2",
|
||||
"children": [],
|
||||
"parent": "AddProtocolTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 900,
|
||||
"y": 600,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 1000.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": []
|
||||
}
|
||||
}
|
||||
],
|
||||
"links": [
|
||||
{
|
||||
"id": "link_pump1_valve1",
|
||||
"source": "transfer_pump_1",
|
||||
"target": "multiway_valve_1",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"transfer_pump_1": "transferpump",
|
||||
"multiway_valve_1": "transferpump"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_pump2_valve2",
|
||||
"source": "transfer_pump_2",
|
||||
"target": "multiway_valve_2",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"transfer_pump_2": "transferpump",
|
||||
"multiway_valve_2": "transferpump"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_valve1_valve2",
|
||||
"source": "multiway_valve_1",
|
||||
"target": "multiway_valve_2",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"multiway_valve_1": "8",
|
||||
"multiway_valve_2": "1"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_valve1_DMF",
|
||||
"source": "multiway_valve_1",
|
||||
"target": "flask_DMF",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"multiway_valve_1": "1",
|
||||
"flask_DMF": "outlet"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_valve1_ethyl_acetate",
|
||||
"source": "multiway_valve_1",
|
||||
"target": "flask_ethyl_acetate",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"multiway_valve_1": "2",
|
||||
"flask_ethyl_acetate": "outlet"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_valve1_methanol",
|
||||
"source": "multiway_valve_1",
|
||||
"target": "flask_methanol",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"multiway_valve_1": "3",
|
||||
"flask_methanol": "outlet"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_valve1_acetone",
|
||||
"source": "multiway_valve_1",
|
||||
"target": "flask_acetone",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"multiway_valve_1": "4",
|
||||
"flask_acetone": "outlet"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_valve1_water",
|
||||
"source": "multiway_valve_1",
|
||||
"target": "flask_water",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"multiway_valve_1": "5",
|
||||
"flask_water": "outlet"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_valve1_air",
|
||||
"source": "multiway_valve_1",
|
||||
"target": "flask_air",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"multiway_valve_1": "6",
|
||||
"flask_air": "top"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_valve2_main_reactor",
|
||||
"source": "multiway_valve_2",
|
||||
"target": "main_reactor",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"multiway_valve_2": "2",
|
||||
"main_reactor": "inlet"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_valve2_secondary_reactor",
|
||||
"source": "multiway_valve_2",
|
||||
"target": "secondary_reactor",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"multiway_valve_2": "3",
|
||||
"secondary_reactor": "inlet"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_valve2_waste",
|
||||
"source": "multiway_valve_2",
|
||||
"target": "waste_workup",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"multiway_valve_2": "6",
|
||||
"waste_workup": "inlet"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_valve2_collection1",
|
||||
"source": "multiway_valve_2",
|
||||
"target": "collection_bottle_1",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"multiway_valve_2": "7",
|
||||
"collection_bottle_1": "inlet"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_valve2_collection2",
|
||||
"source": "multiway_valve_2",
|
||||
"target": "collection_bottle_2",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"multiway_valve_2": "8",
|
||||
"collection_bottle_2": "inlet"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_stirrer1_main_reactor",
|
||||
"source": "stirrer_1",
|
||||
"target": "main_reactor",
|
||||
"type": "mechanical",
|
||||
"port": {
|
||||
"stirrer_1": "stirrer_head",
|
||||
"main_reactor": "stirrer_port"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_stirrer2_secondary_reactor",
|
||||
"source": "stirrer_2",
|
||||
"target": "secondary_reactor",
|
||||
"type": "mechanical",
|
||||
"port": {
|
||||
"stirrer_2": "stirrer_head",
|
||||
"secondary_reactor": "stirrer_port"
|
||||
}
|
||||
}
|
||||
]
|
||||
}
|
||||
@@ -0,0 +1,438 @@
|
||||
{
|
||||
"nodes": [
|
||||
{
|
||||
"id": "CentrifugeProtocolTestStation",
|
||||
"name": "离心协议测试站",
|
||||
"children": [
|
||||
"transfer_pump_1",
|
||||
"transfer_pump_2",
|
||||
"multiway_valve_1",
|
||||
"multiway_valve_2",
|
||||
"centrifuge_1",
|
||||
"reaction_mixture",
|
||||
"centrifuge_tube",
|
||||
"collection_bottle_1",
|
||||
"flask_water",
|
||||
"flask_ethanol",
|
||||
"flask_acetone",
|
||||
"flask_air",
|
||||
"waste_workup"
|
||||
],
|
||||
"parent": null,
|
||||
"type": "device",
|
||||
"class": "workstation",
|
||||
"position": {
|
||||
"x": 500,
|
||||
"y": 200,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"protocol_type": [
|
||||
"CentrifugeProtocol",
|
||||
"PumpTransferProtocol"
|
||||
]
|
||||
},
|
||||
"data": {}
|
||||
},
|
||||
{
|
||||
"id": "transfer_pump_1",
|
||||
"name": "主转移泵",
|
||||
"children": [],
|
||||
"parent": "CentrifugeProtocolTestStation",
|
||||
"type": "device",
|
||||
"class": "virtual_transfer_pump",
|
||||
"position": {
|
||||
"x": 200,
|
||||
"y": 300,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"port": "VIRTUAL_PUMP1",
|
||||
"max_volume": 25.0,
|
||||
"transfer_rate": 2.0
|
||||
},
|
||||
"data": {
|
||||
"position": 0.0,
|
||||
"status": "Idle"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "transfer_pump_2",
|
||||
"name": "副转移泵",
|
||||
"children": [],
|
||||
"parent": "CentrifugeProtocolTestStation",
|
||||
"type": "device",
|
||||
"class": "virtual_transfer_pump",
|
||||
"position": {
|
||||
"x": 400,
|
||||
"y": 300,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"port": "VIRTUAL_PUMP2",
|
||||
"max_volume": 25.0,
|
||||
"transfer_rate": 2.0
|
||||
},
|
||||
"data": {
|
||||
"position": 0.0,
|
||||
"status": "Idle"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "multiway_valve_1",
|
||||
"name": "溶剂分配阀",
|
||||
"children": [],
|
||||
"parent": "CentrifugeProtocolTestStation",
|
||||
"type": "device",
|
||||
"class": "virtual_multiway_valve",
|
||||
"position": {
|
||||
"x": 200,
|
||||
"y": 400,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"port": "VIRTUAL_VALVE1",
|
||||
"positions": 8
|
||||
},
|
||||
"data": {
|
||||
"current_position": 1
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "multiway_valve_2",
|
||||
"name": "样品分配阀",
|
||||
"children": [],
|
||||
"parent": "CentrifugeProtocolTestStation",
|
||||
"type": "device",
|
||||
"class": "virtual_multiway_valve",
|
||||
"position": {
|
||||
"x": 400,
|
||||
"y": 400,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"port": "VIRTUAL_VALVE2",
|
||||
"positions": 8
|
||||
},
|
||||
"data": {
|
||||
"current_position": 1
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "centrifuge_1",
|
||||
"name": "离心机",
|
||||
"children": [],
|
||||
"parent": "CentrifugeProtocolTestStation",
|
||||
"type": "device",
|
||||
"class": "virtual_centrifuge",
|
||||
"position": {
|
||||
"x": 600,
|
||||
"y": 350,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"port": "VIRTUAL_CENTRIFUGE1",
|
||||
"max_speed": 15000.0,
|
||||
"max_temp": 40.0,
|
||||
"min_temp": 4.0
|
||||
},
|
||||
"data": {
|
||||
"status": "Idle"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "reaction_mixture",
|
||||
"name": "反应混合物",
|
||||
"children": [],
|
||||
"parent": "CentrifugeProtocolTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 100,
|
||||
"y": 500,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 500.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": [
|
||||
{
|
||||
"liquid_type": "cell_suspension",
|
||||
"liquid_volume": 200.0
|
||||
}
|
||||
]
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "centrifuge_tube",
|
||||
"name": "离心管",
|
||||
"children": [],
|
||||
"parent": "CentrifugeProtocolTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 600,
|
||||
"y": 450,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 15.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": []
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "collection_bottle_1",
|
||||
"name": "上清液收集瓶",
|
||||
"children": [],
|
||||
"parent": "CentrifugeProtocolTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 700,
|
||||
"y": 500,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 500.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": []
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "flask_water",
|
||||
"name": "蒸馏水瓶",
|
||||
"children": [],
|
||||
"parent": "CentrifugeProtocolTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 200,
|
||||
"y": 600,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 1000.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": [
|
||||
{
|
||||
"liquid_type": "water",
|
||||
"liquid_volume": 900.0
|
||||
}
|
||||
]
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "flask_ethanol",
|
||||
"name": "乙醇清洗瓶",
|
||||
"children": [],
|
||||
"parent": "CentrifugeProtocolTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 300,
|
||||
"y": 600,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 1000.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": [
|
||||
{
|
||||
"liquid_type": "ethanol",
|
||||
"liquid_volume": 800.0
|
||||
}
|
||||
]
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "flask_acetone",
|
||||
"name": "丙酮清洗瓶",
|
||||
"children": [],
|
||||
"parent": "CentrifugeProtocolTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 400,
|
||||
"y": 600,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 1000.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": [
|
||||
{
|
||||
"liquid_type": "acetone",
|
||||
"liquid_volume": 800.0
|
||||
}
|
||||
]
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "flask_air",
|
||||
"name": "空气瓶",
|
||||
"children": [],
|
||||
"parent": "CentrifugeProtocolTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 100,
|
||||
"y": 600,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 1000.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": []
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "waste_workup",
|
||||
"name": "废液瓶",
|
||||
"children": [],
|
||||
"parent": "CentrifugeProtocolTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 800,
|
||||
"y": 550,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 2000.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": []
|
||||
}
|
||||
}
|
||||
],
|
||||
"links": [
|
||||
{
|
||||
"id": "link_pump1_valve1",
|
||||
"source": "transfer_pump_1",
|
||||
"target": "multiway_valve_1",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"transfer_pump_1": "transferpump",
|
||||
"multiway_valve_1": "transferpump"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_pump2_valve2",
|
||||
"source": "transfer_pump_2",
|
||||
"target": "multiway_valve_2",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"transfer_pump_2": "transferpump",
|
||||
"multiway_valve_2": "transferpump"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_valve1_air",
|
||||
"source": "multiway_valve_1",
|
||||
"target": "flask_air",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"multiway_valve_1": "1",
|
||||
"flask_air": "top"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_valve1_water",
|
||||
"source": "multiway_valve_1",
|
||||
"target": "flask_water",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"multiway_valve_1": "2",
|
||||
"flask_water": "outlet"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_valve1_ethanol",
|
||||
"source": "multiway_valve_1",
|
||||
"target": "flask_ethanol",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"multiway_valve_1": "3",
|
||||
"flask_ethanol": "outlet"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_valve1_acetone",
|
||||
"source": "multiway_valve_1",
|
||||
"target": "flask_acetone",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"multiway_valve_1": "4",
|
||||
"flask_acetone": "outlet"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_valve1_valve2",
|
||||
"source": "multiway_valve_1",
|
||||
"target": "multiway_valve_2",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"multiway_valve_1": "5",
|
||||
"multiway_valve_2": "1"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_valve2_reaction_mixture",
|
||||
"source": "multiway_valve_2",
|
||||
"target": "reaction_mixture",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"multiway_valve_2": "2",
|
||||
"reaction_mixture": "inlet"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_valve2_centrifuge_tube",
|
||||
"source": "multiway_valve_2",
|
||||
"target": "centrifuge_tube",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"multiway_valve_2": "3",
|
||||
"centrifuge_tube": "inlet"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_valve2_collection",
|
||||
"source": "multiway_valve_2",
|
||||
"target": "collection_bottle_1",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"multiway_valve_2": "4",
|
||||
"collection_bottle_1": "inlet"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_valve2_waste",
|
||||
"source": "multiway_valve_2",
|
||||
"target": "waste_workup",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"multiway_valve_2": "5",
|
||||
"waste_workup": "inlet"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_centrifuge1_centrifuge_tube",
|
||||
"source": "centrifuge_1",
|
||||
"target": "centrifuge_tube",
|
||||
"type": "transport",
|
||||
"port": {
|
||||
"centrifuge_1": "centrifuge",
|
||||
"centrifuge_tube": "centrifuge_port"
|
||||
}
|
||||
}
|
||||
]
|
||||
}
|
||||
@@ -0,0 +1,446 @@
|
||||
{
|
||||
"nodes": [
|
||||
{
|
||||
"id": "CleanVesselProtocolTestStation",
|
||||
"name": "容器清洗协议测试站",
|
||||
"children": [
|
||||
"transfer_pump_1",
|
||||
"transfer_pump_2",
|
||||
"multiway_valve_1",
|
||||
"multiway_valve_2",
|
||||
"heatchill_1",
|
||||
"flask_water",
|
||||
"flask_acetone",
|
||||
"flask_ethanol",
|
||||
"flask_air",
|
||||
"main_reactor",
|
||||
"secondary_reactor",
|
||||
"waste_workup"
|
||||
],
|
||||
"parent": null,
|
||||
"type": "device",
|
||||
"class": "workstation",
|
||||
"position": {
|
||||
"x": 500,
|
||||
"y": 200,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"protocol_type": [
|
||||
"CleanVesselProtocol",
|
||||
"PumpTransferProtocol",
|
||||
"HeatChillProtocol",
|
||||
"HeatChillStartProtocol",
|
||||
"HeatChillStopProtocol"
|
||||
]
|
||||
},
|
||||
"data": {}
|
||||
},
|
||||
{
|
||||
"id": "transfer_pump_1",
|
||||
"name": "主清洗泵",
|
||||
"children": [],
|
||||
"parent": "CleanVesselProtocolTestStation",
|
||||
"type": "device",
|
||||
"class": "virtual_transfer_pump",
|
||||
"position": {
|
||||
"x": 250,
|
||||
"y": 300,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"port": "VIRTUAL_PUMP1",
|
||||
"max_volume": 25.0,
|
||||
"transfer_rate": 2.5
|
||||
},
|
||||
"data": {
|
||||
"position": 0.0,
|
||||
"status": "Idle"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "transfer_pump_2",
|
||||
"name": "副清洗泵",
|
||||
"children": [],
|
||||
"parent": "CleanVesselProtocolTestStation",
|
||||
"type": "device",
|
||||
"class": "virtual_transfer_pump",
|
||||
"position": {
|
||||
"x": 450,
|
||||
"y": 300,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"port": "VIRTUAL_PUMP2",
|
||||
"max_volume": 25.0,
|
||||
"transfer_rate": 2.5
|
||||
},
|
||||
"data": {
|
||||
"position": 0.0,
|
||||
"status": "Idle"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "multiway_valve_1",
|
||||
"name": "溶剂分配阀",
|
||||
"children": [],
|
||||
"parent": "CleanVesselProtocolTestStation",
|
||||
"type": "device",
|
||||
"class": "virtual_multiway_valve",
|
||||
"position": {
|
||||
"x": 250,
|
||||
"y": 400,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"port": "VIRTUAL_VALVE1",
|
||||
"positions": 8
|
||||
},
|
||||
"data": {
|
||||
"current_position": 1
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "multiway_valve_2",
|
||||
"name": "容器分配阀",
|
||||
"children": [],
|
||||
"parent": "CleanVesselProtocolTestStation",
|
||||
"type": "device",
|
||||
"class": "virtual_multiway_valve",
|
||||
"position": {
|
||||
"x": 450,
|
||||
"y": 400,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"port": "VIRTUAL_VALVE2",
|
||||
"positions": 8
|
||||
},
|
||||
"data": {
|
||||
"current_position": 1
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "heatchill_1",
|
||||
"name": "加热清洗器",
|
||||
"children": [],
|
||||
"parent": "CleanVesselProtocolTestStation",
|
||||
"type": "device",
|
||||
"class": "virtual_heatchill",
|
||||
"position": {
|
||||
"x": 600,
|
||||
"y": 350,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"port": "VIRTUAL_HEATCHILL1",
|
||||
"max_temp": 100.0,
|
||||
"min_temp": 10.0,
|
||||
"max_stir_speed": 500.0
|
||||
},
|
||||
"data": {
|
||||
"status": "Idle"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "flask_water",
|
||||
"name": "蒸馏水瓶",
|
||||
"children": [],
|
||||
"parent": "CleanVesselProtocolTestStation",
|
||||
"type": "container",
|
||||
"class": "container",
|
||||
"position": {
|
||||
"x": 50,
|
||||
"y": 500,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 1000.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": [
|
||||
{
|
||||
"liquid_type": "water",
|
||||
"liquid_volume": 900.0
|
||||
}
|
||||
]
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "flask_acetone",
|
||||
"name": "丙酮清洗瓶",
|
||||
"children": [],
|
||||
"parent": "CleanVesselProtocolTestStation",
|
||||
"type": "container",
|
||||
"class": "container",
|
||||
"position": {
|
||||
"x": 150,
|
||||
"y": 500,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 1000.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": [
|
||||
{
|
||||
"liquid_type": "acetone",
|
||||
"liquid_volume": 800.0
|
||||
}
|
||||
]
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "flask_ethanol",
|
||||
"name": "乙醇清洗瓶",
|
||||
"children": [],
|
||||
"parent": "CleanVesselProtocolTestStation",
|
||||
"type": "container",
|
||||
"class": "container",
|
||||
"position": {
|
||||
"x": 250,
|
||||
"y": 500,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 1000.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": [
|
||||
{
|
||||
"liquid_type": "ethanol",
|
||||
"liquid_volume": 800.0
|
||||
}
|
||||
]
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "flask_air",
|
||||
"name": "空气瓶",
|
||||
"children": [],
|
||||
"parent": "CleanVesselProtocolTestStation",
|
||||
"type": "container",
|
||||
"class": "container",
|
||||
"position": {
|
||||
"x": 350,
|
||||
"y": 500,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 1000.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": []
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "main_reactor",
|
||||
"name": "主反应器",
|
||||
"children": [],
|
||||
"parent": "CleanVesselProtocolTestStation",
|
||||
"type": "container",
|
||||
"class": "container",
|
||||
"position": {
|
||||
"x": 600,
|
||||
"y": 450,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 2000.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": [
|
||||
{
|
||||
"liquid_type": "residue",
|
||||
"liquid_volume": 50.0
|
||||
}
|
||||
]
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "secondary_reactor",
|
||||
"name": "副反应器",
|
||||
"children": [],
|
||||
"parent": "CleanVesselProtocolTestStation",
|
||||
"type": "container",
|
||||
"class": "container",
|
||||
"position": {
|
||||
"x": 800,
|
||||
"y": 450,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 1000.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": [
|
||||
{
|
||||
"liquid_type": "organic_residue",
|
||||
"liquid_volume": 30.0
|
||||
}
|
||||
]
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "waste_workup",
|
||||
"name": "清洗废液瓶",
|
||||
"children": [],
|
||||
"parent": "CleanVesselProtocolTestStation",
|
||||
"type": "container",
|
||||
"class": "container",
|
||||
"position": {
|
||||
"x": 700,
|
||||
"y": 550,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 3000.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": []
|
||||
}
|
||||
}
|
||||
],
|
||||
"links": [
|
||||
{
|
||||
"id": "link_pump1_to_valve1",
|
||||
"source": "transfer_pump_1",
|
||||
"target": "multiway_valve_1",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"transfer_pump_1": "transferpump",
|
||||
"multiway_valve_1": "transferpump"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_pump2_to_valve2",
|
||||
"source": "transfer_pump_2",
|
||||
"target": "multiway_valve_2",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"transfer_pump_2": "transferpump",
|
||||
"multiway_valve_2": "transferpump"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_valve1_to_water",
|
||||
"source": "multiway_valve_1",
|
||||
"target": "flask_water",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"multiway_valve_1": "2",
|
||||
"flask_water": "top"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_valve1_to_acetone",
|
||||
"source": "multiway_valve_1",
|
||||
"target": "flask_acetone",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"multiway_valve_1": "3",
|
||||
"flask_acetone": "top"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_valve1_to_ethanol",
|
||||
"source": "multiway_valve_1",
|
||||
"target": "flask_ethanol",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"multiway_valve_1": "4",
|
||||
"flask_ethanol": "top"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_valve1_to_air",
|
||||
"source": "multiway_valve_1",
|
||||
"target": "flask_air",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"multiway_valve_1": "6",
|
||||
"flask_air": "top"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_valve1_to_valve2_for_cleaning",
|
||||
"source": "multiway_valve_1",
|
||||
"target": "multiway_valve_2",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"multiway_valve_1": "1",
|
||||
"multiway_valve_2": "8"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_valve2_to_main_reactor_in",
|
||||
"source": "multiway_valve_2",
|
||||
"target": "main_reactor",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"multiway_valve_2": "2",
|
||||
"main_reactor": "top"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_valve2_to_secondary_reactor_in",
|
||||
"source": "multiway_valve_2",
|
||||
"target": "secondary_reactor",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"multiway_valve_2": "3",
|
||||
"secondary_reactor": "top"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_main_reactor_out_to_valve2",
|
||||
"source": "main_reactor",
|
||||
"target": "multiway_valve_2",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"main_reactor": "bottom",
|
||||
"multiway_valve_2": "6"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_secondary_reactor_out_to_valve2",
|
||||
"source": "secondary_reactor",
|
||||
"target": "multiway_valve_2",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"secondary_reactor": "bottom",
|
||||
"multiway_valve_2": "7"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_valve2_to_waste",
|
||||
"source": "multiway_valve_2",
|
||||
"target": "waste_workup",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"multiway_valve_2": "4",
|
||||
"waste_workup": "top"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_heatchill1_to_main_reactor",
|
||||
"source": "heatchill_1",
|
||||
"target": "main_reactor",
|
||||
"type": "mechanical",
|
||||
"port": {
|
||||
"heatchill_1": "heatchill",
|
||||
"main_reactor": "bind"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_heatchill1_to_secondary_reactor",
|
||||
"source": "heatchill_1",
|
||||
"target": "secondary_reactor",
|
||||
"type": "mechanical",
|
||||
"port": {
|
||||
"heatchill_1": "heatchill",
|
||||
"secondary_reactor": "bind"
|
||||
}
|
||||
}
|
||||
]
|
||||
}
|
||||
@@ -0,0 +1,367 @@
|
||||
{
|
||||
"nodes": [
|
||||
{
|
||||
"id": "DualValvePumpStation",
|
||||
"name": "双阀门泵站",
|
||||
"children": [
|
||||
"transfer_pump_1",
|
||||
"transfer_pump_2",
|
||||
"multiway_valve_1",
|
||||
"multiway_valve_2",
|
||||
"flask_DMF",
|
||||
"flask_ethyl_acetate",
|
||||
"flask_methanol",
|
||||
"flask_air",
|
||||
"main_reactor",
|
||||
"waste_workup",
|
||||
"collection_bottle_1"
|
||||
],
|
||||
"parent": null,
|
||||
"type": "device",
|
||||
"class": "workstation",
|
||||
"position": {
|
||||
"x": 500,
|
||||
"y": 200,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"protocol_type": ["PumpTransferProtocol"]
|
||||
},
|
||||
"data": {}
|
||||
},
|
||||
{
|
||||
"id": "transfer_pump_1",
|
||||
"name": "转移泵1",
|
||||
"children": [],
|
||||
"parent": "DualValvePumpStation",
|
||||
"type": "device",
|
||||
"class": "virtual_transfer_pump",
|
||||
"position": {
|
||||
"x": 300,
|
||||
"y": 300,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"port": "VIRTUAL_PUMP1",
|
||||
"max_volume": 25.0,
|
||||
"transfer_rate": 5.0
|
||||
},
|
||||
"data": {
|
||||
"position": 0.0,
|
||||
"status": "Idle"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "transfer_pump_2",
|
||||
"name": "转移泵2",
|
||||
"children": [],
|
||||
"parent": "DualValvePumpStation",
|
||||
"type": "device",
|
||||
"class": "virtual_transfer_pump",
|
||||
"position": {
|
||||
"x": 700,
|
||||
"y": 300,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"port": "VIRTUAL_PUMP2",
|
||||
"max_volume": 25.0,
|
||||
"transfer_rate": 5.0
|
||||
},
|
||||
"data": {
|
||||
"position": 0.0,
|
||||
"status": "Idle"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "multiway_valve_1",
|
||||
"name": "第一个八通阀",
|
||||
"children": [],
|
||||
"parent": "DualValvePumpStation",
|
||||
"type": "device",
|
||||
"class": "virtual_multiway_valve",
|
||||
"position": {
|
||||
"x": 300,
|
||||
"y": 400,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"port": "VIRTUAL_VALVE1",
|
||||
"positions": 8
|
||||
},
|
||||
"data": {
|
||||
"current_position": 1
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "multiway_valve_2",
|
||||
"name": "第二个八通阀",
|
||||
"children": [],
|
||||
"parent": "DualValvePumpStation",
|
||||
"type": "device",
|
||||
"class": "virtual_multiway_valve",
|
||||
"position": {
|
||||
"x": 700,
|
||||
"y": 400,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"port": "VIRTUAL_VALVE2",
|
||||
"positions": 8
|
||||
},
|
||||
"data": {
|
||||
"current_position": 1
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "flask_DMF",
|
||||
"name": "DMF试剂瓶",
|
||||
"children": [],
|
||||
"parent": "DualValvePumpStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 100,
|
||||
"y": 500,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 1000.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": [
|
||||
{
|
||||
"liquid_type": "DMF",
|
||||
"liquid_volume": 800.0
|
||||
}
|
||||
]
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "flask_ethyl_acetate",
|
||||
"name": "乙酸乙酯试剂瓶",
|
||||
"children": [],
|
||||
"parent": "DualValvePumpStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 200,
|
||||
"y": 500,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 1000.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": [
|
||||
{
|
||||
"liquid_type": "ethyl_acetate",
|
||||
"liquid_volume": 800.0
|
||||
}
|
||||
]
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "flask_methanol",
|
||||
"name": "甲醇试剂瓶",
|
||||
"children": [],
|
||||
"parent": "DualValvePumpStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 300,
|
||||
"y": 500,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 1000.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": [
|
||||
{
|
||||
"liquid_type": "methanol",
|
||||
"liquid_volume": 800.0
|
||||
}
|
||||
]
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "flask_air",
|
||||
"name": "空气瓶",
|
||||
"children": [],
|
||||
"parent": "DualValvePumpStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 400,
|
||||
"y": 500,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 1000.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": []
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "main_reactor",
|
||||
"name": "主反应器",
|
||||
"children": [],
|
||||
"parent": "DualValvePumpStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 600,
|
||||
"y": 500,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 2000.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": []
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "waste_workup",
|
||||
"name": "废液处理瓶",
|
||||
"children": [],
|
||||
"parent": "DualValvePumpStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 700,
|
||||
"y": 500,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 2000.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": []
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "collection_bottle_1",
|
||||
"name": "收集瓶1",
|
||||
"children": [],
|
||||
"parent": "DualValvePumpStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 800,
|
||||
"y": 500,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 1000.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": []
|
||||
}
|
||||
}
|
||||
],
|
||||
"links": [
|
||||
{
|
||||
"id": "link_pump1_valve1",
|
||||
"source": "transfer_pump_1",
|
||||
"target": "multiway_valve_1",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"transfer_pump_1": "transferpump",
|
||||
"multiway_valve_1": "transferpump"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_pump2_valve2",
|
||||
"source": "transfer_pump_2",
|
||||
"target": "multiway_valve_2",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"transfer_pump_2": "transferpump",
|
||||
"multiway_valve_2": "transferpump"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_valve1_valve2",
|
||||
"source": "multiway_valve_1",
|
||||
"target": "multiway_valve_2",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"multiway_valve_1": "8",
|
||||
"multiway_valve_2": "1"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_valve1_air",
|
||||
"source": "multiway_valve_1",
|
||||
"target": "flask_air",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"multiway_valve_1": "1",
|
||||
"flask_air": "top"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_valve1_DMF",
|
||||
"source": "multiway_valve_1",
|
||||
"target": "flask_DMF",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"multiway_valve_1": "2",
|
||||
"flask_DMF": "outlet"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_valve1_ethyl_acetate",
|
||||
"source": "multiway_valve_1",
|
||||
"target": "flask_ethyl_acetate",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"multiway_valve_1": "3",
|
||||
"flask_ethyl_acetate": "outlet"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_valve1_methanol",
|
||||
"source": "multiway_valve_1",
|
||||
"target": "flask_methanol",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"multiway_valve_1": "4",
|
||||
"flask_methanol": "outlet"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_valve2_reactor",
|
||||
"source": "multiway_valve_2",
|
||||
"target": "main_reactor",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"multiway_valve_2": "5",
|
||||
"main_reactor": "inlet"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_valve2_waste",
|
||||
"source": "multiway_valve_2",
|
||||
"target": "waste_workup",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"multiway_valve_2": "6",
|
||||
"waste_workup": "inlet"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_valve2_collection",
|
||||
"source": "multiway_valve_2",
|
||||
"target": "collection_bottle_1",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"multiway_valve_2": "7",
|
||||
"collection_bottle_1": "inlet"
|
||||
}
|
||||
}
|
||||
]
|
||||
}
|
||||
@@ -0,0 +1,557 @@
|
||||
{
|
||||
"nodes": [
|
||||
{
|
||||
"id": "EvacuateRefillTestStation",
|
||||
"name": "抽真空充气测试站",
|
||||
"children": [
|
||||
"transfer_pump_1",
|
||||
"transfer_pump_2",
|
||||
"multiway_valve_1",
|
||||
"multiway_valve_2",
|
||||
"flask_DMF",
|
||||
"flask_ethyl_acetate",
|
||||
"flask_methanol",
|
||||
"flask_air",
|
||||
"vacuum_pump_1",
|
||||
"gas_source_nitrogen",
|
||||
"gas_source_air",
|
||||
"solenoid_valve_vacuum",
|
||||
"solenoid_valve_gas",
|
||||
"main_reactor",
|
||||
"stirrer_1",
|
||||
"waste_workup",
|
||||
"collection_bottle_1"
|
||||
],
|
||||
"parent": null,
|
||||
"type": "device",
|
||||
"class": "workstation",
|
||||
"position": {
|
||||
"x": 500,
|
||||
"y": 200,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"protocol_type": ["PumpTransferProtocol", "EvacuateAndRefillProtocol"]
|
||||
},
|
||||
"data": {}
|
||||
},
|
||||
{
|
||||
"id": "transfer_pump_1",
|
||||
"name": "转移泵1",
|
||||
"children": [],
|
||||
"parent": "EvacuateRefillTestStation",
|
||||
"type": "device",
|
||||
"class": "virtual_transfer_pump",
|
||||
"position": {
|
||||
"x": 300,
|
||||
"y": 300,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"port": "VIRTUAL_PUMP1",
|
||||
"max_volume": 25.0,
|
||||
"transfer_rate": 5.0
|
||||
},
|
||||
"data": {
|
||||
"position": 0.0,
|
||||
"status": "Idle"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "transfer_pump_2",
|
||||
"name": "转移泵2",
|
||||
"children": [],
|
||||
"parent": "EvacuateRefillTestStation",
|
||||
"type": "device",
|
||||
"class": "virtual_transfer_pump",
|
||||
"position": {
|
||||
"x": 700,
|
||||
"y": 300,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"port": "VIRTUAL_PUMP2",
|
||||
"max_volume": 25.0,
|
||||
"transfer_rate": 5.0
|
||||
},
|
||||
"data": {
|
||||
"position": 0.0,
|
||||
"status": "Idle"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "multiway_valve_1",
|
||||
"name": "第一个八通阀",
|
||||
"children": [],
|
||||
"parent": "EvacuateRefillTestStation",
|
||||
"type": "device",
|
||||
"class": "virtual_multiway_valve",
|
||||
"position": {
|
||||
"x": 300,
|
||||
"y": 400,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"port": "VIRTUAL_VALVE1",
|
||||
"positions": 8
|
||||
},
|
||||
"data": {
|
||||
"current_position": 1
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "multiway_valve_2",
|
||||
"name": "第二个八通阀",
|
||||
"children": [],
|
||||
"parent": "EvacuateRefillTestStation",
|
||||
"type": "device",
|
||||
"class": "virtual_multiway_valve",
|
||||
"position": {
|
||||
"x": 700,
|
||||
"y": 400,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"port": "VIRTUAL_VALVE2",
|
||||
"positions": 8
|
||||
},
|
||||
"data": {
|
||||
"current_position": 1
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "vacuum_pump_1",
|
||||
"name": "真空泵1",
|
||||
"children": [],
|
||||
"parent": "EvacuateRefillTestStation",
|
||||
"type": "device",
|
||||
"class": "virtual_vacuum_pump",
|
||||
"position": {
|
||||
"x": 150,
|
||||
"y": 200,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"port": "VIRTUAL_VACUUM1",
|
||||
"max_pressure": -0.9
|
||||
},
|
||||
"data": {
|
||||
"status": "OFF",
|
||||
"pressure": 0.0
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "gas_source_nitrogen",
|
||||
"name": "氮气源",
|
||||
"children": [],
|
||||
"parent": "EvacuateRefillTestStation",
|
||||
"type": "device",
|
||||
"class": "virtual_gas_source",
|
||||
"position": {
|
||||
"x": 850,
|
||||
"y": 200,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"port": "VIRTUAL_GAS_N2",
|
||||
"gas_type": "nitrogen",
|
||||
"max_pressure": 5.0
|
||||
},
|
||||
"data": {
|
||||
"status": "OFF",
|
||||
"flow_rate": 0.0
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "gas_source_air",
|
||||
"name": "空气源",
|
||||
"children": [],
|
||||
"parent": "EvacuateRefillTestStation",
|
||||
"type": "device",
|
||||
"class": "virtual_gas_source",
|
||||
"position": {
|
||||
"x": 950,
|
||||
"y": 200,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"port": "VIRTUAL_GAS_AIR",
|
||||
"gas_type": "air",
|
||||
"max_pressure": 3.0
|
||||
},
|
||||
"data": {
|
||||
"status": "OFF",
|
||||
"flow_rate": 0.0
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "solenoid_valve_vacuum",
|
||||
"name": "真空电磁阀",
|
||||
"children": [],
|
||||
"parent": "EvacuateRefillTestStation",
|
||||
"type": "device",
|
||||
"class": "virtual_solenoid_valve",
|
||||
"position": {
|
||||
"x": 225,
|
||||
"y": 300,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"port": "VIRTUAL_SOLENOID_VACUUM"
|
||||
},
|
||||
"data": {
|
||||
"valve_position": "CLOSED"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "solenoid_valve_gas",
|
||||
"name": "气源电磁阀",
|
||||
"children": [],
|
||||
"parent": "EvacuateRefillTestStation",
|
||||
"type": "device",
|
||||
"class": "virtual_solenoid_valve",
|
||||
"position": {
|
||||
"x": 775,
|
||||
"y": 300,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"port": "VIRTUAL_SOLENOID_GAS"
|
||||
},
|
||||
"data": {
|
||||
"valve_position": "CLOSED"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "flask_DMF",
|
||||
"name": "DMF试剂瓶",
|
||||
"children": [],
|
||||
"parent": "EvacuateRefillTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 100,
|
||||
"y": 500,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 1000.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": [
|
||||
{
|
||||
"liquid_type": "DMF",
|
||||
"liquid_volume": 800.0
|
||||
}
|
||||
]
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "flask_ethyl_acetate",
|
||||
"name": "乙酸乙酯试剂瓶",
|
||||
"children": [],
|
||||
"parent": "EvacuateRefillTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 200,
|
||||
"y": 500,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 1000.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": [
|
||||
{
|
||||
"liquid_type": "ethyl_acetate",
|
||||
"liquid_volume": 800.0
|
||||
}
|
||||
]
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "flask_methanol",
|
||||
"name": "甲醇试剂瓶",
|
||||
"children": [],
|
||||
"parent": "EvacuateRefillTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 300,
|
||||
"y": 500,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 1000.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": [
|
||||
{
|
||||
"liquid_type": "methanol",
|
||||
"liquid_volume": 800.0
|
||||
}
|
||||
]
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "flask_air",
|
||||
"name": "空气瓶",
|
||||
"children": [],
|
||||
"parent": "EvacuateRefillTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 400,
|
||||
"y": 500,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 1000.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": []
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "main_reactor",
|
||||
"name": "主反应器",
|
||||
"children": [],
|
||||
"parent": "EvacuateRefillTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 600,
|
||||
"y": 500,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 2000.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": []
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "stirrer_1",
|
||||
"name": "搅拌器1",
|
||||
"children": [],
|
||||
"parent": "EvacuateRefillTestStation",
|
||||
"type": "device",
|
||||
"class": "virtual_stirrer",
|
||||
"position": {
|
||||
"x": 600,
|
||||
"y": 450,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"port": "VIRTUAL_STIRRER1",
|
||||
"max_speed": 1500.0
|
||||
},
|
||||
"data": {
|
||||
"speed": 0.0,
|
||||
"status": "OFF"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "waste_workup",
|
||||
"name": "废液处理瓶",
|
||||
"children": [],
|
||||
"parent": "EvacuateRefillTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 700,
|
||||
"y": 500,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 2000.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": []
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "collection_bottle_1",
|
||||
"name": "收集瓶1",
|
||||
"children": [],
|
||||
"parent": "EvacuateRefillTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 800,
|
||||
"y": 500,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 1000.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": []
|
||||
}
|
||||
}
|
||||
],
|
||||
"links": [
|
||||
{
|
||||
"id": "link_pump1_valve1",
|
||||
"source": "transfer_pump_1",
|
||||
"target": "multiway_valve_1",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"transfer_pump_1": "transferpump",
|
||||
"multiway_valve_1": "transferpump"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_pump2_valve2",
|
||||
"source": "transfer_pump_2",
|
||||
"target": "multiway_valve_2",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"transfer_pump_2": "transferpump",
|
||||
"multiway_valve_2": "transferpump"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_valve1_valve2",
|
||||
"source": "multiway_valve_1",
|
||||
"target": "multiway_valve_2",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"multiway_valve_1": "8",
|
||||
"multiway_valve_2": "1"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_vacuum_solenoid",
|
||||
"source": "vacuum_pump_1",
|
||||
"target": "solenoid_valve_vacuum",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"vacuum_pump_1": "outlet",
|
||||
"solenoid_valve_vacuum": "inlet"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_solenoid_vacuum_valve1",
|
||||
"source": "solenoid_valve_vacuum",
|
||||
"target": "multiway_valve_1",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"solenoid_valve_vacuum": "outlet",
|
||||
"multiway_valve_1": "7"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_gas_solenoid",
|
||||
"source": "gas_source_nitrogen",
|
||||
"target": "solenoid_valve_gas",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"gas_source_nitrogen": "outlet",
|
||||
"solenoid_valve_gas": "inlet"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_solenoid_gas_valve2",
|
||||
"source": "solenoid_valve_gas",
|
||||
"target": "multiway_valve_2",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"solenoid_valve_gas": "outlet",
|
||||
"multiway_valve_2": "8"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_air_source_valve2",
|
||||
"source": "gas_source_air",
|
||||
"target": "multiway_valve_2",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"gas_source_air": "outlet",
|
||||
"multiway_valve_2": "2"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_valve1_air",
|
||||
"source": "multiway_valve_1",
|
||||
"target": "flask_air",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"multiway_valve_1": "1",
|
||||
"flask_air": "top"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_valve1_DMF",
|
||||
"source": "multiway_valve_1",
|
||||
"target": "flask_DMF",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"multiway_valve_1": "2",
|
||||
"flask_DMF": "outlet"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_valve1_ethyl_acetate",
|
||||
"source": "multiway_valve_1",
|
||||
"target": "flask_ethyl_acetate",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"multiway_valve_1": "3",
|
||||
"flask_ethyl_acetate": "outlet"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_valve1_methanol",
|
||||
"source": "multiway_valve_1",
|
||||
"target": "flask_methanol",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"multiway_valve_1": "4",
|
||||
"flask_methanol": "outlet"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_valve2_reactor",
|
||||
"source": "multiway_valve_2",
|
||||
"target": "main_reactor",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"multiway_valve_2": "5",
|
||||
"main_reactor": "inlet"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_valve2_waste",
|
||||
"source": "multiway_valve_2",
|
||||
"target": "waste_workup",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"multiway_valve_2": "6",
|
||||
"waste_workup": "inlet"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_valve2_collection",
|
||||
"source": "multiway_valve_2",
|
||||
"target": "collection_bottle_1",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"multiway_valve_2": "7",
|
||||
"collection_bottle_1": "inlet"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_stirrer_reactor",
|
||||
"source": "stirrer_1",
|
||||
"target": "main_reactor",
|
||||
"type": "mechanical",
|
||||
"port": {
|
||||
"stirrer_1": "stirrer",
|
||||
"main_reactor": "stirrer"
|
||||
}
|
||||
}
|
||||
]
|
||||
}
|
||||
@@ -0,0 +1,503 @@
|
||||
{
|
||||
"nodes": [
|
||||
{
|
||||
"id": "EvaporateProtocolTestStation",
|
||||
"name": "蒸发协议测试站",
|
||||
"children": [
|
||||
"transfer_pump_1",
|
||||
"transfer_pump_2",
|
||||
"multiway_valve_1",
|
||||
"multiway_valve_2",
|
||||
"rotavap_1",
|
||||
"heatchill_1",
|
||||
"reaction_mixture",
|
||||
"rotavap_flask",
|
||||
"rotavap_condenser",
|
||||
"flask_distillate",
|
||||
"flask_ethanol",
|
||||
"flask_acetone",
|
||||
"flask_water",
|
||||
"flask_air",
|
||||
"waste_workup"
|
||||
],
|
||||
"parent": null,
|
||||
"type": "device",
|
||||
"class": "workstation",
|
||||
"position": {
|
||||
"x": 500,
|
||||
"y": 200,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"protocol_type": [
|
||||
"EvaporateProtocol",
|
||||
"PumpTransferProtocol",
|
||||
"HeatChillProtocol",
|
||||
"HeatChillStartProtocol",
|
||||
"HeatChillStopProtocol"
|
||||
]
|
||||
},
|
||||
"data": {}
|
||||
},
|
||||
{
|
||||
"id": "transfer_pump_1",
|
||||
"name": "主转移泵",
|
||||
"children": [],
|
||||
"parent": "EvaporateProtocolTestStation",
|
||||
"type": "device",
|
||||
"class": "virtual_transfer_pump",
|
||||
"position": {
|
||||
"x": 200,
|
||||
"y": 300,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"port": "VIRTUAL_PUMP1",
|
||||
"max_volume": 25.0,
|
||||
"transfer_rate": 2.5
|
||||
},
|
||||
"data": {
|
||||
"position": 0.0,
|
||||
"status": "Idle"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "transfer_pump_2",
|
||||
"name": "副转移泵",
|
||||
"children": [],
|
||||
"parent": "EvaporateProtocolTestStation",
|
||||
"type": "device",
|
||||
"class": "virtual_transfer_pump",
|
||||
"position": {
|
||||
"x": 400,
|
||||
"y": 300,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"port": "VIRTUAL_PUMP2",
|
||||
"max_volume": 25.0,
|
||||
"transfer_rate": 2.5
|
||||
},
|
||||
"data": {
|
||||
"position": 0.0,
|
||||
"status": "Idle"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "multiway_valve_1",
|
||||
"name": "溶剂分配阀",
|
||||
"children": [],
|
||||
"parent": "EvaporateProtocolTestStation",
|
||||
"type": "device",
|
||||
"class": "virtual_multiway_valve",
|
||||
"position": {
|
||||
"x": 200,
|
||||
"y": 400,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"port": "VIRTUAL_VALVE1",
|
||||
"positions": 8
|
||||
},
|
||||
"data": {
|
||||
"current_position": 1
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "multiway_valve_2",
|
||||
"name": "容器分配阀",
|
||||
"children": [],
|
||||
"parent": "EvaporateProtocolTestStation",
|
||||
"type": "device",
|
||||
"class": "virtual_multiway_valve",
|
||||
"position": {
|
||||
"x": 400,
|
||||
"y": 400,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"port": "VIRTUAL_VALVE2",
|
||||
"positions": 8
|
||||
},
|
||||
"data": {
|
||||
"current_position": 1
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "rotavap_1",
|
||||
"name": "旋转蒸发仪",
|
||||
"children": [],
|
||||
"parent": "EvaporateProtocolTestStation",
|
||||
"type": "device",
|
||||
"class": "virtual_rotavap",
|
||||
"position": {
|
||||
"x": 700,
|
||||
"y": 350,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"port": "VIRTUAL_ROTAVAP1",
|
||||
"max_temp": 180.0,
|
||||
"max_rotation_speed": 280.0
|
||||
},
|
||||
"data": {
|
||||
"status": "Ready"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "heatchill_1",
|
||||
"name": "预加热器",
|
||||
"children": [],
|
||||
"parent": "EvaporateProtocolTestStation",
|
||||
"type": "device",
|
||||
"class": "virtual_heatchill",
|
||||
"position": {
|
||||
"x": 100,
|
||||
"y": 550,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"port": "VIRTUAL_HEATCHILL1",
|
||||
"max_temp": 100.0,
|
||||
"min_temp": 10.0,
|
||||
"max_stir_speed": 500.0
|
||||
},
|
||||
"data": {
|
||||
"status": "Idle"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "reaction_mixture",
|
||||
"name": "反应混合物",
|
||||
"children": [],
|
||||
"parent": "EvaporateProtocolTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 100,
|
||||
"y": 450,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 1000.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": [
|
||||
{
|
||||
"liquid_type": "reaction_mixture",
|
||||
"liquid_volume": 600.0
|
||||
}
|
||||
]
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "rotavap_flask",
|
||||
"name": "旋蒸样品瓶",
|
||||
"children": [],
|
||||
"parent": "EvaporateProtocolTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 700,
|
||||
"y": 450,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 500.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": []
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "rotavap_condenser",
|
||||
"name": "旋蒸冷凝器",
|
||||
"children": [],
|
||||
"parent": "EvaporateProtocolTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 800,
|
||||
"y": 350,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 500.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": []
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "flask_distillate",
|
||||
"name": "溶剂回收瓶",
|
||||
"children": [],
|
||||
"parent": "EvaporateProtocolTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 800,
|
||||
"y": 450,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 1000.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": []
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "flask_ethanol",
|
||||
"name": "乙醇清洗瓶",
|
||||
"children": [],
|
||||
"parent": "EvaporateProtocolTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 50,
|
||||
"y": 600,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 1000.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": [
|
||||
{
|
||||
"liquid_type": "ethanol",
|
||||
"liquid_volume": 800.0
|
||||
}
|
||||
]
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "flask_acetone",
|
||||
"name": "丙酮清洗瓶",
|
||||
"children": [],
|
||||
"parent": "EvaporateProtocolTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 150,
|
||||
"y": 600,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 1000.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": [
|
||||
{
|
||||
"liquid_type": "acetone",
|
||||
"liquid_volume": 800.0
|
||||
}
|
||||
]
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "flask_water",
|
||||
"name": "蒸馏水瓶",
|
||||
"children": [],
|
||||
"parent": "EvaporateProtocolTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 250,
|
||||
"y": 600,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 1000.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": [
|
||||
{
|
||||
"liquid_type": "water",
|
||||
"liquid_volume": 900.0
|
||||
}
|
||||
]
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "flask_air",
|
||||
"name": "空气瓶",
|
||||
"children": [],
|
||||
"parent": "EvaporateProtocolTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 350,
|
||||
"y": 600,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 1000.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": []
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "waste_workup",
|
||||
"name": "废液瓶",
|
||||
"children": [],
|
||||
"parent": "EvaporateProtocolTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 600,
|
||||
"y": 550,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 3000.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": []
|
||||
}
|
||||
}
|
||||
],
|
||||
"links": [
|
||||
{
|
||||
"id": "link_pump1_valve1",
|
||||
"source": "transfer_pump_1",
|
||||
"target": "multiway_valve_1",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"transfer_pump_1": "transferpump",
|
||||
"multiway_valve_1": "transferpump"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_pump2_valve2",
|
||||
"source": "transfer_pump_2",
|
||||
"target": "multiway_valve_2",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"transfer_pump_2": "transferpump",
|
||||
"multiway_valve_2": "transferpump"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_valve1_air",
|
||||
"source": "multiway_valve_1",
|
||||
"target": "flask_air",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"multiway_valve_1": "1",
|
||||
"flask_air": "top"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_valve1_ethanol",
|
||||
"source": "multiway_valve_1",
|
||||
"target": "flask_ethanol",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"multiway_valve_1": "2",
|
||||
"flask_ethanol": "outlet"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_valve1_acetone",
|
||||
"source": "multiway_valve_1",
|
||||
"target": "flask_acetone",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"multiway_valve_1": "3",
|
||||
"flask_acetone": "outlet"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_valve1_water",
|
||||
"source": "multiway_valve_1",
|
||||
"target": "flask_water",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"multiway_valve_1": "4",
|
||||
"flask_water": "outlet"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_valve1_valve2",
|
||||
"source": "multiway_valve_1",
|
||||
"target": "multiway_valve_2",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"multiway_valve_1": "5",
|
||||
"multiway_valve_2": "1"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_valve2_reaction_mixture",
|
||||
"source": "multiway_valve_2",
|
||||
"target": "reaction_mixture",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"multiway_valve_2": "2",
|
||||
"reaction_mixture": "inlet"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_valve2_rotavap_flask",
|
||||
"source": "multiway_valve_2",
|
||||
"target": "rotavap_flask",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"multiway_valve_2": "3",
|
||||
"rotavap_flask": "inlet"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_valve2_rotavap_condenser",
|
||||
"source": "multiway_valve_2",
|
||||
"target": "rotavap_condenser",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"multiway_valve_2": "4",
|
||||
"rotavap_condenser": "inlet"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_valve2_distillate",
|
||||
"source": "multiway_valve_2",
|
||||
"target": "flask_distillate",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"multiway_valve_2": "5",
|
||||
"flask_distillate": "inlet"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_valve2_waste",
|
||||
"source": "multiway_valve_2",
|
||||
"target": "waste_workup",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"multiway_valve_2": "6",
|
||||
"waste_workup": "inlet"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_rotavap1_rotavap_flask",
|
||||
"source": "rotavap_1",
|
||||
"target": "rotavap_flask",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"rotavap_1": "rotavap-sample",
|
||||
"rotavap_flask": "rotavap_port"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_heatchill1_reaction_mixture",
|
||||
"source": "heatchill_1",
|
||||
"target": "reaction_mixture",
|
||||
"type": "mechanical",
|
||||
"port": {
|
||||
"heatchill_1": "heatchill",
|
||||
"reaction_mixture": "heating_jacket"
|
||||
}
|
||||
}
|
||||
]
|
||||
}
|
||||
@@ -0,0 +1,534 @@
|
||||
{
|
||||
"nodes": [
|
||||
{
|
||||
"id": "FilterProtocolTestStation",
|
||||
"name": "过滤协议测试站",
|
||||
"children": [
|
||||
"transfer_pump_1",
|
||||
"transfer_pump_2",
|
||||
"multiway_valve_1",
|
||||
"multiway_valve_2",
|
||||
"filter_1",
|
||||
"heatchill_1",
|
||||
"reaction_mixture",
|
||||
"filter_vessel",
|
||||
"filtrate_vessel",
|
||||
"collection_bottle_1",
|
||||
"collection_bottle_2",
|
||||
"flask_water",
|
||||
"flask_ethanol",
|
||||
"flask_acetone",
|
||||
"flask_air",
|
||||
"waste_workup"
|
||||
],
|
||||
"parent": null,
|
||||
"type": "device",
|
||||
"class": "workstation",
|
||||
"position": {
|
||||
"x": 500,
|
||||
"y": 200,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"protocol_type": [
|
||||
"FilterProtocol",
|
||||
"PumpTransferProtocol",
|
||||
"HeatChillProtocol",
|
||||
"HeatChillStartProtocol",
|
||||
"HeatChillStopProtocol"
|
||||
]
|
||||
},
|
||||
"data": {}
|
||||
},
|
||||
{
|
||||
"id": "transfer_pump_1",
|
||||
"name": "主转移泵",
|
||||
"children": [],
|
||||
"parent": "FilterProtocolTestStation",
|
||||
"type": "device",
|
||||
"class": "virtual_transfer_pump",
|
||||
"position": {
|
||||
"x": 200,
|
||||
"y": 300,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"port": "VIRTUAL_PUMP1",
|
||||
"max_volume": 25.0,
|
||||
"transfer_rate": 2.0
|
||||
},
|
||||
"data": {
|
||||
"position": 0.0,
|
||||
"status": "Idle"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "transfer_pump_2",
|
||||
"name": "副转移泵",
|
||||
"children": [],
|
||||
"parent": "FilterProtocolTestStation",
|
||||
"type": "device",
|
||||
"class": "virtual_transfer_pump",
|
||||
"position": {
|
||||
"x": 400,
|
||||
"y": 300,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"port": "VIRTUAL_PUMP2",
|
||||
"max_volume": 25.0,
|
||||
"transfer_rate": 2.0
|
||||
},
|
||||
"data": {
|
||||
"position": 0.0,
|
||||
"status": "Idle"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "multiway_valve_1",
|
||||
"name": "溶剂分配阀",
|
||||
"children": [],
|
||||
"parent": "FilterProtocolTestStation",
|
||||
"type": "device",
|
||||
"class": "virtual_multiway_valve",
|
||||
"position": {
|
||||
"x": 200,
|
||||
"y": 400,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"port": "VIRTUAL_VALVE1",
|
||||
"positions": 8
|
||||
},
|
||||
"data": {
|
||||
"current_position": 1
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "multiway_valve_2",
|
||||
"name": "样品分配阀",
|
||||
"children": [],
|
||||
"parent": "FilterProtocolTestStation",
|
||||
"type": "device",
|
||||
"class": "virtual_multiway_valve",
|
||||
"position": {
|
||||
"x": 400,
|
||||
"y": 400,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"port": "VIRTUAL_VALVE2",
|
||||
"positions": 8
|
||||
},
|
||||
"data": {
|
||||
"current_position": 1
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "filter_1",
|
||||
"name": "过滤器",
|
||||
"children": [],
|
||||
"parent": "FilterProtocolTestStation",
|
||||
"type": "device",
|
||||
"class": "virtual_filter",
|
||||
"position": {
|
||||
"x": 600,
|
||||
"y": 350,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"port": "VIRTUAL_FILTER1",
|
||||
"max_temp": 100.0,
|
||||
"max_stir_speed": 1000.0,
|
||||
"max_volume": 500.0
|
||||
},
|
||||
"data": {
|
||||
"status": "Idle"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "heatchill_1",
|
||||
"name": "加热搅拌器",
|
||||
"children": [],
|
||||
"parent": "FilterProtocolTestStation",
|
||||
"type": "device",
|
||||
"class": "virtual_heatchill",
|
||||
"position": {
|
||||
"x": 600,
|
||||
"y": 450,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"port": "VIRTUAL_HEATCHILL1",
|
||||
"max_temp": 100.0,
|
||||
"min_temp": 4.0,
|
||||
"max_stir_speed": 1000.0
|
||||
},
|
||||
"data": {
|
||||
"status": "Idle"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "reaction_mixture",
|
||||
"name": "反应混合物",
|
||||
"children": [],
|
||||
"parent": "FilterProtocolTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 100,
|
||||
"y": 500,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 1000.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": [
|
||||
{
|
||||
"liquid_type": "cell_suspension",
|
||||
"liquid_volume": 200.0
|
||||
}
|
||||
]
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "filter_vessel",
|
||||
"name": "过滤器容器",
|
||||
"children": [],
|
||||
"parent": "FilterProtocolTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 600,
|
||||
"y": 550,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 500.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": []
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "filtrate_vessel",
|
||||
"name": "滤液收集容器",
|
||||
"children": [],
|
||||
"parent": "FilterProtocolTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 700,
|
||||
"y": 500,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 500.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": []
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "collection_bottle_1",
|
||||
"name": "收集瓶1",
|
||||
"children": [],
|
||||
"parent": "FilterProtocolTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 800,
|
||||
"y": 500,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 1000.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": []
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "collection_bottle_2",
|
||||
"name": "收集瓶2",
|
||||
"children": [],
|
||||
"parent": "FilterProtocolTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 900,
|
||||
"y": 500,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 1000.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": []
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "flask_water",
|
||||
"name": "蒸馏水瓶",
|
||||
"children": [],
|
||||
"parent": "FilterProtocolTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 200,
|
||||
"y": 600,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 1000.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": [
|
||||
{
|
||||
"liquid_type": "water",
|
||||
"liquid_volume": 900.0
|
||||
}
|
||||
]
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "flask_ethanol",
|
||||
"name": "乙醇清洗瓶",
|
||||
"children": [],
|
||||
"parent": "FilterProtocolTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 300,
|
||||
"y": 600,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 1000.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": [
|
||||
{
|
||||
"liquid_type": "ethanol",
|
||||
"liquid_volume": 800.0
|
||||
}
|
||||
]
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "flask_acetone",
|
||||
"name": "丙酮清洗瓶",
|
||||
"children": [],
|
||||
"parent": "FilterProtocolTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 400,
|
||||
"y": 600,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 1000.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": [
|
||||
{
|
||||
"liquid_type": "acetone",
|
||||
"liquid_volume": 800.0
|
||||
}
|
||||
]
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "flask_air",
|
||||
"name": "空气瓶",
|
||||
"children": [],
|
||||
"parent": "FilterProtocolTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 100,
|
||||
"y": 600,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 1000.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": []
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "waste_workup",
|
||||
"name": "废液瓶",
|
||||
"children": [],
|
||||
"parent": "FilterProtocolTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 800,
|
||||
"y": 600,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 2000.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": []
|
||||
}
|
||||
}
|
||||
],
|
||||
"links": [
|
||||
{
|
||||
"id": "link_pump1_valve1",
|
||||
"source": "transfer_pump_1",
|
||||
"target": "multiway_valve_1",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"transfer_pump_1": "transferpump",
|
||||
"multiway_valve_1": "transferpump"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_pump2_valve2",
|
||||
"source": "transfer_pump_2",
|
||||
"target": "multiway_valve_2",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"transfer_pump_2": "transferpump",
|
||||
"multiway_valve_2": "transferpump"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_valve1_air",
|
||||
"source": "multiway_valve_1",
|
||||
"target": "flask_air",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"multiway_valve_1": "1",
|
||||
"flask_air": "top"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_valve1_water",
|
||||
"source": "multiway_valve_1",
|
||||
"target": "flask_water",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"multiway_valve_1": "2",
|
||||
"flask_water": "outlet"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_valve1_ethanol",
|
||||
"source": "multiway_valve_1",
|
||||
"target": "flask_ethanol",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"multiway_valve_1": "3",
|
||||
"flask_ethanol": "outlet"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_valve1_acetone",
|
||||
"source": "multiway_valve_1",
|
||||
"target": "flask_acetone",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"multiway_valve_1": "4",
|
||||
"flask_acetone": "outlet"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_valve1_valve2",
|
||||
"source": "multiway_valve_1",
|
||||
"target": "multiway_valve_2",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"multiway_valve_1": "5",
|
||||
"multiway_valve_2": "1"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_valve2_reaction_mixture",
|
||||
"source": "multiway_valve_2",
|
||||
"target": "reaction_mixture",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"multiway_valve_2": "2",
|
||||
"reaction_mixture": "inlet"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_valve2_filter_vessel",
|
||||
"source": "multiway_valve_2",
|
||||
"target": "filter_vessel",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"multiway_valve_2": "3",
|
||||
"filter_vessel": "inlet"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_valve2_filtrate_vessel",
|
||||
"source": "multiway_valve_2",
|
||||
"target": "filtrate_vessel",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"multiway_valve_2": "4",
|
||||
"filtrate_vessel": "inlet"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_valve2_collection1",
|
||||
"source": "multiway_valve_2",
|
||||
"target": "collection_bottle_1",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"multiway_valve_2": "5",
|
||||
"collection_bottle_1": "inlet"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_valve2_collection2",
|
||||
"source": "multiway_valve_2",
|
||||
"target": "collection_bottle_2",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"multiway_valve_2": "6",
|
||||
"collection_bottle_2": "inlet"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_valve2_waste",
|
||||
"source": "multiway_valve_2",
|
||||
"target": "waste_workup",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"multiway_valve_2": "7",
|
||||
"waste_workup": "inlet"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_filter1_filter_vessel",
|
||||
"source": "filter_1",
|
||||
"target": "filter_vessel",
|
||||
"type": "transport",
|
||||
"port": {
|
||||
"filter_1": "filter",
|
||||
"filter_vessel": "filter_port"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_heatchill1_filter_vessel",
|
||||
"source": "heatchill_1",
|
||||
"target": "filter_vessel",
|
||||
"type": "mechanical",
|
||||
"port": {
|
||||
"heatchill_1": "heatchill",
|
||||
"filter_vessel": "heating_jacket"
|
||||
}
|
||||
}
|
||||
]
|
||||
}
|
||||
@@ -0,0 +1,671 @@
|
||||
{
|
||||
"nodes": [
|
||||
{
|
||||
"id": "HeatChillProtocolTestStation",
|
||||
"name": "加热冷却协议测试站",
|
||||
"children": [
|
||||
"transfer_pump_1",
|
||||
"transfer_pump_2",
|
||||
"multiway_valve_1",
|
||||
"multiway_valve_2",
|
||||
"stirrer_1",
|
||||
"stirrer_2",
|
||||
"heatchill_1",
|
||||
"heatchill_2",
|
||||
"flask_DMF",
|
||||
"flask_ethyl_acetate",
|
||||
"flask_methanol",
|
||||
"flask_acetone",
|
||||
"flask_water",
|
||||
"flask_ethanol",
|
||||
"flask_air",
|
||||
"main_reactor",
|
||||
"secondary_reactor",
|
||||
"waste_workup",
|
||||
"collection_bottle_1",
|
||||
"collection_bottle_2"
|
||||
],
|
||||
"parent": null,
|
||||
"type": "device",
|
||||
"class": "workstation",
|
||||
"position": {
|
||||
"x": 500,
|
||||
"y": 200,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"protocol_type": [
|
||||
"PumpTransferProtocol",
|
||||
"AddProtocol",
|
||||
"HeatChillProtocol",
|
||||
"HeatChillStartProtocol",
|
||||
"HeatChillStopProtocol",
|
||||
"DissolveProtocol"
|
||||
]
|
||||
},
|
||||
"data": {}
|
||||
},
|
||||
{
|
||||
"id": "transfer_pump_1",
|
||||
"name": "转移泵1",
|
||||
"children": [],
|
||||
"parent": "HeatChillProtocolTestStation",
|
||||
"type": "device",
|
||||
"class": "virtual_transfer_pump",
|
||||
"position": {
|
||||
"x": 250,
|
||||
"y": 300,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"port": "VIRTUAL_PUMP1",
|
||||
"max_volume": 25.0,
|
||||
"transfer_rate": 5.0
|
||||
},
|
||||
"data": {
|
||||
"position": 0.0,
|
||||
"status": "Idle"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "transfer_pump_2",
|
||||
"name": "转移泵2",
|
||||
"children": [],
|
||||
"parent": "HeatChillProtocolTestStation",
|
||||
"type": "device",
|
||||
"class": "virtual_transfer_pump",
|
||||
"position": {
|
||||
"x": 750,
|
||||
"y": 300,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"port": "VIRTUAL_PUMP2",
|
||||
"max_volume": 25.0,
|
||||
"transfer_rate": 5.0
|
||||
},
|
||||
"data": {
|
||||
"position": 0.0,
|
||||
"status": "Idle"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "multiway_valve_1",
|
||||
"name": "试剂分配阀",
|
||||
"children": [],
|
||||
"parent": "HeatChillProtocolTestStation",
|
||||
"type": "device",
|
||||
"class": "virtual_multiway_valve",
|
||||
"position": {
|
||||
"x": 250,
|
||||
"y": 400,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"port": "VIRTUAL_VALVE1",
|
||||
"positions": 8
|
||||
},
|
||||
"data": {
|
||||
"current_position": 1
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "multiway_valve_2",
|
||||
"name": "反应器分配阀",
|
||||
"children": [],
|
||||
"parent": "HeatChillProtocolTestStation",
|
||||
"type": "device",
|
||||
"class": "virtual_multiway_valve",
|
||||
"position": {
|
||||
"x": 750,
|
||||
"y": 400,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"port": "VIRTUAL_VALVE2",
|
||||
"positions": 8
|
||||
},
|
||||
"data": {
|
||||
"current_position": 1
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "stirrer_1",
|
||||
"name": "主反应器搅拌器",
|
||||
"children": [],
|
||||
"parent": "HeatChillProtocolTestStation",
|
||||
"type": "device",
|
||||
"class": "virtual_stirrer",
|
||||
"position": {
|
||||
"x": 600,
|
||||
"y": 450,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"port": "VIRTUAL_STIRRER1",
|
||||
"max_speed": 1500.0,
|
||||
"default_speed": 300.0
|
||||
},
|
||||
"data": {
|
||||
"speed": 0.0,
|
||||
"status": "Stopped"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "stirrer_2",
|
||||
"name": "副反应器搅拌器",
|
||||
"children": [],
|
||||
"parent": "HeatChillProtocolTestStation",
|
||||
"type": "device",
|
||||
"class": "virtual_stirrer",
|
||||
"position": {
|
||||
"x": 900,
|
||||
"y": 450,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"port": "VIRTUAL_STIRRER2",
|
||||
"max_speed": 1500.0,
|
||||
"default_speed": 300.0
|
||||
},
|
||||
"data": {
|
||||
"speed": 0.0,
|
||||
"status": "Stopped"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "heatchill_1",
|
||||
"name": "主反应器加热冷却器",
|
||||
"children": [],
|
||||
"parent": "HeatChillProtocolTestStation",
|
||||
"type": "device",
|
||||
"class": "virtual_heatchill",
|
||||
"position": {
|
||||
"x": 550,
|
||||
"y": 400,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"port": "VIRTUAL_HEATCHILL1",
|
||||
"max_temp": 200.0,
|
||||
"min_temp": -80.0,
|
||||
"max_stir_speed": 1000.0
|
||||
},
|
||||
"data": {
|
||||
"status": "Idle"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "heatchill_2",
|
||||
"name": "副反应器加热冷却器",
|
||||
"children": [],
|
||||
"parent": "HeatChillProtocolTestStation",
|
||||
"type": "device",
|
||||
"class": "virtual_heatchill",
|
||||
"position": {
|
||||
"x": 850,
|
||||
"y": 400,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"port": "VIRTUAL_HEATCHILL2",
|
||||
"max_temp": 200.0,
|
||||
"min_temp": -80.0,
|
||||
"max_stir_speed": 1000.0
|
||||
},
|
||||
"data": {
|
||||
"status": "Idle"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "flask_DMF",
|
||||
"name": "DMF试剂瓶",
|
||||
"children": [],
|
||||
"parent": "HeatChillProtocolTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 50,
|
||||
"y": 550,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 1000.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": [
|
||||
{
|
||||
"liquid_type": "DMF",
|
||||
"liquid_volume": 800.0
|
||||
}
|
||||
]
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "flask_ethyl_acetate",
|
||||
"name": "乙酸乙酯试剂瓶",
|
||||
"children": [],
|
||||
"parent": "HeatChillProtocolTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 150,
|
||||
"y": 550,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 1000.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": [
|
||||
{
|
||||
"liquid_type": "ethyl_acetate",
|
||||
"liquid_volume": 800.0
|
||||
}
|
||||
]
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "flask_methanol",
|
||||
"name": "甲醇试剂瓶",
|
||||
"children": [],
|
||||
"parent": "HeatChillProtocolTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 250,
|
||||
"y": 550,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 1000.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": [
|
||||
{
|
||||
"liquid_type": "methanol",
|
||||
"liquid_volume": 800.0
|
||||
}
|
||||
]
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "flask_ethanol",
|
||||
"name": "乙醇试剂瓶",
|
||||
"children": [],
|
||||
"parent": "HeatChillProtocolTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 650,
|
||||
"y": 550,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 1000.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": [
|
||||
{
|
||||
"liquid_type": "ethanol",
|
||||
"liquid_volume": 800.0
|
||||
}
|
||||
]
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "flask_acetone",
|
||||
"name": "丙酮试剂瓶",
|
||||
"children": [],
|
||||
"parent": "HeatChillProtocolTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 350,
|
||||
"y": 550,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 1000.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": [
|
||||
{
|
||||
"liquid_type": "acetone",
|
||||
"liquid_volume": 800.0
|
||||
}
|
||||
]
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "flask_water",
|
||||
"name": "蒸馏水瓶",
|
||||
"children": [],
|
||||
"parent": "HeatChillProtocolTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 450,
|
||||
"y": 550,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 1000.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": [
|
||||
{
|
||||
"liquid_type": "water",
|
||||
"liquid_volume": 800.0
|
||||
}
|
||||
]
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "flask_air",
|
||||
"name": "空气瓶",
|
||||
"children": [],
|
||||
"parent": "HeatChillProtocolTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 550,
|
||||
"y": 550,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 1000.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": []
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "main_reactor",
|
||||
"name": "主反应器",
|
||||
"children": [],
|
||||
"parent": "HeatChillProtocolTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 600,
|
||||
"y": 500,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 2000.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": []
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "secondary_reactor",
|
||||
"name": "副反应器",
|
||||
"children": [],
|
||||
"parent": "HeatChillProtocolTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 900,
|
||||
"y": 500,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 1000.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": []
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "waste_workup",
|
||||
"name": "废液处理瓶",
|
||||
"children": [],
|
||||
"parent": "HeatChillProtocolTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 700,
|
||||
"y": 600,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 2000.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": []
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "collection_bottle_1",
|
||||
"name": "收集瓶1",
|
||||
"children": [],
|
||||
"parent": "HeatChillProtocolTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 800,
|
||||
"y": 600,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 1000.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": []
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "collection_bottle_2",
|
||||
"name": "收集瓶2",
|
||||
"children": [],
|
||||
"parent": "HeatChillProtocolTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 900,
|
||||
"y": 600,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 1000.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": []
|
||||
}
|
||||
}
|
||||
],
|
||||
"links": [
|
||||
{
|
||||
"id": "link_pump1_valve1",
|
||||
"source": "transfer_pump_1",
|
||||
"target": "multiway_valve_1",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"transfer_pump_1": "transferpump",
|
||||
"multiway_valve_1": "transferpump"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_pump2_valve2",
|
||||
"source": "transfer_pump_2",
|
||||
"target": "multiway_valve_2",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"transfer_pump_2": "transferpump",
|
||||
"multiway_valve_2": "transferpump"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_valve1_valve2",
|
||||
"source": "multiway_valve_1",
|
||||
"target": "multiway_valve_2",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"multiway_valve_1": "8",
|
||||
"multiway_valve_2": "1"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_valve1_DMF",
|
||||
"source": "multiway_valve_1",
|
||||
"target": "flask_DMF",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"multiway_valve_1": "1",
|
||||
"flask_DMF": "outlet"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_valve1_ethyl_acetate",
|
||||
"source": "multiway_valve_1",
|
||||
"target": "flask_ethyl_acetate",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"multiway_valve_1": "2",
|
||||
"flask_ethyl_acetate": "outlet"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_valve1_methanol",
|
||||
"source": "multiway_valve_1",
|
||||
"target": "flask_methanol",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"multiway_valve_1": "3",
|
||||
"flask_methanol": "outlet"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_valve1_acetone",
|
||||
"source": "multiway_valve_1",
|
||||
"target": "flask_acetone",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"multiway_valve_1": "4",
|
||||
"flask_acetone": "outlet"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_valve1_water",
|
||||
"source": "multiway_valve_1",
|
||||
"target": "flask_water",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"multiway_valve_1": "5",
|
||||
"flask_water": "outlet"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_valve1_air",
|
||||
"source": "multiway_valve_1",
|
||||
"target": "flask_air",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"multiway_valve_1": "6",
|
||||
"flask_air": "top"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_valve2_main_reactor",
|
||||
"source": "multiway_valve_2",
|
||||
"target": "main_reactor",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"multiway_valve_2": "2",
|
||||
"main_reactor": "inlet"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_valve2_secondary_reactor",
|
||||
"source": "multiway_valve_2",
|
||||
"target": "secondary_reactor",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"multiway_valve_2": "3",
|
||||
"secondary_reactor": "inlet"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_valve2_waste",
|
||||
"source": "multiway_valve_2",
|
||||
"target": "waste_workup",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"multiway_valve_2": "6",
|
||||
"waste_workup": "inlet"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_valve2_collection1",
|
||||
"source": "multiway_valve_2",
|
||||
"target": "collection_bottle_1",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"multiway_valve_2": "7",
|
||||
"collection_bottle_1": "inlet"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_valve2_collection2",
|
||||
"source": "multiway_valve_2",
|
||||
"target": "collection_bottle_2",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"multiway_valve_2": "8",
|
||||
"collection_bottle_2": "inlet"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_stirrer1_main_reactor",
|
||||
"source": "stirrer_1",
|
||||
"target": "main_reactor",
|
||||
"type": "mechanical",
|
||||
"port": {
|
||||
"stirrer_1": "stirrer_head",
|
||||
"main_reactor": "stirrer_port"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_stirrer2_secondary_reactor",
|
||||
"source": "stirrer_2",
|
||||
"target": "secondary_reactor",
|
||||
"type": "mechanical",
|
||||
"port": {
|
||||
"stirrer_2": "stirrer_head",
|
||||
"secondary_reactor": "stirrer_port"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_heatchill1_main_reactor",
|
||||
"source": "heatchill_1",
|
||||
"target": "main_reactor",
|
||||
"type": "thermal",
|
||||
"port": {
|
||||
"heatchill_1": "heating_surface",
|
||||
"main_reactor": "heating_jacket"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_heatchill2_secondary_reactor",
|
||||
"source": "heatchill_2",
|
||||
"target": "secondary_reactor",
|
||||
"type": "thermal",
|
||||
"port": {
|
||||
"heatchill_2": "heating_surface",
|
||||
"secondary_reactor": "heating_jacket"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_valve1_ethanol",
|
||||
"source": "multiway_valve_1",
|
||||
"target": "flask_ethanol",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"multiway_valve_1": "7",
|
||||
"flask_ethanol": "outlet"
|
||||
}
|
||||
}
|
||||
]
|
||||
}
|
||||
@@ -0,0 +1,778 @@
|
||||
{
|
||||
"nodes": [
|
||||
{
|
||||
"id": "PumpTransferFilterThroughTestStation",
|
||||
"name": "泵转移+过滤介质测试站",
|
||||
"children": [
|
||||
"transfer_pump_1",
|
||||
"transfer_pump_2",
|
||||
"multiway_valve_1",
|
||||
"multiway_valve_2",
|
||||
"reaction_mixture",
|
||||
"crude_product",
|
||||
"filter_celite",
|
||||
"column_silica_gel",
|
||||
"filter_C18",
|
||||
"pure_product",
|
||||
"collection_bottle_1",
|
||||
"collection_bottle_2",
|
||||
"collection_bottle_3",
|
||||
"intermediate_vessel_1",
|
||||
"intermediate_vessel_2",
|
||||
"flask_water",
|
||||
"flask_ethanol",
|
||||
"flask_methanol",
|
||||
"flask_ethyl_acetate",
|
||||
"flask_acetone",
|
||||
"flask_hexane",
|
||||
"flask_air",
|
||||
"waste_workup"
|
||||
],
|
||||
"parent": null,
|
||||
"type": "device",
|
||||
"class": "workstation",
|
||||
"position": {
|
||||
"x": 500,
|
||||
"y": 200,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"protocol_type": [
|
||||
"PumpTransferProtocol",
|
||||
"FilterThroughProtocol"
|
||||
]
|
||||
},
|
||||
"data": {}
|
||||
},
|
||||
{
|
||||
"id": "transfer_pump_1",
|
||||
"name": "主转移泵",
|
||||
"children": [],
|
||||
"parent": "PumpTransferFilterThroughTestStation",
|
||||
"type": "device",
|
||||
"class": "virtual_transfer_pump",
|
||||
"position": {
|
||||
"x": 200,
|
||||
"y": 300,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"port": "VIRTUAL_PUMP1",
|
||||
"max_volume": 25.0,
|
||||
"transfer_rate": 2.0
|
||||
},
|
||||
"data": {
|
||||
"position": 0.0,
|
||||
"status": "Idle"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "transfer_pump_2",
|
||||
"name": "副转移泵",
|
||||
"children": [],
|
||||
"parent": "PumpTransferFilterThroughTestStation",
|
||||
"type": "device",
|
||||
"class": "virtual_transfer_pump",
|
||||
"position": {
|
||||
"x": 400,
|
||||
"y": 300,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"port": "VIRTUAL_PUMP2",
|
||||
"max_volume": 25.0,
|
||||
"transfer_rate": 2.0
|
||||
},
|
||||
"data": {
|
||||
"position": 0.0,
|
||||
"status": "Idle"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "multiway_valve_1",
|
||||
"name": "溶剂分配阀",
|
||||
"children": [],
|
||||
"parent": "PumpTransferFilterThroughTestStation",
|
||||
"type": "device",
|
||||
"class": "virtual_multiway_valve",
|
||||
"position": {
|
||||
"x": 200,
|
||||
"y": 400,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"port": "VIRTUAL_VALVE1",
|
||||
"positions": 8
|
||||
},
|
||||
"data": {
|
||||
"current_position": 1
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "multiway_valve_2",
|
||||
"name": "样品分配阀",
|
||||
"children": [],
|
||||
"parent": "PumpTransferFilterThroughTestStation",
|
||||
"type": "device",
|
||||
"class": "virtual_multiway_valve",
|
||||
"position": {
|
||||
"x": 400,
|
||||
"y": 400,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"port": "VIRTUAL_VALVE2",
|
||||
"positions": 8
|
||||
},
|
||||
"data": {
|
||||
"current_position": 1
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "reaction_mixture",
|
||||
"name": "反应混合物",
|
||||
"children": [],
|
||||
"parent": "PumpTransferFilterThroughTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 100,
|
||||
"y": 500,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 1000.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": [
|
||||
{
|
||||
"liquid_type": "organic_reaction_mixture",
|
||||
"liquid_volume": 250.0
|
||||
}
|
||||
]
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "crude_product",
|
||||
"name": "粗产品",
|
||||
"children": [],
|
||||
"parent": "PumpTransferFilterThroughTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 200,
|
||||
"y": 500,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 1000.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": [
|
||||
{
|
||||
"liquid_type": "crude_organic_compound",
|
||||
"liquid_volume": 150.0
|
||||
}
|
||||
]
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "filter_celite",
|
||||
"name": "硅藻土过滤器",
|
||||
"children": [],
|
||||
"parent": "PumpTransferFilterThroughTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 600,
|
||||
"y": 450,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 300.0,
|
||||
"filter_type": "celite_pad"
|
||||
},
|
||||
"data": {
|
||||
"liquid": []
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "column_silica_gel",
|
||||
"name": "硅胶柱",
|
||||
"children": [],
|
||||
"parent": "PumpTransferFilterThroughTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 700,
|
||||
"y": 450,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 200.0,
|
||||
"filter_type": "silica_gel_column"
|
||||
},
|
||||
"data": {
|
||||
"liquid": []
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "filter_C18",
|
||||
"name": "C18固相萃取柱",
|
||||
"children": [],
|
||||
"parent": "PumpTransferFilterThroughTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 800,
|
||||
"y": 450,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 100.0,
|
||||
"filter_type": "C18_cartridge"
|
||||
},
|
||||
"data": {
|
||||
"liquid": []
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "pure_product",
|
||||
"name": "纯产品",
|
||||
"children": [],
|
||||
"parent": "PumpTransferFilterThroughTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 900,
|
||||
"y": 500,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 1000.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": []
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "collection_bottle_1",
|
||||
"name": "收集瓶1",
|
||||
"children": [],
|
||||
"parent": "PumpTransferFilterThroughTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 600,
|
||||
"y": 550,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 1000.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": []
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "collection_bottle_2",
|
||||
"name": "收集瓶2",
|
||||
"children": [],
|
||||
"parent": "PumpTransferFilterThroughTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 700,
|
||||
"y": 550,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 1000.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": []
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "collection_bottle_3",
|
||||
"name": "收集瓶3",
|
||||
"children": [],
|
||||
"parent": "PumpTransferFilterThroughTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 800,
|
||||
"y": 550,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 1000.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": []
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "intermediate_vessel_1",
|
||||
"name": "中间容器1",
|
||||
"children": [],
|
||||
"parent": "PumpTransferFilterThroughTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 300,
|
||||
"y": 500,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 1000.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": []
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "intermediate_vessel_2",
|
||||
"name": "中间容器2",
|
||||
"children": [],
|
||||
"parent": "PumpTransferFilterThroughTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 400,
|
||||
"y": 500,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 1000.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": []
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "flask_water",
|
||||
"name": "蒸馏水瓶",
|
||||
"children": [],
|
||||
"parent": "PumpTransferFilterThroughTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 100,
|
||||
"y": 600,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 1000.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": [
|
||||
{
|
||||
"liquid_type": "water",
|
||||
"liquid_volume": 900.0
|
||||
}
|
||||
]
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "flask_ethanol",
|
||||
"name": "乙醇瓶",
|
||||
"children": [],
|
||||
"parent": "PumpTransferFilterThroughTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 200,
|
||||
"y": 600,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 1000.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": [
|
||||
{
|
||||
"liquid_type": "ethanol",
|
||||
"liquid_volume": 800.0
|
||||
}
|
||||
]
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "flask_methanol",
|
||||
"name": "甲醇瓶",
|
||||
"children": [],
|
||||
"parent": "PumpTransferFilterThroughTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 300,
|
||||
"y": 600,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 1000.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": [
|
||||
{
|
||||
"liquid_type": "methanol",
|
||||
"liquid_volume": 800.0
|
||||
}
|
||||
]
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "flask_ethyl_acetate",
|
||||
"name": "乙酸乙酯瓶",
|
||||
"children": [],
|
||||
"parent": "PumpTransferFilterThroughTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 400,
|
||||
"y": 600,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 1000.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": [
|
||||
{
|
||||
"liquid_type": "ethyl_acetate",
|
||||
"liquid_volume": 800.0
|
||||
}
|
||||
]
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "flask_acetone",
|
||||
"name": "丙酮瓶",
|
||||
"children": [],
|
||||
"parent": "PumpTransferFilterThroughTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 500,
|
||||
"y": 600,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 1000.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": [
|
||||
{
|
||||
"liquid_type": "acetone",
|
||||
"liquid_volume": 800.0
|
||||
}
|
||||
]
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "flask_hexane",
|
||||
"name": "正己烷瓶",
|
||||
"children": [],
|
||||
"parent": "PumpTransferFilterThroughTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 600,
|
||||
"y": 600,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 1000.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": [
|
||||
{
|
||||
"liquid_type": "hexane",
|
||||
"liquid_volume": 800.0
|
||||
}
|
||||
]
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "flask_air",
|
||||
"name": "空气瓶",
|
||||
"children": [],
|
||||
"parent": "PumpTransferFilterThroughTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 700,
|
||||
"y": 600,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 1000.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": []
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "waste_workup",
|
||||
"name": "废液瓶",
|
||||
"children": [],
|
||||
"parent": "PumpTransferFilterThroughTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 800,
|
||||
"y": 600,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 2000.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": []
|
||||
}
|
||||
}
|
||||
],
|
||||
"links": [
|
||||
{
|
||||
"id": "link_pump1_valve1",
|
||||
"source": "transfer_pump_1",
|
||||
"target": "multiway_valve_1",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"transfer_pump_1": "transferpump",
|
||||
"multiway_valve_1": "transferpump"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_pump2_valve2",
|
||||
"source": "transfer_pump_2",
|
||||
"target": "multiway_valve_2",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"transfer_pump_2": "transferpump",
|
||||
"multiway_valve_2": "transferpump"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_valve1_air",
|
||||
"source": "multiway_valve_1",
|
||||
"target": "flask_air",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"multiway_valve_1": "1",
|
||||
"flask_air": "top"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_valve1_water",
|
||||
"source": "multiway_valve_1",
|
||||
"target": "flask_water",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"multiway_valve_1": "2",
|
||||
"flask_water": "outlet"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_valve1_ethanol",
|
||||
"source": "multiway_valve_1",
|
||||
"target": "flask_ethanol",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"multiway_valve_1": "3",
|
||||
"flask_ethanol": "outlet"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_valve1_methanol",
|
||||
"source": "multiway_valve_1",
|
||||
"target": "flask_methanol",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"multiway_valve_1": "4",
|
||||
"flask_methanol": "outlet"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_valve1_ethyl_acetate",
|
||||
"source": "multiway_valve_1",
|
||||
"target": "flask_ethyl_acetate",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"multiway_valve_1": "5",
|
||||
"flask_ethyl_acetate": "outlet"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_valve1_acetone",
|
||||
"source": "multiway_valve_1",
|
||||
"target": "flask_acetone",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"multiway_valve_1": "6",
|
||||
"flask_acetone": "outlet"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_valve1_hexane",
|
||||
"source": "multiway_valve_1",
|
||||
"target": "flask_hexane",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"multiway_valve_1": "7",
|
||||
"flask_hexane": "outlet"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_valve1_valve2",
|
||||
"source": "multiway_valve_1",
|
||||
"target": "multiway_valve_2",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"multiway_valve_1": "8",
|
||||
"multiway_valve_2": "1"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_valve2_reaction_mixture",
|
||||
"source": "multiway_valve_2",
|
||||
"target": "reaction_mixture",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"multiway_valve_2": "2",
|
||||
"reaction_mixture": "inlet"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_valve2_crude_product",
|
||||
"source": "multiway_valve_2",
|
||||
"target": "crude_product",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"multiway_valve_2": "3",
|
||||
"crude_product": "inlet"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_valve2_intermediate1",
|
||||
"source": "multiway_valve_2",
|
||||
"target": "intermediate_vessel_1",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"multiway_valve_2": "4",
|
||||
"intermediate_vessel_1": "inlet"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_valve2_intermediate2",
|
||||
"source": "multiway_valve_2",
|
||||
"target": "intermediate_vessel_2",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"multiway_valve_2": "5",
|
||||
"intermediate_vessel_2": "inlet"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_valve2_celite",
|
||||
"source": "multiway_valve_2",
|
||||
"target": "filter_celite",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"multiway_valve_2": "6",
|
||||
"filter_celite": "inlet"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_valve2_silica_gel",
|
||||
"source": "multiway_valve_2",
|
||||
"target": "column_silica_gel",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"multiway_valve_2": "7",
|
||||
"column_silica_gel": "inlet"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_valve2_C18",
|
||||
"source": "multiway_valve_2",
|
||||
"target": "filter_C18",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"multiway_valve_2": "8",
|
||||
"filter_C18": "inlet"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_celite_collection1",
|
||||
"source": "filter_celite",
|
||||
"target": "collection_bottle_1",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"filter_celite": "outlet",
|
||||
"collection_bottle_1": "inlet"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_silica_gel_collection2",
|
||||
"source": "column_silica_gel",
|
||||
"target": "collection_bottle_2",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"column_silica_gel": "outlet",
|
||||
"collection_bottle_2": "inlet"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_C18_collection3",
|
||||
"source": "filter_C18",
|
||||
"target": "collection_bottle_3",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"filter_C18": "outlet",
|
||||
"collection_bottle_3": "inlet"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_collection1_pure_product",
|
||||
"source": "collection_bottle_1",
|
||||
"target": "pure_product",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"collection_bottle_1": "outlet",
|
||||
"pure_product": "inlet"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_collection2_pure_product",
|
||||
"source": "collection_bottle_2",
|
||||
"target": "pure_product",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"collection_bottle_2": "outlet",
|
||||
"pure_product": "inlet"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_collection3_pure_product",
|
||||
"source": "collection_bottle_3",
|
||||
"target": "pure_product",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"collection_bottle_3": "outlet",
|
||||
"pure_product": "inlet"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_waste_connection",
|
||||
"source": "pure_product",
|
||||
"target": "waste_workup",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"pure_product": "waste_outlet",
|
||||
"waste_workup": "inlet"
|
||||
}
|
||||
}
|
||||
]
|
||||
}
|
||||
@@ -0,0 +1,304 @@
|
||||
{
|
||||
"nodes": [
|
||||
{
|
||||
"id": "SimpleProtocolStation",
|
||||
"name": "简单协议工作站",
|
||||
"children": [
|
||||
"transfer_pump_1",
|
||||
"multiway_valve_1",
|
||||
"flask_DMF",
|
||||
"flask_ethyl_acetate",
|
||||
"flask_methanol",
|
||||
"main_reactor",
|
||||
"waste_workup",
|
||||
"collection_bottle_1",
|
||||
"flask_air"
|
||||
],
|
||||
"parent": null,
|
||||
"type": "device",
|
||||
"class": "workstation",
|
||||
"position": {
|
||||
"x": 500,
|
||||
"y": 200,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"protocol_type": ["PumpTransferProtocol"]
|
||||
},
|
||||
"data": {}
|
||||
},
|
||||
{
|
||||
"id": "transfer_pump_1",
|
||||
"name": "转移泵1",
|
||||
"children": [],
|
||||
"parent": "SimpleProtocolStation",
|
||||
"type": "device",
|
||||
"class": "virtual_transfer_pump",
|
||||
"position": {
|
||||
"x": 500,
|
||||
"y": 300,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"port": "VIRTUAL",
|
||||
"max_volume": 25.0,
|
||||
"transfer_rate": 5.0
|
||||
},
|
||||
"data": {
|
||||
"position": 0.0,
|
||||
"status": "Idle",
|
||||
"valve_position": "0"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "multiway_valve_1",
|
||||
"name": "八通阀1",
|
||||
"children": [],
|
||||
"parent": "SimpleProtocolStation",
|
||||
"type": "device",
|
||||
"class": "virtual_multiway_valve",
|
||||
"position": {
|
||||
"x": 500,
|
||||
"y": 400,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"port": "VIRTUAL",
|
||||
"positions": 8
|
||||
},
|
||||
"data": {
|
||||
"current_position": 1
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "flask_DMF",
|
||||
"name": "DMF试剂瓶",
|
||||
"children": [],
|
||||
"parent": "SimpleProtocolStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 200,
|
||||
"y": 500,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 1000.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": [
|
||||
{
|
||||
"liquid_type": "DMF",
|
||||
"liquid_volume": 800.0
|
||||
}
|
||||
]
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "flask_ethyl_acetate",
|
||||
"name": "乙酸乙酯试剂瓶",
|
||||
"children": [],
|
||||
"parent": "SimpleProtocolStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 300,
|
||||
"y": 500,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 1000.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": [
|
||||
{
|
||||
"liquid_type": "ethyl_acetate",
|
||||
"liquid_volume": 800.0
|
||||
}
|
||||
]
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "flask_methanol",
|
||||
"name": "甲醇试剂瓶",
|
||||
"children": [],
|
||||
"parent": "SimpleProtocolStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 400,
|
||||
"y": 500,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 1000.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": [
|
||||
{
|
||||
"liquid_type": "methanol",
|
||||
"liquid_volume": 800.0
|
||||
}
|
||||
]
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "main_reactor",
|
||||
"name": "主反应器",
|
||||
"children": [],
|
||||
"parent": "SimpleProtocolStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 600,
|
||||
"y": 500,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 2000.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": []
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "waste_workup",
|
||||
"name": "废液处理瓶",
|
||||
"children": [],
|
||||
"parent": "SimpleProtocolStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 700,
|
||||
"y": 500,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 2000.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": []
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "collection_bottle_1",
|
||||
"name": "收集瓶1",
|
||||
"children": [],
|
||||
"parent": "SimpleProtocolStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 800,
|
||||
"y": 500,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 1000.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": []
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "flask_air",
|
||||
"name": "空气瓶",
|
||||
"children": [],
|
||||
"parent": "SimpleProtocolStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 100,
|
||||
"y": 500,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 1000.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": []
|
||||
}
|
||||
}
|
||||
],
|
||||
"links": [
|
||||
{
|
||||
"id": "link_pump_valve",
|
||||
"source": "transfer_pump_1",
|
||||
"target": "multiway_valve_1",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"transfer_pump_1": "transferpump",
|
||||
"multiway_valve_1": "transferpump"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_valve_air",
|
||||
"source": "multiway_valve_1",
|
||||
"target": "flask_air",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"multiway_valve_1": "1",
|
||||
"flask_air": "top"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_valve_DMF",
|
||||
"source": "multiway_valve_1",
|
||||
"target": "flask_DMF",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"multiway_valve_1": "2",
|
||||
"flask_DMF": "outlet"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_valve_ethyl_acetate",
|
||||
"source": "multiway_valve_1",
|
||||
"target": "flask_ethyl_acetate",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"multiway_valve_1": "3",
|
||||
"flask_ethyl_acetate": "outlet"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_valve_methanol",
|
||||
"source": "multiway_valve_1",
|
||||
"target": "flask_methanol",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"multiway_valve_1": "4",
|
||||
"flask_methanol": "outlet"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_valve_reactor",
|
||||
"source": "multiway_valve_1",
|
||||
"target": "main_reactor",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"multiway_valve_1": "5",
|
||||
"main_reactor": "inlet"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_valve_waste",
|
||||
"source": "multiway_valve_1",
|
||||
"target": "waste_workup",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"multiway_valve_1": "6",
|
||||
"waste_workup": "inlet"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_valve_collection",
|
||||
"source": "multiway_valve_1",
|
||||
"target": "collection_bottle_1",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"multiway_valve_1": "7",
|
||||
"collection_bottle_1": "inlet"
|
||||
}
|
||||
}
|
||||
]
|
||||
}
|
||||
@@ -0,0 +1,432 @@
|
||||
{
|
||||
"nodes": [
|
||||
{
|
||||
"id": "RunColumnTestStation",
|
||||
"name": "柱层析测试工作站",
|
||||
"children": [
|
||||
"transfer_pump_1",
|
||||
"multiway_valve_1",
|
||||
"column_1",
|
||||
"flask_sample",
|
||||
"flask_hexane",
|
||||
"flask_ethyl_acetate",
|
||||
"flask_methanol",
|
||||
"column_vessel",
|
||||
"collection_flask_1",
|
||||
"collection_flask_2",
|
||||
"collection_flask_3",
|
||||
"waste_flask",
|
||||
"main_reactor"
|
||||
],
|
||||
"parent": null,
|
||||
"type": "device",
|
||||
"class": "workstation",
|
||||
"position": {
|
||||
"x": 500,
|
||||
"y": 200,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"protocol_type": ["RunColumnProtocol", "PumpTransferProtocol"]
|
||||
},
|
||||
"data": {}
|
||||
},
|
||||
{
|
||||
"id": "transfer_pump_1",
|
||||
"name": "转移泵",
|
||||
"children": [],
|
||||
"parent": "RunColumnTestStation",
|
||||
"type": "device",
|
||||
"class": "virtual_transfer_pump",
|
||||
"position": {
|
||||
"x": 300,
|
||||
"y": 300,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"port": "VIRTUAL_PUMP1",
|
||||
"max_volume": 50.0,
|
||||
"transfer_rate": 10.0
|
||||
},
|
||||
"data": {
|
||||
"status": "Idle",
|
||||
"position": 0.0
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "multiway_valve_1",
|
||||
"name": "八通阀门",
|
||||
"children": [],
|
||||
"parent": "RunColumnTestStation",
|
||||
"type": "device",
|
||||
"class": "virtual_multiway_valve",
|
||||
"position": {
|
||||
"x": 300,
|
||||
"y": 400,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"port": "VIRTUAL_VALVE1",
|
||||
"positions": 8
|
||||
},
|
||||
"data": {
|
||||
"current_position": 1
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "column_1",
|
||||
"name": "柱层析设备",
|
||||
"children": [],
|
||||
"parent": "RunColumnTestStation",
|
||||
"type": "device",
|
||||
"class": "virtual_column",
|
||||
"position": {
|
||||
"x": 600,
|
||||
"y": 350,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"port": "VIRTUAL_COLUMN1",
|
||||
"max_flow_rate": 5.0,
|
||||
"column_length": 30.0,
|
||||
"column_diameter": 2.5
|
||||
},
|
||||
"data": {
|
||||
"status": "Idle",
|
||||
"column_state": "Ready"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "flask_sample",
|
||||
"name": "样品瓶",
|
||||
"children": [],
|
||||
"parent": "RunColumnTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 100,
|
||||
"y": 500,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 500.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": [
|
||||
{
|
||||
"name": "crude_mixture",
|
||||
"volume": 200.0,
|
||||
"concentration": 70.0
|
||||
}
|
||||
]
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "flask_hexane",
|
||||
"name": "正己烷洗脱剂",
|
||||
"children": [],
|
||||
"parent": "RunColumnTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 200,
|
||||
"y": 500,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 2000.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": [
|
||||
{
|
||||
"name": "hexane",
|
||||
"volume": 1500.0,
|
||||
"concentration": 99.8
|
||||
}
|
||||
]
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "flask_ethyl_acetate",
|
||||
"name": "乙酸乙酯洗脱剂",
|
||||
"children": [],
|
||||
"parent": "RunColumnTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 300,
|
||||
"y": 500,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 2000.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": [
|
||||
{
|
||||
"name": "ethyl_acetate",
|
||||
"volume": 1500.0,
|
||||
"concentration": 99.5
|
||||
}
|
||||
]
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "flask_methanol",
|
||||
"name": "甲醇洗脱剂",
|
||||
"children": [],
|
||||
"parent": "RunColumnTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 400,
|
||||
"y": 500,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 1000.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": [
|
||||
{
|
||||
"name": "methanol",
|
||||
"volume": 800.0,
|
||||
"concentration": 99.9
|
||||
}
|
||||
]
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "column_vessel",
|
||||
"name": "柱容器",
|
||||
"children": [],
|
||||
"parent": "RunColumnTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 600,
|
||||
"y": 450,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 300.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": []
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "collection_flask_1",
|
||||
"name": "收集瓶1",
|
||||
"children": [],
|
||||
"parent": "RunColumnTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 700,
|
||||
"y": 500,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 1000.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": []
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "collection_flask_2",
|
||||
"name": "收集瓶2",
|
||||
"children": [],
|
||||
"parent": "RunColumnTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 800,
|
||||
"y": 500,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 1000.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": []
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "collection_flask_3",
|
||||
"name": "收集瓶3",
|
||||
"children": [],
|
||||
"parent": "RunColumnTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 900,
|
||||
"y": 500,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 1000.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": []
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "waste_flask",
|
||||
"name": "废液瓶",
|
||||
"children": [],
|
||||
"parent": "RunColumnTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 1000,
|
||||
"y": 500,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 2000.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": []
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "main_reactor",
|
||||
"name": "反应器",
|
||||
"children": [],
|
||||
"parent": "RunColumnTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 600,
|
||||
"y": 300,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 1000.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": [
|
||||
{
|
||||
"name": "reaction_mixture",
|
||||
"volume": 300.0,
|
||||
"concentration": 85.0
|
||||
}
|
||||
]
|
||||
}
|
||||
}
|
||||
],
|
||||
"links": [
|
||||
{
|
||||
"id": "link_pump_valve",
|
||||
"source": "transfer_pump_1",
|
||||
"target": "multiway_valve_1",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"transfer_pump_1": "transferpump",
|
||||
"multiway_valve_1": "transferpump"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_valve_sample",
|
||||
"source": "multiway_valve_1",
|
||||
"target": "flask_sample",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"multiway_valve_1": "1",
|
||||
"flask_sample": "outlet"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_valve_hexane",
|
||||
"source": "multiway_valve_1",
|
||||
"target": "flask_hexane",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"multiway_valve_1": "2",
|
||||
"flask_hexane": "outlet"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_valve_ethyl_acetate",
|
||||
"source": "multiway_valve_1",
|
||||
"target": "flask_ethyl_acetate",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"multiway_valve_1": "3",
|
||||
"flask_ethyl_acetate": "outlet"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_valve_methanol",
|
||||
"source": "multiway_valve_1",
|
||||
"target": "flask_methanol",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"multiway_valve_1": "4",
|
||||
"flask_methanol": "outlet"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_valve_column_vessel",
|
||||
"source": "multiway_valve_1",
|
||||
"target": "column_vessel",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"multiway_valve_1": "5",
|
||||
"column_vessel": "inlet"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_valve_collection1",
|
||||
"source": "multiway_valve_1",
|
||||
"target": "collection_flask_1",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"multiway_valve_1": "6",
|
||||
"collection_flask_1": "inlet"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_valve_collection2",
|
||||
"source": "multiway_valve_1",
|
||||
"target": "collection_flask_2",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"multiway_valve_1": "7",
|
||||
"collection_flask_2": "inlet"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_valve_waste",
|
||||
"source": "multiway_valve_1",
|
||||
"target": "waste_flask",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"multiway_valve_1": "8",
|
||||
"waste_flask": "inlet"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_column_device_vessel",
|
||||
"source": "column_1",
|
||||
"target": "column_vessel",
|
||||
"type": "transport",
|
||||
"port": {
|
||||
"column_1": "columnin",
|
||||
"column_vessel": "column_port"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_column_collection3",
|
||||
"source": "column_1",
|
||||
"target": "collection_flask_3",
|
||||
"type": "transport",
|
||||
"port": {
|
||||
"column_1": "columnout",
|
||||
"collection_flask_3": "column_outlet"
|
||||
}
|
||||
}
|
||||
]
|
||||
}
|
||||
@@ -0,0 +1,141 @@
|
||||
{
|
||||
"nodes": [
|
||||
{
|
||||
"id": "SimpleStirHeatChillTestStation",
|
||||
"name": "搅拌加热测试站",
|
||||
"children": [
|
||||
"stirrer_1",
|
||||
"heatchill_1",
|
||||
"main_reactor",
|
||||
"secondary_reactor"
|
||||
],
|
||||
"parent": null,
|
||||
"type": "device",
|
||||
"class": "workstation",
|
||||
"position": {
|
||||
"x": 500,
|
||||
"y": 200,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"protocol_type": [
|
||||
"StirProtocol",
|
||||
"StartStirProtocol",
|
||||
"StopStirProtocol",
|
||||
"HeatChillProtocol",
|
||||
"HeatChillStartProtocol",
|
||||
"HeatChillStopProtocol"
|
||||
]
|
||||
},
|
||||
"data": {}
|
||||
},
|
||||
{
|
||||
"id": "stirrer_1",
|
||||
"name": "主搅拌器",
|
||||
"children": [],
|
||||
"parent": "SimpleStirHeatChillTestStation",
|
||||
"type": "device",
|
||||
"class": "virtual_stirrer",
|
||||
"position": {
|
||||
"x": 400,
|
||||
"y": 350,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"port": "VIRTUAL_STIRRER1",
|
||||
"max_speed": 1500.0,
|
||||
"min_speed": 50.0
|
||||
},
|
||||
"data": {
|
||||
"status": "Idle"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "heatchill_1",
|
||||
"name": "主加热冷却器",
|
||||
"children": [],
|
||||
"parent": "SimpleStirHeatChillTestStation",
|
||||
"type": "device",
|
||||
"class": "virtual_heatchill",
|
||||
"position": {
|
||||
"x": 600,
|
||||
"y": 350,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"port": "VIRTUAL_HEATCHILL1",
|
||||
"max_temp": 200.0,
|
||||
"min_temp": -80.0,
|
||||
"max_stir_speed": 1000.0
|
||||
},
|
||||
"data": {
|
||||
"status": "Idle"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "main_reactor",
|
||||
"name": "主反应器",
|
||||
"children": [],
|
||||
"parent": "SimpleStirHeatChillTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 500,
|
||||
"y": 450,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 2000.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": [
|
||||
{
|
||||
"liquid_type": "water",
|
||||
"liquid_volume": 500.0
|
||||
}
|
||||
]
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "secondary_reactor",
|
||||
"name": "副反应器",
|
||||
"children": [],
|
||||
"parent": "SimpleStirHeatChillTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 700,
|
||||
"y": 450,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 1000.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": []
|
||||
}
|
||||
}
|
||||
],
|
||||
"links": [
|
||||
{
|
||||
"id": "link_stirrer1_main_reactor",
|
||||
"source": "stirrer_1",
|
||||
"target": "main_reactor",
|
||||
"type": "mechanical",
|
||||
"port": {
|
||||
"stirrer_1": "stirrer",
|
||||
"main_reactor": "stirrer_port"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_heatchill1_main_reactor",
|
||||
"source": "heatchill_1",
|
||||
"target": "main_reactor",
|
||||
"type": "mechanical",
|
||||
"port": {
|
||||
"heatchill_1": "heatchill",
|
||||
"main_reactor": "heating_jacket"
|
||||
}
|
||||
}
|
||||
]
|
||||
}
|
||||
22
test/experiments/biomek.json
Normal file
22
test/experiments/biomek.json
Normal file
@@ -0,0 +1,22 @@
|
||||
{
|
||||
"nodes": [
|
||||
{
|
||||
"id": "BIOMEK",
|
||||
"name": "BIOMEK",
|
||||
"parent": null,
|
||||
"type": "device",
|
||||
"class": "liquid_handler.biomek",
|
||||
"position": {
|
||||
"x": 620.6111111111111,
|
||||
"y": 171,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
},
|
||||
"data": {},
|
||||
"children": [
|
||||
]
|
||||
}
|
||||
],
|
||||
"links": []
|
||||
}
|
||||
45
test/experiments/camera.json
Normal file
45
test/experiments/camera.json
Normal file
@@ -0,0 +1,45 @@
|
||||
{
|
||||
"nodes": [
|
||||
{
|
||||
"id": "Camera",
|
||||
"name": "摄像头",
|
||||
"children": [
|
||||
],
|
||||
"parent": null,
|
||||
"type": "device",
|
||||
"class": "camera",
|
||||
"position": {
|
||||
"x": 0,
|
||||
"y": 0,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"camera_index": 0,
|
||||
"period": 0.05
|
||||
},
|
||||
"data": {
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "Gripper1",
|
||||
"name": "假夹爪",
|
||||
"children": [
|
||||
],
|
||||
"parent": null,
|
||||
"type": "device",
|
||||
"class": "gripper.mock",
|
||||
"position": {
|
||||
"x": 0,
|
||||
"y": 0,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
},
|
||||
"data": {
|
||||
}
|
||||
}
|
||||
],
|
||||
"links": [
|
||||
|
||||
]
|
||||
}
|
||||
258
test/experiments/comprehensive_protocol/checklist.md
Normal file
258
test/experiments/comprehensive_protocol/checklist.md
Normal file
@@ -0,0 +1,258 @@
|
||||
1. 用到的仪器
|
||||
virtual_multiway_valve(√) 八通阀门
|
||||
virtual_transfer_pump(√) 转移泵
|
||||
virtual_centrifuge() 离心机
|
||||
virtual_rotavap() 旋蒸仪
|
||||
virtual_heatchill() 加热器
|
||||
virtual_stirrer() 搅拌器
|
||||
virtual_solenoid_valve() 电磁阀
|
||||
virtual_vacuum_pump(√) vacuum_pump.mock 真空泵
|
||||
virtual_gas_source(√) 气源
|
||||
virtual_filter() 过滤器
|
||||
virtual_column(√) 层析柱
|
||||
separator() homemade_grbl_conductivity 分液漏斗
|
||||
2. 用到的protocol
|
||||
PumpTransferProtocol: generate_pump_protocol_with_rinsing, (√)
|
||||
这个重复了，删掉CleanProtocol: generate_clean_protocol,
|
||||
SeparateProtocol: generate_separate_protocol, (×)
|
||||
EvaporateProtocol: generate_evaporate_protocol, (√)
|
||||
EvacuateAndRefillProtocol: generate_evacuateandrefill_protocol, (√)
|
||||
CentrifugeProtocol: generate_centrifuge_protocol, (√)
|
||||
AddProtocol: generate_add_protocol, (√)
|
||||
FilterProtocol: generate_filter_protocol, (√)
|
||||
HeatChillProtocol: generate_heat_chill_protocol, (√)
|
||||
HeatChillStartProtocol: generate_heat_chill_start_protocol, (√)
|
||||
HeatChillStopProtocol: generate_heat_chill_stop_protocol, (√)
|
||||
HeatChillToTempProtocol:
|
||||
StirProtocol: generate_stir_protocol, (√)
|
||||
StartStirProtocol: generate_start_stir_protocol, (√)
|
||||
StopStirProtocol: generate_stop_stir_protocol, (√)
|
||||
这个重复了，删掉TransferProtocol: generate_transfer_protocol,
|
||||
CleanVesselProtocol: generate_clean_vessel_protocol, (√)
|
||||
DissolveProtocol: generate_dissolve_protocol, (√)
|
||||
FilterThroughProtocol: generate_filter_through_protocol, (√)
|
||||
RunColumnProtocol: generate_run_column_protocol, (√)<RunColumn Rf="?" column="column" from_vessel="rotavap" ratio="5:95" solvent1="methanol" solvent2="chloroform" to_vessel="rotavap"/>
|
||||
|
||||
上下文体积搜索
|
||||
3. 还没创建的protocol
|
||||
ResetHandling 写完了 <ResetHandling solvent="methanol"/>
|
||||
Dry 写完了 <Dry compound="product" vessel="filter"/>
|
||||
AdjustPH 写完了 <AdjustPH pH="8.0" reagent="hydrochloric acid" vessel="main_reactor"/>
|
||||
Recrystallize 写完了 <Recrystallize ratio="?" solvent1="dichloromethane" solvent2="methanol" vessel="filter" volume="?"/>
|
||||
TakeSample <TakeSample id="a" vessel="rotavap"/>
|
||||
Hydrogenate <Hydrogenate temp="45 °C" time="?" vessel="main_reactor"/>
|
||||
4. 参数对齐
|
||||
|
||||
|
||||
|
||||
|
||||
|
||||
|
||||
|
||||
|
||||
|
||||
|
||||
class PumpTransferProtocol(BaseModel):
|
||||
from_vessel: str
|
||||
to_vessel: str
|
||||
volume: float
|
||||
amount: str = ""
|
||||
time: float = 0
|
||||
viscous: bool = False
|
||||
rinsing_solvent: str = "air" <Transfer from_vessel="main_reactor" to_vessel="rotavap"/>
|
||||
rinsing_volume: float = 5000 <Transfer event="A" from_vessel="reactor" rate_spec="dropwise" to_vessel="main_reactor"/>
|
||||
rinsing_repeats: int = 2 <Transfer from_vessel="separator" through="cartridge" to_vessel="rotavap"/>
|
||||
solid: bool = False 测完了三个都能跑✅
|
||||
flowrate: float = 500
|
||||
transfer_flowrate: float = 2500
|
||||
|
||||
class SeparateProtocol(BaseModel):
|
||||
purpose: str
|
||||
product_phase: str
|
||||
from_vessel: str
|
||||
separation_vessel: str
|
||||
to_vessel: str
|
||||
waste_phase_to_vessel: str
|
||||
solvent: str
|
||||
solvent_volume: float <Separate product_phase="bottom" purpose="wash" solvent="water" vessel="separator" volume="?"/>
|
||||
through: str <Separate product_phase="top" purpose="separate" vessel="separator"/>
|
||||
repeats: int <Separate product_phase="bottom" purpose="extract" repeats="3" solvent="CH2Cl2" vessel="separator" volume="?"/>
|
||||
stir_time: float <Separate product_phase="top" product_vessel="flask" purpose="separate" vessel="separator" waste_vessel="separator"/>
|
||||
stir_speed: float
|
||||
settling_time: float 测完了能跑✅
|
||||
|
||||
|
||||
class EvaporateProtocol(BaseModel):
|
||||
vessel: str
|
||||
pressure: float
|
||||
temp: float <Evaporate solvent="ethanol" vessel="rotavap"/>
|
||||
time: float 测完了能跑✅
|
||||
stir_speed: float
|
||||
|
||||
|
||||
class EvacuateAndRefillProtocol(BaseModel):
|
||||
vessel: str
|
||||
gas: str <EvacuateAndRefill gas="nitrogen" vessel="main_reactor"/>
|
||||
repeats: int 测完了能跑✅
|
||||
|
||||
class AddProtocol(BaseModel):
|
||||
vessel: str
|
||||
reagent: str
|
||||
volume: float
|
||||
mass: float
|
||||
amount: str
|
||||
time: float
|
||||
stir: bool
|
||||
stir_speed: float <Add reagent="ethanol" vessel="main_reactor" volume="2.7 mL"/>
|
||||
<Add event="A" mass="19.3 g" mol="0.28 mol" rate_spec="portionwise" reagent="sodium nitrite" time="1 h" vessel="main_reactor"/>
|
||||
<Add mass="4.5 g" mol="16.2 mmol" reagent="(S)-2-phthalimido-6-hydroxyhexanoic acid" vessel="main_reactor"/>
|
||||
<Add purpose="dilute" reagent="hydrochloric acid" vessel="main_reactor" volume="?"/>
|
||||
<Add equiv="1.1" event="B" mol="25.2 mmol" rate_spec="dropwise" reagent="1-fluoro-2-nitrobenzene" time="20 min"
|
||||
vessel="main_reactor" volume="2.67 mL"/>
|
||||
<Add ratio="?" reagent="tetrahydrofuran|tert-butanol" vessel="main_reactor" volume="?"/>
|
||||
viscous: bool
|
||||
purpose: str 测完了能跑✅
|
||||
|
||||
class CentrifugeProtocol(BaseModel):
|
||||
vessel: str
|
||||
speed: float
|
||||
time: float 没毛病
|
||||
temp: float
|
||||
|
||||
class FilterProtocol(BaseModel):
|
||||
vessel: str
|
||||
filtrate_vessel: str
|
||||
stir: bool <Filter vessel="filter"/>
|
||||
stir_speed: float <Filter filtrate_vessel="rotavap" vessel="filter"/>
|
||||
temp: float 测完了能跑✅
|
||||
continue_heatchill: bool
|
||||
volume: float
|
||||
|
||||
class HeatChillProtocol(BaseModel):
|
||||
vessel: str
|
||||
temp: float
|
||||
time: float <HeatChill pressure="1 mbar" temp_spec="room temperature" time="?" vessel="main_reactor"/>
|
||||
<HeatChill temp_spec="room temperature" time_spec="overnight" vessel="main_reactor"/>
|
||||
<HeatChill temp="256 °C" time="?" vessel="main_reactor"/>
|
||||
<HeatChill reflux_solvent="methanol" temp_spec="reflux" time="2 h" vessel="main_reactor"/>
|
||||
<HeatChillToTemp temp_spec="room temperature" vessel="main_reactor"/>
|
||||
stir: bool 测完了能跑✅
|
||||
stir_speed: float
|
||||
purpose: str
|
||||
|
||||
class HeatChillStartProtocol(BaseModel):
|
||||
vessel: str
|
||||
temp: float 疑似没有
|
||||
purpose: str
|
||||
|
||||
class HeatChillStopProtocol(BaseModel):
|
||||
vessel: str 疑似没有
|
||||
|
||||
class StirProtocol(BaseModel):
|
||||
stir_time: float
|
||||
stir_speed: float <Stir time="0.5 h" vessel="main_reactor"/>
|
||||
<Stir event="A" time="30 min" vessel="main_reactor"/>
|
||||
<Stir time_spec="several minutes" vessel="filter"/>
|
||||
settling_time: float 测完了能跑✅
|
||||
|
||||
class StartStirProtocol(BaseModel):
|
||||
vessel: str
|
||||
stir_speed: float 疑似没有
|
||||
purpose: str
|
||||
|
||||
class StopStirProtocol(BaseModel):
|
||||
vessel: str 疑似没有
|
||||
|
||||
class TransferProtocol(BaseModel):
|
||||
from_vessel: str
|
||||
to_vessel: str
|
||||
volume: float
|
||||
amount: str = ""
|
||||
time: float = 0
|
||||
viscous: bool = False
|
||||
rinsing_solvent: str = ""
|
||||
rinsing_volume: float = 0.0
|
||||
rinsing_repeats: int = 0
|
||||
solid: bool = False 这个protocol早该删掉了
|
||||
|
||||
class CleanVesselProtocol(BaseModel):
|
||||
vessel: str
|
||||
solvent: str
|
||||
volume: float
|
||||
temp: float
|
||||
repeats: int = 1 <CleanVessel vessel="centrifuge"/>
|
||||
|
||||
class DissolveProtocol(BaseModel):
|
||||
vessel: str
|
||||
solvent: str
|
||||
volume: float <Dissolve mass="2.9 g" mol="0.12 mol" reagent="magnesium" vessel="main_reactor"/>
|
||||
amount: str = "" <Dissolve mass="12.9 g" reagent="4-tert-butylbenzyl bromide" vessel="main_reactor"/>
|
||||
temp: float = 25.0 <Dissolve solvent="diisopropyl ether" vessel="rotavap" volume="?"/>
|
||||
time: float = 0.0 <Dissolve event="A" mass="?" reagent="pyridinone" vessel="main_reactor"/>
|
||||
stir_speed: float = 0.0 测完了能跑✅
|
||||
|
||||
class FilterThroughProtocol(BaseModel):
|
||||
from_vessel: str
|
||||
to_vessel: str
|
||||
filter_through: str
|
||||
eluting_solvent: str = ""
|
||||
eluting_volume: float = 0.0 疑似没有
|
||||
eluting_repeats: int = 0
|
||||
residence_time: float = 0.0
|
||||
|
||||
class RunColumnProtocol(BaseModel):
|
||||
from_vessel: str
|
||||
to_vessel: str <RunColumn Rf="?" column="column" from_vessel="rotavap" pct1="40 %" pct2="50 %" solvent1="ethyl acetate" solvent2="hexane" to_vessel="rotavap"/>
|
||||
column: str 测完了能跑✅
|
||||
|
||||
class WashSolidProtocol(BaseModel):
|
||||
vessel: str
|
||||
solvent: str
|
||||
volume: float
|
||||
filtrate_vessel: str = "" <WashSolid repeats="4" solvent="water" vessel="main_reactor" volume="400 mL"/>
|
||||
temp: float = 25.0 <WashSolid filtrate_vessel="rotavap" solvent="formic acid" vessel="main_reactor" volume="?"/>
|
||||
stir: bool = False <WashSolid solvent="acetone" vessel="rotavap" volume="5 mL"/>
|
||||
<WashSolid solvent="ethyl alcohol" vessel="main_reactor" volume_spec="small volume"/>
|
||||
<WashSolid filtrate_vessel="rotavap" mass="10 g" solvent="toluene" vessel="separator"/>
|
||||
<WashSolid repeats_spec="several" solvent="water" vessel="main_reactor" volume="?"/>
|
||||
stir_speed: float = 0.0 测完了能跑✅
|
||||
time: float = 0.0
|
||||
repeats: int = 1
|
||||
|
||||
class AdjustPHProtocol(BaseModel):
|
||||
vessel: str = Field(..., description="目标容器")
|
||||
ph_value: float = Field(..., description="目标pH值") # 改为 ph_value
|
||||
reagent: str = Field(..., description="酸碱试剂名称")
|
||||
# 移除其他可选参数，使用默认值 <新写的，没问题>
|
||||
|
||||
class ResetHandlingProtocol(BaseModel):
|
||||
solvent: str = Field(..., description="溶剂名称") <新写的，没问题>
|
||||
|
||||
class DryProtocol(BaseModel):
|
||||
compound: str = Field(..., description="化合物名称") <新写的，没问题>
|
||||
vessel: str = Field(..., description="目标容器")
|
||||
|
||||
class RecrystallizeProtocol(BaseModel):
|
||||
ratio: str = Field(..., description="溶剂比例（如 '1:1', '3:7'）")
|
||||
solvent1: str = Field(..., description="第一种溶剂名称") <新写的，没问题>
|
||||
solvent2: str = Field(..., description="第二种溶剂名称")
|
||||
vessel: str = Field(..., description="目标容器")
|
||||
volume: float = Field(..., description="总体积 (mL)")
|
||||
|
||||
class HydrogenateProtocol(BaseModel):
|
||||
temp: str = Field(..., description="反应温度（如 '45 °C'）")
|
||||
time: str = Field(..., description="反应时间（如 '2 h'）") <新写的，没问题>
|
||||
vessel: str = Field(..., description="反应容器")
|
||||
|
||||
还差
|
||||
<dissolve>
|
||||
<separate>
|
||||
<CleanVessel vessel="centrifuge"/>
|
||||
|
||||
|
||||
单位修复：
|
||||
evaporate
|
||||
heatchill
|
||||
recrysitallize
|
||||
stir
|
||||
wash solid
|
||||
@@ -0,0 +1,70 @@
|
||||
{
|
||||
"nodes": [
|
||||
{
|
||||
"id": "OrganicSynthesisStation",
|
||||
"name": "有机化学流程综合测试工作站",
|
||||
"children": [
|
||||
"heater_1"
|
||||
],
|
||||
"parent": null,
|
||||
"type": "device",
|
||||
"class": "workstation",
|
||||
"position": {
|
||||
"x": 600,
|
||||
"y": 400,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"protocol_type": [
|
||||
"AddProtocol",
|
||||
"TransferProtocol",
|
||||
"StartStirProtocol",
|
||||
"StopStirProtocol",
|
||||
"StirProtocol",
|
||||
"RunColumnProtocol",
|
||||
"CentrifugeProtocol",
|
||||
"FilterProtocol",
|
||||
"CleanVesselProtocol",
|
||||
"DissolveProtocol",
|
||||
"FilterThroughProtocol",
|
||||
"WashSolidProtocol",
|
||||
"SeparateProtocol",
|
||||
"EvaporateProtocol",
|
||||
"HeatChillProtocol",
|
||||
"HeatChillStartProtocol",
|
||||
"HeatChillStopProtocol",
|
||||
"EvacuateAndRefillProtocol",
|
||||
"PumpTransferProtocol",
|
||||
"AdjustPHProtocol",
|
||||
"ResetHandlingProtocol",
|
||||
"DryProtocol",
|
||||
"HydrogenateProtocol",
|
||||
"RecrystallizeProtocol"
|
||||
]
|
||||
},
|
||||
"data": {}
|
||||
},
|
||||
{
|
||||
"id": "heater_1",
|
||||
"name": "加热器",
|
||||
"children": [],
|
||||
"parent": "OrganicSynthesisStation",
|
||||
"type": "device",
|
||||
"class": "virtual_heatchill",
|
||||
"position": {
|
||||
"x": 450,
|
||||
"y": 450,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_temp": 200.0,
|
||||
"min_temp": -20.0
|
||||
},
|
||||
"data": {
|
||||
"status": "Idle",
|
||||
"current_temp": 25.0
|
||||
}
|
||||
}
|
||||
],
|
||||
"links": []
|
||||
}
|
||||
1105
test/experiments/comprehensive_protocol/comprehensive_station.json
Normal file
1105
test/experiments/comprehensive_protocol/comprehensive_station.json
Normal file
File diff suppressed because it is too large
Load Diff
314
test/experiments/mock_devices/mock_all.json
Normal file
314
test/experiments/mock_devices/mock_all.json
Normal file
@@ -0,0 +1,314 @@
|
||||
{
|
||||
"nodes": [
|
||||
{
|
||||
"id": "MockChiller1",
|
||||
"name": "模拟冷却器",
|
||||
"children": [
|
||||
"MockContainerForChiller1"
|
||||
],
|
||||
"parent": null,
|
||||
"type": "device",
|
||||
"class": "mock_chiller",
|
||||
"position": {
|
||||
"x": 620.6111111111111,
|
||||
"y": 171,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"port": "MOCK"
|
||||
},
|
||||
"data": {
|
||||
"current_temperature": 25.0,
|
||||
"target_temperature": 25.0,
|
||||
"status": "Idle",
|
||||
"is_cooling": false,
|
||||
"is_heating": false,
|
||||
"vessel": "",
|
||||
"purpose": ""
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "MockContainerForChiller1",
|
||||
"name": "模拟容器",
|
||||
"type": "container",
|
||||
"parent": "MockChiller1",
|
||||
"position": {
|
||||
"x": 5,
|
||||
"y": 0,
|
||||
"z": 0
|
||||
},
|
||||
"data": {
|
||||
"liquid_type": "CuCl2",
|
||||
"liquid_volume": "100"
|
||||
},
|
||||
"children": []
|
||||
},
|
||||
{
|
||||
"id": "MockFilter1",
|
||||
"name": "模拟过滤器",
|
||||
"children": [],
|
||||
"parent": null,
|
||||
"type": "device",
|
||||
"class": "mock_filter",
|
||||
"position": {
|
||||
"x": 620.6111111111111,
|
||||
"y": 171,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"port": "MOCK"
|
||||
},
|
||||
"data": {
|
||||
"status": "Idle",
|
||||
"is_filtering": false,
|
||||
"flow_rate": 0.0,
|
||||
"filter_life": 100.0,
|
||||
"vessel": "",
|
||||
"filtrate_vessel": "",
|
||||
"filtered_volume": 0.0,
|
||||
"target_volume": 0.0,
|
||||
"progress": 0.0,
|
||||
"stir": false,
|
||||
"stir_speed": 0.0,
|
||||
"temperature": 25.0,
|
||||
"continue_heatchill": false
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "MockHeater1",
|
||||
"name": "模拟加热器",
|
||||
"children": [],
|
||||
"parent": null,
|
||||
"type": "device",
|
||||
"class": "mock_heater",
|
||||
"position": {
|
||||
"x": 620.6111111111111,
|
||||
"y": 171,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"port": "MOCK"
|
||||
},
|
||||
"data": {
|
||||
"current_temperature": 25.0,
|
||||
"target_temperature": 25.0,
|
||||
"status": "Idle",
|
||||
"is_heating": false,
|
||||
"heating_power": 0.0,
|
||||
"max_temperature": 300.0,
|
||||
"vessel": "Unknown",
|
||||
"purpose": "Unknown",
|
||||
"stir": false,
|
||||
"stir_speed": 0.0
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "MockPump1",
|
||||
"name": "模拟泵设备",
|
||||
"children": [],
|
||||
"parent": null,
|
||||
"type": "device",
|
||||
"class": "mock_pump",
|
||||
"position": {
|
||||
"x": 620.6111111111111,
|
||||
"y": 171,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"port": "MOCK"
|
||||
},
|
||||
"data": {
|
||||
"status": "Idle",
|
||||
"current_device": "MockPump1",
|
||||
"pump_state": "Stopped",
|
||||
"flow_rate": 0.0,
|
||||
"target_flow_rate": 0.0,
|
||||
"pressure": 0.0,
|
||||
"total_volume": 0.0,
|
||||
"max_flow_rate": 100.0,
|
||||
"max_pressure": 10.0,
|
||||
"from_vessel": "",
|
||||
"to_vessel": "",
|
||||
"transfer_volume": 0.0,
|
||||
"amount": "",
|
||||
"transfer_time": 0.0,
|
||||
"is_viscous": false,
|
||||
"rinsing_solvent": "",
|
||||
"rinsing_volume": 0.0,
|
||||
"rinsing_repeats": 0,
|
||||
"is_solid": false,
|
||||
"time_spent": 0.0,
|
||||
"time_remaining": 0.0
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "MockRotavap1",
|
||||
"name": "模拟旋转蒸发器",
|
||||
"children": [],
|
||||
"parent": null,
|
||||
"type": "device",
|
||||
"class": "mock_rotavap",
|
||||
"position": {
|
||||
"x": 620.6111111111111,
|
||||
"y": 171,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"port": "MOCK"
|
||||
},
|
||||
"data": {
|
||||
"status": "Idle",
|
||||
"rotate_state": "Stopped",
|
||||
"rotate_time": 0.0,
|
||||
"rotate_speed": 0.0,
|
||||
"pump_state": "Stopped",
|
||||
"pump_time": 0.0,
|
||||
"vacuum_level": 1013.25,
|
||||
"temperature": 25.0,
|
||||
"target_temperature": 25.0,
|
||||
"success": "True"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "MockSeparator1",
|
||||
"name": "模拟分离器",
|
||||
"children": [],
|
||||
"parent": null,
|
||||
"type": "device",
|
||||
"class": "mock_separator",
|
||||
"position": {
|
||||
"x": 620.6111111111111,
|
||||
"y": 171,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"port": "MOCK"
|
||||
},
|
||||
"data": {
|
||||
"status": "Idle",
|
||||
"settling_time": 0.0,
|
||||
"valve_state": "Closed",
|
||||
"shake_time": 0.0,
|
||||
"shake_status": "Not Shaking",
|
||||
"current_device": "MockSeparator1",
|
||||
"purpose": "",
|
||||
"product_phase": "",
|
||||
"from_vessel": "",
|
||||
"separation_vessel": "",
|
||||
"to_vessel": "",
|
||||
"waste_phase_to_vessel": "",
|
||||
"solvent": "",
|
||||
"solvent_volume": 0.0,
|
||||
"through": "",
|
||||
"repeats": 1,
|
||||
"stir_time": 0.0,
|
||||
"stir_speed": 0.0,
|
||||
"time_spent": 0.0,
|
||||
"time_remaining": 0.0
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "MockSolenoidValve1",
|
||||
"name": "模拟电磁阀",
|
||||
"children": [],
|
||||
"parent": null,
|
||||
"type": "device",
|
||||
"class": "mock_solenoid_valve",
|
||||
"position": {
|
||||
"x": 620.6111111111111,
|
||||
"y": 171,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"port": "MOCK"
|
||||
},
|
||||
"data": {
|
||||
"status": "Idle",
|
||||
"valve_status": "Closed"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "MockStirrer1NEW",
|
||||
"name": "模拟搅拌器(new)",
|
||||
"children": [],
|
||||
"parent": null,
|
||||
"type": "device",
|
||||
"class": "mock_stirrer_new",
|
||||
"position": {
|
||||
"x": 620.6111111111111,
|
||||
"y": 171,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"port": "MOCK"
|
||||
},
|
||||
"data": {
|
||||
"status": "Idle",
|
||||
"vessel": "",
|
||||
"purpose": "",
|
||||
"stir_speed": 0.0,
|
||||
"target_stir_speed": 0.0,
|
||||
"stir_state": "Stopped",
|
||||
"stir_time": 0.0,
|
||||
"settling_time": 0.0,
|
||||
"progress": 0.0,
|
||||
"max_stir_speed": 2000.0
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "MockStirrer1",
|
||||
"name": "模拟搅拌器",
|
||||
"children": [],
|
||||
"parent": null,
|
||||
"type": "device",
|
||||
"class": "mock_stirrer",
|
||||
"position": {
|
||||
"x": 620.6111111111111,
|
||||
"y": 171,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"port": "MOCK"
|
||||
},
|
||||
"data": {
|
||||
"status": "Idle",
|
||||
"stir_speed": 0.0,
|
||||
"target_stir_speed": 0.0,
|
||||
"stir_state": "Stopped",
|
||||
"temperature": 25.0,
|
||||
"target_temperature": 25.0,
|
||||
"heating_state": "Off",
|
||||
"heating_power": 0.0,
|
||||
"max_stir_speed": 2000.0,
|
||||
"max_temperature": 300.0
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "MockVacuum1",
|
||||
"name": "模拟真空泵",
|
||||
"children": [],
|
||||
"parent": null,
|
||||
"type": "device",
|
||||
"class": "mock_vacuum",
|
||||
"position": {
|
||||
"x": 620.6111111111111,
|
||||
"y": 171,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"port": "MOCK"
|
||||
},
|
||||
"data": {
|
||||
"status": "Idle",
|
||||
"power_state": "Off",
|
||||
"pump_state": "Stopped",
|
||||
"vacuum_level": 1013.25,
|
||||
"target_vacuum": 50.0,
|
||||
"pump_speed": 0.0,
|
||||
"pump_efficiency": 95.0,
|
||||
"max_pump_speed": 100.0
|
||||
}
|
||||
}
|
||||
],
|
||||
"links": []
|
||||
}
|
||||
30
test/experiments/mock_devices/mock_chiller.json
Normal file
30
test/experiments/mock_devices/mock_chiller.json
Normal file
@@ -0,0 +1,30 @@
|
||||
{
|
||||
"nodes": [
|
||||
{
|
||||
"id": "MockChiller1",
|
||||
"name": "模拟冷却器",
|
||||
"children": [],
|
||||
"parent": null,
|
||||
"type": "device",
|
||||
"class": "mock_chiller",
|
||||
"position": {
|
||||
"x": 620.6111111111111,
|
||||
"y": 171,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"port": "MOCK"
|
||||
},
|
||||
"data": {
|
||||
"current_temperature": 25.0,
|
||||
"target_temperature": 25.0,
|
||||
"status": "Idle",
|
||||
"is_cooling": false,
|
||||
"is_heating": false,
|
||||
"vessel": "",
|
||||
"purpose": ""
|
||||
}
|
||||
}
|
||||
],
|
||||
"links": []
|
||||
}
|
||||
36
test/experiments/mock_devices/mock_filter.json
Normal file
36
test/experiments/mock_devices/mock_filter.json
Normal file
@@ -0,0 +1,36 @@
|
||||
{
|
||||
"nodes": [
|
||||
{
|
||||
"id": "MockFilter1",
|
||||
"name": "模拟过滤器",
|
||||
"children": [],
|
||||
"parent": null,
|
||||
"type": "device",
|
||||
"class": "mock_filter",
|
||||
"position": {
|
||||
"x": 620.6111111111111,
|
||||
"y": 171,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"port": "MOCK"
|
||||
},
|
||||
"data": {
|
||||
"status": "Idle",
|
||||
"is_filtering": false,
|
||||
"flow_rate": 0.0,
|
||||
"filter_life": 100.0,
|
||||
"vessel": "",
|
||||
"filtrate_vessel": "",
|
||||
"filtered_volume": 0.0,
|
||||
"target_volume": 0.0,
|
||||
"progress": 0.0,
|
||||
"stir": false,
|
||||
"stir_speed": 0.0,
|
||||
"temperature": 25.0,
|
||||
"continue_heatchill": false
|
||||
}
|
||||
}
|
||||
],
|
||||
"links": []
|
||||
}
|
||||
33
test/experiments/mock_devices/mock_heater.json
Normal file
33
test/experiments/mock_devices/mock_heater.json
Normal file
@@ -0,0 +1,33 @@
|
||||
{
|
||||
"nodes": [
|
||||
{
|
||||
"id": "MockHeater1",
|
||||
"name": "模拟加热器",
|
||||
"children": [],
|
||||
"parent": null,
|
||||
"type": "device",
|
||||
"class": "mock_heater",
|
||||
"position": {
|
||||
"x": 620.6111111111111,
|
||||
"y": 171,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"port": "MOCK"
|
||||
},
|
||||
"data": {
|
||||
"current_temperature": 25.0,
|
||||
"target_temperature": 25.0,
|
||||
"status": "Idle",
|
||||
"is_heating": false,
|
||||
"heating_power": 0.0,
|
||||
"max_temperature": 300.0,
|
||||
"vessel": "Unknown",
|
||||
"purpose": "Unknown",
|
||||
"stir": false,
|
||||
"stir_speed": 0.0
|
||||
}
|
||||
}
|
||||
],
|
||||
"links": []
|
||||
}
|
||||
44
test/experiments/mock_devices/mock_pump.json
Normal file
44
test/experiments/mock_devices/mock_pump.json
Normal file
@@ -0,0 +1,44 @@
|
||||
{
|
||||
"nodes": [
|
||||
{
|
||||
"id": "MockPump1",
|
||||
"name": "模拟泵设备",
|
||||
"children": [],
|
||||
"parent": null,
|
||||
"type": "device",
|
||||
"class": "mock_pump",
|
||||
"position": {
|
||||
"x": 620.6111111111111,
|
||||
"y": 171,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"port": "MOCK"
|
||||
},
|
||||
"data": {
|
||||
"status": "Idle",
|
||||
"current_device": "MockPump1",
|
||||
"pump_state": "Stopped",
|
||||
"flow_rate": 0.0,
|
||||
"target_flow_rate": 0.0,
|
||||
"pressure": 0.0,
|
||||
"total_volume": 0.0,
|
||||
"max_flow_rate": 100.0,
|
||||
"max_pressure": 10.0,
|
||||
"from_vessel": "",
|
||||
"to_vessel": "",
|
||||
"transfer_volume": 0.0,
|
||||
"amount": "",
|
||||
"transfer_time": 0.0,
|
||||
"is_viscous": false,
|
||||
"rinsing_solvent": "",
|
||||
"rinsing_volume": 0.0,
|
||||
"rinsing_repeats": 0,
|
||||
"is_solid": false,
|
||||
"time_spent": 0.0,
|
||||
"time_remaining": 0.0
|
||||
}
|
||||
}
|
||||
],
|
||||
"links": []
|
||||
}
|
||||
33
test/experiments/mock_devices/mock_rotavap.json
Normal file
33
test/experiments/mock_devices/mock_rotavap.json
Normal file
@@ -0,0 +1,33 @@
|
||||
{
|
||||
"nodes": [
|
||||
{
|
||||
"id": "MockRotavap1",
|
||||
"name": "模拟旋转蒸发器",
|
||||
"children": [],
|
||||
"parent": null,
|
||||
"type": "device",
|
||||
"class": "mock_rotavap",
|
||||
"position": {
|
||||
"x": 620.6111111111111,
|
||||
"y": 171,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"port": "MOCK"
|
||||
},
|
||||
"data": {
|
||||
"status": "Idle",
|
||||
"rotate_state": "Stopped",
|
||||
"rotate_time": 0.0,
|
||||
"rotate_speed": 0.0,
|
||||
"pump_state": "Stopped",
|
||||
"pump_time": 0.0,
|
||||
"vacuum_level": 1013.25,
|
||||
"temperature": 25.0,
|
||||
"target_temperature": 25.0,
|
||||
"success": "True"
|
||||
}
|
||||
}
|
||||
],
|
||||
"links": []
|
||||
}
|
||||
43
test/experiments/mock_devices/mock_separator.json
Normal file
43
test/experiments/mock_devices/mock_separator.json
Normal file
@@ -0,0 +1,43 @@
|
||||
{
|
||||
"nodes": [
|
||||
{
|
||||
"id": "MockSeparator1",
|
||||
"name": "模拟分离器",
|
||||
"children": [],
|
||||
"parent": null,
|
||||
"type": "device",
|
||||
"class": "mock_separator",
|
||||
"position": {
|
||||
"x": 620.6111111111111,
|
||||
"y": 171,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"port": "MOCK"
|
||||
},
|
||||
"data": {
|
||||
"status": "Idle",
|
||||
"settling_time": 0.0,
|
||||
"valve_state": "Closed",
|
||||
"shake_time": 0.0,
|
||||
"shake_status": "Not Shaking",
|
||||
"current_device": "MockSeparator1",
|
||||
"purpose": "",
|
||||
"product_phase": "",
|
||||
"from_vessel": "",
|
||||
"separation_vessel": "",
|
||||
"to_vessel": "",
|
||||
"waste_phase_to_vessel": "",
|
||||
"solvent": "",
|
||||
"solvent_volume": 0.0,
|
||||
"through": "",
|
||||
"repeats": 1,
|
||||
"stir_time": 0.0,
|
||||
"stir_speed": 0.0,
|
||||
"time_spent": 0.0,
|
||||
"time_remaining": 0.0
|
||||
}
|
||||
}
|
||||
],
|
||||
"links": []
|
||||
}
|
||||
25
test/experiments/mock_devices/mock_solenoid_valve.json
Normal file
25
test/experiments/mock_devices/mock_solenoid_valve.json
Normal file
@@ -0,0 +1,25 @@
|
||||
{
|
||||
"nodes": [
|
||||
{
|
||||
"id": "MockSolenoidValve1",
|
||||
"name": "模拟电磁阀",
|
||||
"children": [],
|
||||
"parent": null,
|
||||
"type": "device",
|
||||
"class": "mock_solenoid_valve",
|
||||
"position": {
|
||||
"x": 620.6111111111111,
|
||||
"y": 171,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"port": "MOCK"
|
||||
},
|
||||
"data": {
|
||||
"status": "Idle",
|
||||
"valve_status": "Closed"
|
||||
}
|
||||
}
|
||||
],
|
||||
"links": []
|
||||
}
|
||||
33
test/experiments/mock_devices/mock_stirrer.json
Normal file
33
test/experiments/mock_devices/mock_stirrer.json
Normal file
@@ -0,0 +1,33 @@
|
||||
{
|
||||
"nodes": [
|
||||
{
|
||||
"id": "MockStirrer1",
|
||||
"name": "模拟搅拌器",
|
||||
"children": [],
|
||||
"parent": null,
|
||||
"type": "device",
|
||||
"class": "mock_stirrer",
|
||||
"position": {
|
||||
"x": 620.6111111111111,
|
||||
"y": 171,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"port": "MOCK"
|
||||
},
|
||||
"data": {
|
||||
"status": "Idle",
|
||||
"stir_speed": 0.0,
|
||||
"target_stir_speed": 0.0,
|
||||
"stir_state": "Stopped",
|
||||
"temperature": 25.0,
|
||||
"target_temperature": 25.0,
|
||||
"heating_state": "Off",
|
||||
"heating_power": 0.0,
|
||||
"max_stir_speed": 2000.0,
|
||||
"max_temperature": 300.0
|
||||
}
|
||||
}
|
||||
],
|
||||
"links": []
|
||||
}
|
||||
33
test/experiments/mock_devices/mock_stirrer_new.json
Normal file
33
test/experiments/mock_devices/mock_stirrer_new.json
Normal file
@@ -0,0 +1,33 @@
|
||||
{
|
||||
"nodes": [
|
||||
{
|
||||
"id": "MockStirrer1COPY",
|
||||
"name": "模拟搅拌器(Copy)",
|
||||
"children": [],
|
||||
"parent": null,
|
||||
"type": "device",
|
||||
"class": "mock_stirrer_new",
|
||||
"position": {
|
||||
"x": 620.6111111111111,
|
||||
"y": 171,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"port": "MOCK"
|
||||
},
|
||||
"data": {
|
||||
"status": "Idle",
|
||||
"vessel": "",
|
||||
"purpose": "",
|
||||
"stir_speed": 0.0,
|
||||
"target_stir_speed": 0.0,
|
||||
"stir_state": "Stopped",
|
||||
"stir_time": 0.0,
|
||||
"settling_time": 0.0,
|
||||
"progress": 0.0,
|
||||
"max_stir_speed": 2000.0
|
||||
}
|
||||
}
|
||||
],
|
||||
"links": []
|
||||
}
|
||||
31
test/experiments/mock_devices/mock_vacuum.json
Normal file
31
test/experiments/mock_devices/mock_vacuum.json
Normal file
@@ -0,0 +1,31 @@
|
||||
{
|
||||
"nodes": [
|
||||
{
|
||||
"id": "MockVacuum1",
|
||||
"name": "模拟真空泵",
|
||||
"children": [],
|
||||
"parent": null,
|
||||
"type": "device",
|
||||
"class": "mock_vacuum",
|
||||
"position": {
|
||||
"x": 620.6111111111111,
|
||||
"y": 171,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"port": "MOCK"
|
||||
},
|
||||
"data": {
|
||||
"status": "Idle",
|
||||
"power_state": "Off",
|
||||
"pump_state": "Stopped",
|
||||
"vacuum_level": 1013.25,
|
||||
"target_vacuum": 50.0,
|
||||
"pump_speed": 0.0,
|
||||
"pump_efficiency": 95.0,
|
||||
"max_pump_speed": 100.0
|
||||
}
|
||||
}
|
||||
],
|
||||
"links": []
|
||||
}
|
||||
376
test/experiments/mock_protocol/addteststation.json
Normal file
376
test/experiments/mock_protocol/addteststation.json
Normal file
@@ -0,0 +1,376 @@
|
||||
{
|
||||
"nodes": [
|
||||
{
|
||||
"id": "AddTestStation",
|
||||
"name": "添加试剂测试工作站",
|
||||
"children": [
|
||||
"transfer_pump",
|
||||
"multiway_valve",
|
||||
"stirrer",
|
||||
"flask_reagent1",
|
||||
"flask_reagent2",
|
||||
"flask_reagent3",
|
||||
"flask_reagent4",
|
||||
"reactor",
|
||||
"flask_waste",
|
||||
"flask_rinsing",
|
||||
"flask_buffer"
|
||||
],
|
||||
"parent": null,
|
||||
"type": "device",
|
||||
"class": "workstation",
|
||||
"position": {
|
||||
"x": 620,
|
||||
"y": 171,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"protocol_type": ["AddProtocol", "TransferProtocol", "StartStirProtocol", "StopStirProtocol"]
|
||||
},
|
||||
"data": {}
|
||||
},
|
||||
{
|
||||
"id": "transfer_pump",
|
||||
"name": "注射器泵",
|
||||
"children": [],
|
||||
"parent": "AddTestStation",
|
||||
"type": "device",
|
||||
"class": "virtual_transfer_pump",
|
||||
"position": {
|
||||
"x": 520,
|
||||
"y": 300,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"port": "VIRTUAL",
|
||||
"max_volume": 50.0,
|
||||
"transfer_rate": 5.0
|
||||
},
|
||||
"data": {
|
||||
"status": "Idle"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "multiway_valve",
|
||||
"name": "八通阀门",
|
||||
"children": [],
|
||||
"parent": "AddTestStation",
|
||||
"type": "device",
|
||||
"class": "virtual_multiway_valve",
|
||||
"position": {
|
||||
"x": 420,
|
||||
"y": 300,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"port": "VIRTUAL",
|
||||
"positions": 8
|
||||
},
|
||||
"data": {
|
||||
"status": "Idle",
|
||||
"current_position": 1
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "stirrer",
|
||||
"name": "搅拌器",
|
||||
"children": [],
|
||||
"parent": "AddTestStation",
|
||||
"type": "device",
|
||||
"class": "virtual_stirrer",
|
||||
"position": {
|
||||
"x": 720,
|
||||
"y": 450,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"port": "VIRTUAL",
|
||||
"max_temp": 100.0,
|
||||
"max_speed": 1000.0
|
||||
},
|
||||
"data": {
|
||||
"status": "Idle"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "flask_reagent1",
|
||||
"name": "试剂瓶1 (甲醇)",
|
||||
"children": [],
|
||||
"parent": "AddTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 100,
|
||||
"y": 400,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 1000.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": [
|
||||
{
|
||||
"name": "甲醇",
|
||||
"volume": 800.0,
|
||||
"concentration": "99.9%"
|
||||
}
|
||||
]
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "flask_reagent2",
|
||||
"name": "试剂瓶2 (乙醇)",
|
||||
"children": [],
|
||||
"parent": "AddTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 180,
|
||||
"y": 400,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 1000.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": [
|
||||
{
|
||||
"name": "乙醇",
|
||||
"volume": 750.0,
|
||||
"concentration": "95%"
|
||||
}
|
||||
]
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "flask_reagent3",
|
||||
"name": "试剂瓶3 (丙酮)",
|
||||
"children": [],
|
||||
"parent": "AddTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 260,
|
||||
"y": 400,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 1000.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": [
|
||||
{
|
||||
"name": "丙酮",
|
||||
"volume": 900.0,
|
||||
"concentration": "99.5%"
|
||||
}
|
||||
]
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "flask_reagent4",
|
||||
"name": "试剂瓶4 (二氯甲烷)",
|
||||
"children": [],
|
||||
"parent": "AddTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 340,
|
||||
"y": 400,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 1000.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": [
|
||||
{
|
||||
"name": "二氯甲烷",
|
||||
"volume": 850.0,
|
||||
"concentration": "99.8%"
|
||||
}
|
||||
]
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "reactor",
|
||||
"name": "反应器",
|
||||
"children": [],
|
||||
"parent": "AddTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 720,
|
||||
"y": 400,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 2000.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": []
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "flask_waste",
|
||||
"name": "废液瓶",
|
||||
"children": [],
|
||||
"parent": "AddTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 850,
|
||||
"y": 400,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 3000.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": []
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "flask_rinsing",
|
||||
"name": "冲洗液瓶",
|
||||
"children": [],
|
||||
"parent": "AddTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 950,
|
||||
"y": 300,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 1000.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": [
|
||||
{
|
||||
"name": "去离子水",
|
||||
"volume": 800.0,
|
||||
"concentration": "纯净"
|
||||
}
|
||||
]
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "flask_buffer",
|
||||
"name": "缓冲液瓶",
|
||||
"children": [],
|
||||
"parent": "AddTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 950,
|
||||
"y": 400,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 1000.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": [
|
||||
{
|
||||
"name": "磷酸盐缓冲液",
|
||||
"volume": 700.0,
|
||||
"concentration": "0.1M, pH 7.4"
|
||||
}
|
||||
]
|
||||
}
|
||||
}
|
||||
],
|
||||
"links": [
|
||||
{
|
||||
"source": "transfer_pump",
|
||||
"target": "multiway_valve",
|
||||
"type": "physical",
|
||||
"port": {
|
||||
"transfer_pump": "syringe-port",
|
||||
"multiway_valve": "multiway-valve-inlet"
|
||||
}
|
||||
},
|
||||
{
|
||||
"source": "multiway_valve",
|
||||
"target": "flask_reagent1",
|
||||
"type": "physical",
|
||||
"port": {
|
||||
"multiway_valve": "multiway-valve-port-1",
|
||||
"flask_reagent1": "top"
|
||||
}
|
||||
},
|
||||
{
|
||||
"source": "multiway_valve",
|
||||
"target": "flask_reagent2",
|
||||
"type": "physical",
|
||||
"port": {
|
||||
"multiway_valve": "multiway-valve-port-2",
|
||||
"flask_reagent2": "top"
|
||||
}
|
||||
},
|
||||
{
|
||||
"source": "multiway_valve",
|
||||
"target": "flask_reagent3",
|
||||
"type": "physical",
|
||||
"port": {
|
||||
"multiway_valve": "multiway-valve-port-3",
|
||||
"flask_reagent3": "top"
|
||||
}
|
||||
},
|
||||
{
|
||||
"source": "multiway_valve",
|
||||
"target": "flask_reagent4",
|
||||
"type": "physical",
|
||||
"port": {
|
||||
"multiway_valve": "multiway-valve-port-4",
|
||||
"flask_reagent4": "top"
|
||||
}
|
||||
},
|
||||
{
|
||||
"source": "multiway_valve",
|
||||
"target": "reactor",
|
||||
"type": "physical",
|
||||
"port": {
|
||||
"multiway_valve": "multiway-valve-port-5",
|
||||
"reactor": "top"
|
||||
}
|
||||
},
|
||||
{
|
||||
"source": "multiway_valve",
|
||||
"target": "flask_waste",
|
||||
"type": "physical",
|
||||
"port": {
|
||||
"multiway_valve": "multiway-valve-port-6",
|
||||
"flask_waste": "top"
|
||||
}
|
||||
},
|
||||
{
|
||||
"source": "multiway_valve",
|
||||
"target": "flask_rinsing",
|
||||
"type": "physical",
|
||||
"port": {
|
||||
"multiway_valve": "multiway-valve-port-7",
|
||||
"flask_rinsing": "top"
|
||||
}
|
||||
},
|
||||
{
|
||||
"source": "multiway_valve",
|
||||
"target": "flask_buffer",
|
||||
"type": "physical",
|
||||
"port": {
|
||||
"multiway_valve": "multiway-valve-port-8",
|
||||
"flask_buffer": "top"
|
||||
}
|
||||
},
|
||||
{
|
||||
"source": "stirrer",
|
||||
"target": "reactor",
|
||||
"type": "physical",
|
||||
"port": {
|
||||
"stirrer": "stirrer-vessel",
|
||||
"reactor": "bottom"
|
||||
}
|
||||
}
|
||||
]
|
||||
}
|
||||
271
test/experiments/mock_protocol/centrifugeteststation.json
Normal file
271
test/experiments/mock_protocol/centrifugeteststation.json
Normal file
@@ -0,0 +1,271 @@
|
||||
{
|
||||
"nodes": [
|
||||
{
|
||||
"id": "CentrifugeTestStation",
|
||||
"name": "离心机测试工作站",
|
||||
"children": [
|
||||
"pump_add",
|
||||
"flask_1",
|
||||
"flask_2",
|
||||
"flask_3",
|
||||
"reactor",
|
||||
"stirrer",
|
||||
"centrifuge_1",
|
||||
"flask_air"
|
||||
],
|
||||
"parent": null,
|
||||
"type": "device",
|
||||
"class": "workstation",
|
||||
"position": {
|
||||
"x": 620.6111111111111,
|
||||
"y": 171,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"protocol_type": ["AddProtocol", "PumpTransferProtocol", "CleanProtocol", "CentrifugeProtocol"]
|
||||
},
|
||||
"data": {}
|
||||
},
|
||||
{
|
||||
"id": "pump_add",
|
||||
"name": "pump_add",
|
||||
"children": [],
|
||||
"parent": "CentrifugeTestStation",
|
||||
"type": "device",
|
||||
"class": "virtual_pump",
|
||||
"position": {
|
||||
"x": 520.6111111111111,
|
||||
"y": 300,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"port": "VIRTUAL",
|
||||
"max_volume": 25.0
|
||||
},
|
||||
"data": {
|
||||
"status": "Idle"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "stirrer",
|
||||
"name": "stirrer",
|
||||
"children": [],
|
||||
"parent": "CentrifugeTestStation",
|
||||
"type": "device",
|
||||
"class": "virtual_stirrer",
|
||||
"position": {
|
||||
"x": 650.1111111111111,
|
||||
"y": 478,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"port": "VIRTUAL",
|
||||
"max_temp": 100.0,
|
||||
"max_speed": 1000.0
|
||||
},
|
||||
"data": {
|
||||
"status": "Idle"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "centrifuge_1",
|
||||
"name": "离心机",
|
||||
"children": [],
|
||||
"parent": "CentrifugeTestStation",
|
||||
"type": "device",
|
||||
"class": "virtual_centrifuge",
|
||||
"position": {
|
||||
"x": 800,
|
||||
"y": 300,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"port": "VIRTUAL",
|
||||
"max_speed": 15000.0,
|
||||
"max_temp": 40.0,
|
||||
"min_temp": 4.0
|
||||
},
|
||||
"data": {
|
||||
"status": "Idle"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "flask_1",
|
||||
"name": "样品瓶1",
|
||||
"children": [],
|
||||
"parent": "CentrifugeTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 100,
|
||||
"y": 428,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 1500.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": []
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "flask_2",
|
||||
"name": "样品瓶2",
|
||||
"children": [],
|
||||
"parent": "CentrifugeTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 250,
|
||||
"y": 428,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 1500.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": []
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "flask_3",
|
||||
"name": "缓冲液瓶",
|
||||
"children": [],
|
||||
"parent": "CentrifugeTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 400,
|
||||
"y": 428,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 2000.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": []
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "reactor",
|
||||
"name": "反应器",
|
||||
"children": [],
|
||||
"parent": "CentrifugeTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 698.1111111111111,
|
||||
"y": 428,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 5000.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": []
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "flask_air",
|
||||
"name": "空气瓶",
|
||||
"children": [],
|
||||
"parent": "CentrifugeTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 950,
|
||||
"y": 300,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 2000.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": []
|
||||
}
|
||||
}
|
||||
],
|
||||
"links": [
|
||||
{
|
||||
"source": "stirrer",
|
||||
"target": "reactor",
|
||||
"type": "physical",
|
||||
"port": {
|
||||
"stirrer": "top",
|
||||
"reactor": "bottom"
|
||||
}
|
||||
},
|
||||
{
|
||||
"source": "pump_add",
|
||||
"target": "flask_1",
|
||||
"type": "physical",
|
||||
"port": {
|
||||
"pump_add": "outlet",
|
||||
"flask_1": "top"
|
||||
}
|
||||
},
|
||||
{
|
||||
"source": "pump_add",
|
||||
"target": "flask_2",
|
||||
"type": "physical",
|
||||
"port": {
|
||||
"pump_add": "inlet",
|
||||
"flask_2": "top"
|
||||
}
|
||||
},
|
||||
{
|
||||
"source": "pump_add",
|
||||
"target": "flask_3",
|
||||
"type": "physical",
|
||||
"port": {
|
||||
"pump_add": "inlet",
|
||||
"flask_3": "top"
|
||||
}
|
||||
},
|
||||
{
|
||||
"source": "pump_add",
|
||||
"target": "reactor",
|
||||
"type": "physical",
|
||||
"port": {
|
||||
"pump_add": "outlet",
|
||||
"reactor": "top"
|
||||
}
|
||||
},
|
||||
{
|
||||
"source": "pump_add",
|
||||
"target": "flask_air",
|
||||
"type": "physical",
|
||||
"port": {
|
||||
"pump_add": "inlet",
|
||||
"flask_air": "top"
|
||||
}
|
||||
},
|
||||
{
|
||||
"source": "centrifuge_1",
|
||||
"target": "reactor",
|
||||
"type": "logical",
|
||||
"port": {
|
||||
"centrifuge_1": "chamber",
|
||||
"reactor": "vessel"
|
||||
}
|
||||
},
|
||||
{
|
||||
"source": "centrifuge_1",
|
||||
"target": "flask_1",
|
||||
"type": "logical",
|
||||
"port": {
|
||||
"centrifuge_1": "chamber",
|
||||
"flask_1": "vessel"
|
||||
}
|
||||
},
|
||||
{
|
||||
"source": "centrifuge_1",
|
||||
"target": "flask_2",
|
||||
"type": "logical",
|
||||
"port": {
|
||||
"centrifuge_1": "chamber",
|
||||
"flask_2": "vessel"
|
||||
}
|
||||
}
|
||||
]
|
||||
}
|
||||
362
test/experiments/mock_protocol/cleanvesselteststation.json
Normal file
362
test/experiments/mock_protocol/cleanvesselteststation.json
Normal file
@@ -0,0 +1,362 @@
|
||||
{
|
||||
"nodes": [
|
||||
{
|
||||
"id": "CleanVesselTestStation",
|
||||
"name": "容器清洗测试工作站",
|
||||
"children": [
|
||||
"transfer_pump_cleaner",
|
||||
"heatchill_1",
|
||||
"flask_water",
|
||||
"flask_ethanol",
|
||||
"flask_acetone",
|
||||
"flask_waste",
|
||||
"reactor",
|
||||
"flask_buffer",
|
||||
"flask_sample",
|
||||
"flask_air"
|
||||
],
|
||||
"parent": null,
|
||||
"type": "device",
|
||||
"class": "workstation",
|
||||
"position": {
|
||||
"x": 620.6111111111111,
|
||||
"y": 171,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"protocol_type": ["CleanVesselProtocol", "TransferProtocol", "AddProtocol"]
|
||||
},
|
||||
"data": {}
|
||||
},
|
||||
{
|
||||
"id": "transfer_pump_cleaner",
|
||||
"name": "清洗转移泵",
|
||||
"children": [],
|
||||
"parent": "CleanVesselTestStation",
|
||||
"type": "device",
|
||||
"class": "virtual_transfer_pump",
|
||||
"position": {
|
||||
"x": 520.6111111111111,
|
||||
"y": 300,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"port": "VIRTUAL",
|
||||
"max_volume": 50.0,
|
||||
"transfer_rate": 10.0
|
||||
},
|
||||
"data": {
|
||||
"status": "Idle",
|
||||
"current_volume": 0.0,
|
||||
"max_volume": 50.0,
|
||||
"transfer_rate": 10.0,
|
||||
"from_vessel": "",
|
||||
"to_vessel": "",
|
||||
"progress": 0.0,
|
||||
"transferred_volume": 0.0,
|
||||
"current_status": "Ready"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "heatchill_1",
|
||||
"name": "加热冷却器",
|
||||
"children": [],
|
||||
"parent": "CleanVesselTestStation",
|
||||
"type": "device",
|
||||
"class": "virtual_heatchill",
|
||||
"position": {
|
||||
"x": 650.1111111111111,
|
||||
"y": 478,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"port": "VIRTUAL",
|
||||
"max_temp": 150.0,
|
||||
"min_temp": -20.0
|
||||
},
|
||||
"data": {
|
||||
"status": "Idle",
|
||||
"current_temp": 25.0,
|
||||
"target_temp": 25.0,
|
||||
"vessel": "",
|
||||
"purpose": "",
|
||||
"progress": 0.0,
|
||||
"current_status": "Ready"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "flask_water",
|
||||
"name": "水溶剂瓶",
|
||||
"children": [],
|
||||
"parent": "CleanVesselTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 100,
|
||||
"y": 428,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 2000.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": [
|
||||
{
|
||||
"name": "water",
|
||||
"volume": 1500.0,
|
||||
"concentration": 100.0
|
||||
}
|
||||
]
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "flask_ethanol",
|
||||
"name": "乙醇溶剂瓶",
|
||||
"children": [],
|
||||
"parent": "CleanVesselTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 250,
|
||||
"y": 428,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 2000.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": [
|
||||
{
|
||||
"name": "ethanol",
|
||||
"volume": 1500.0,
|
||||
"concentration": 99.5
|
||||
}
|
||||
]
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "flask_acetone",
|
||||
"name": "丙酮溶剂瓶",
|
||||
"children": [],
|
||||
"parent": "CleanVesselTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 400,
|
||||
"y": 428,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 2000.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": [
|
||||
{
|
||||
"name": "acetone",
|
||||
"volume": 1800.0,
|
||||
"concentration": 99.9
|
||||
}
|
||||
]
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "flask_waste",
|
||||
"name": "废液瓶",
|
||||
"children": [],
|
||||
"parent": "CleanVesselTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 550,
|
||||
"y": 428,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 5000.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": []
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "reactor",
|
||||
"name": "反应器",
|
||||
"children": [],
|
||||
"parent": "CleanVesselTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 698.1111111111111,
|
||||
"y": 428,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 1000.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": [
|
||||
{
|
||||
"name": "residue",
|
||||
"volume": 50.0,
|
||||
"concentration": 100.0
|
||||
}
|
||||
]
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "flask_buffer",
|
||||
"name": "缓冲液瓶",
|
||||
"children": [],
|
||||
"parent": "CleanVesselTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 850,
|
||||
"y": 428,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 2000.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": [
|
||||
{
|
||||
"name": "buffer",
|
||||
"volume": 1000.0,
|
||||
"concentration": 10.0
|
||||
}
|
||||
]
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "flask_sample",
|
||||
"name": "样品瓶",
|
||||
"children": [],
|
||||
"parent": "CleanVesselTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 1000,
|
||||
"y": 428,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 500.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": []
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "flask_air",
|
||||
"name": "空气瓶",
|
||||
"children": [],
|
||||
"parent": "CleanVesselTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 950,
|
||||
"y": 300,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 2000.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": []
|
||||
}
|
||||
}
|
||||
],
|
||||
"links": [
|
||||
{
|
||||
"source": "transfer_pump_cleaner",
|
||||
"target": "flask_water",
|
||||
"type": "physical",
|
||||
"port": {
|
||||
"transfer_pump_cleaner": "1",
|
||||
"flask_water": "top"
|
||||
}
|
||||
},
|
||||
{
|
||||
"source": "transfer_pump_cleaner",
|
||||
"target": "flask_ethanol",
|
||||
"type": "physical",
|
||||
"port": {
|
||||
"transfer_pump_cleaner": "2",
|
||||
"flask_ethanol": "top"
|
||||
}
|
||||
},
|
||||
{
|
||||
"source": "transfer_pump_cleaner",
|
||||
"target": "flask_acetone",
|
||||
"type": "physical",
|
||||
"port": {
|
||||
"transfer_pump_cleaner": "3",
|
||||
"flask_acetone": "top"
|
||||
}
|
||||
},
|
||||
{
|
||||
"source": "transfer_pump_cleaner",
|
||||
"target": "flask_waste",
|
||||
"type": "physical",
|
||||
"port": {
|
||||
"transfer_pump_cleaner": "4",
|
||||
"flask_waste": "top"
|
||||
}
|
||||
},
|
||||
{
|
||||
"source": "transfer_pump_cleaner",
|
||||
"target": "reactor",
|
||||
"type": "physical",
|
||||
"port": {
|
||||
"transfer_pump_cleaner": "5",
|
||||
"reactor": "top"
|
||||
}
|
||||
},
|
||||
{
|
||||
"source": "transfer_pump_cleaner",
|
||||
"target": "flask_buffer",
|
||||
"type": "physical",
|
||||
"port": {
|
||||
"transfer_pump_cleaner": "6",
|
||||
"flask_buffer": "top"
|
||||
}
|
||||
},
|
||||
{
|
||||
"source": "transfer_pump_cleaner",
|
||||
"target": "flask_sample",
|
||||
"type": "physical",
|
||||
"port": {
|
||||
"transfer_pump_cleaner": "7",
|
||||
"flask_sample": "top"
|
||||
}
|
||||
},
|
||||
{
|
||||
"source": "transfer_pump_cleaner",
|
||||
"target": "flask_air",
|
||||
"type": "physical",
|
||||
"port": {
|
||||
"transfer_pump_cleaner": "8",
|
||||
"flask_air": "top"
|
||||
}
|
||||
},
|
||||
{
|
||||
"source": "heatchill_1",
|
||||
"target": "reactor",
|
||||
"type": "physical",
|
||||
"port": {
|
||||
"heatchill_1": "heating_element",
|
||||
"reactor": "bottom"
|
||||
}
|
||||
},
|
||||
{
|
||||
"source": "heatchill_1",
|
||||
"target": "flask_sample",
|
||||
"type": "physical",
|
||||
"port": {
|
||||
"heatchill_1": "heating_element",
|
||||
"flask_sample": "bottom"
|
||||
}
|
||||
}
|
||||
]
|
||||
}
|
||||
343
test/experiments/mock_protocol/dissolveteststation.json
Normal file
343
test/experiments/mock_protocol/dissolveteststation.json
Normal file
@@ -0,0 +1,343 @@
|
||||
{
|
||||
"nodes": [
|
||||
{
|
||||
"id": "DissolveTestStation",
|
||||
"name": "溶解测试工作站",
|
||||
"children": [
|
||||
"transfer_pump_1",
|
||||
"heatchill_1",
|
||||
"stirrer_1",
|
||||
"flask_water",
|
||||
"flask_ethanol",
|
||||
"flask_dmso",
|
||||
"reactor",
|
||||
"flask_sample",
|
||||
"flask_buffer"
|
||||
],
|
||||
"parent": null,
|
||||
"type": "device",
|
||||
"class": "workstation",
|
||||
"position": {
|
||||
"x": 620.6111111111111,
|
||||
"y": 171,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"protocol_type": ["DissolveProtocol", "TransferProtocol", "HeatChillProtocol", "StirProtocol"]
|
||||
},
|
||||
"data": {}
|
||||
},
|
||||
{
|
||||
"id": "transfer_pump_1",
|
||||
"name": "转移泵",
|
||||
"children": [],
|
||||
"parent": "DissolveTestStation",
|
||||
"type": "device",
|
||||
"class": "virtual_transfer_pump",
|
||||
"position": {
|
||||
"x": 520.6111111111111,
|
||||
"y": 300,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"port": "VIRTUAL",
|
||||
"max_volume": 50.0,
|
||||
"transfer_rate": 10.0
|
||||
},
|
||||
"data": {
|
||||
"status": "Idle",
|
||||
"current_volume": 0.0,
|
||||
"max_volume": 50.0,
|
||||
"transfer_rate": 10.0,
|
||||
"from_vessel": "",
|
||||
"to_vessel": "",
|
||||
"progress": 0.0,
|
||||
"transferred_volume": 0.0,
|
||||
"current_status": "Ready"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "heatchill_1",
|
||||
"name": "加热冷却器",
|
||||
"children": [],
|
||||
"parent": "DissolveTestStation",
|
||||
"type": "device",
|
||||
"class": "virtual_heatchill",
|
||||
"position": {
|
||||
"x": 650.1111111111111,
|
||||
"y": 478,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"port": "VIRTUAL",
|
||||
"max_temp": 150.0,
|
||||
"min_temp": -20.0
|
||||
},
|
||||
"data": {
|
||||
"status": "Idle",
|
||||
"current_temp": 25.0,
|
||||
"target_temp": 25.0,
|
||||
"vessel": "",
|
||||
"purpose": "",
|
||||
"progress": 0.0,
|
||||
"current_status": "Ready"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "stirrer_1",
|
||||
"name": "搅拌器",
|
||||
"children": [],
|
||||
"parent": "DissolveTestStation",
|
||||
"type": "device",
|
||||
"class": "virtual_stirrer",
|
||||
"position": {
|
||||
"x": 750.1111111111111,
|
||||
"y": 300,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"port": "VIRTUAL",
|
||||
"max_speed": 1000.0
|
||||
},
|
||||
"data": {
|
||||
"status": "Idle"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "flask_water",
|
||||
"name": "水溶剂瓶",
|
||||
"children": [],
|
||||
"parent": "DissolveTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 100,
|
||||
"y": 428,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 2000.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": [
|
||||
{
|
||||
"name": "water",
|
||||
"volume": 1500.0,
|
||||
"concentration": 100.0
|
||||
}
|
||||
]
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "flask_ethanol",
|
||||
"name": "乙醇溶剂瓶",
|
||||
"children": [],
|
||||
"parent": "DissolveTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 250,
|
||||
"y": 428,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 2000.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": [
|
||||
{
|
||||
"name": "ethanol",
|
||||
"volume": 1500.0,
|
||||
"concentration": 99.5
|
||||
}
|
||||
]
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "flask_dmso",
|
||||
"name": "DMSO溶剂瓶",
|
||||
"children": [],
|
||||
"parent": "DissolveTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 400,
|
||||
"y": 428,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 1000.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": [
|
||||
{
|
||||
"name": "dmso",
|
||||
"volume": 800.0,
|
||||
"concentration": 99.9
|
||||
}
|
||||
]
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "reactor",
|
||||
"name": "反应器",
|
||||
"children": [],
|
||||
"parent": "DissolveTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 698.1111111111111,
|
||||
"y": 428,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 1000.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": [
|
||||
{
|
||||
"name": "solid_sample",
|
||||
"volume": 10.0,
|
||||
"concentration": 100.0
|
||||
}
|
||||
]
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "flask_sample",
|
||||
"name": "样品瓶",
|
||||
"children": [],
|
||||
"parent": "DissolveTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 1000,
|
||||
"y": 428,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 500.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": []
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "flask_buffer",
|
||||
"name": "缓冲液瓶",
|
||||
"children": [],
|
||||
"parent": "DissolveTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 850,
|
||||
"y": 428,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 2000.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": [
|
||||
{
|
||||
"name": "buffer",
|
||||
"volume": 1000.0,
|
||||
"concentration": 10.0
|
||||
}
|
||||
]
|
||||
}
|
||||
}
|
||||
],
|
||||
"links": [
|
||||
{
|
||||
"source": "transfer_pump_1",
|
||||
"target": "flask_water",
|
||||
"type": "physical",
|
||||
"port": {
|
||||
"transfer_pump_1": "1",
|
||||
"flask_water": "top"
|
||||
}
|
||||
},
|
||||
{
|
||||
"source": "transfer_pump_1",
|
||||
"target": "flask_ethanol",
|
||||
"type": "physical",
|
||||
"port": {
|
||||
"transfer_pump_1": "2",
|
||||
"flask_ethanol": "top"
|
||||
}
|
||||
},
|
||||
{
|
||||
"source": "transfer_pump_1",
|
||||
"target": "flask_dmso",
|
||||
"type": "physical",
|
||||
"port": {
|
||||
"transfer_pump_1": "3",
|
||||
"flask_dmso": "top"
|
||||
}
|
||||
},
|
||||
{
|
||||
"source": "transfer_pump_1",
|
||||
"target": "reactor",
|
||||
"type": "physical",
|
||||
"port": {
|
||||
"transfer_pump_1": "4",
|
||||
"reactor": "top"
|
||||
}
|
||||
},
|
||||
{
|
||||
"source": "transfer_pump_1",
|
||||
"target": "flask_sample",
|
||||
"type": "physical",
|
||||
"port": {
|
||||
"transfer_pump_1": "5",
|
||||
"flask_sample": "top"
|
||||
}
|
||||
},
|
||||
{
|
||||
"source": "transfer_pump_1",
|
||||
"target": "flask_buffer",
|
||||
"type": "physical",
|
||||
"port": {
|
||||
"transfer_pump_1": "6",
|
||||
"flask_buffer": "top"
|
||||
}
|
||||
},
|
||||
{
|
||||
"source": "heatchill_1",
|
||||
"target": "reactor",
|
||||
"type": "physical",
|
||||
"port": {
|
||||
"heatchill_1": "heating_element",
|
||||
"reactor": "bottom"
|
||||
}
|
||||
},
|
||||
{
|
||||
"source": "heatchill_1",
|
||||
"target": "flask_sample",
|
||||
"type": "physical",
|
||||
"port": {
|
||||
"heatchill_1": "heating_element",
|
||||
"flask_sample": "bottom"
|
||||
}
|
||||
},
|
||||
{
|
||||
"source": "stirrer_1",
|
||||
"target": "reactor",
|
||||
"type": "physical",
|
||||
"port": {
|
||||
"stirrer_1": "stir_rod",
|
||||
"reactor": "center"
|
||||
}
|
||||
},
|
||||
{
|
||||
"source": "stirrer_1",
|
||||
"target": "flask_sample",
|
||||
"type": "physical",
|
||||
"port": {
|
||||
"stirrer_1": "stir_rod",
|
||||
"flask_sample": "center"
|
||||
}
|
||||
}
|
||||
]
|
||||
}
|
||||
270
test/experiments/mock_protocol/filterteststation.json
Normal file
270
test/experiments/mock_protocol/filterteststation.json
Normal file
@@ -0,0 +1,270 @@
|
||||
{
|
||||
"nodes": [
|
||||
{
|
||||
"id": "FilterTestStation",
|
||||
"name": "过滤器测试工作站",
|
||||
"children": [
|
||||
"pump_add",
|
||||
"flask_sample",
|
||||
"flask_filtrate",
|
||||
"flask_buffer",
|
||||
"reactor",
|
||||
"stirrer",
|
||||
"filter_1",
|
||||
"flask_air"
|
||||
],
|
||||
"parent": null,
|
||||
"type": "device",
|
||||
"class": "workstation",
|
||||
"position": {
|
||||
"x": 620.6111111111111,
|
||||
"y": 171,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"protocol_type": ["AddProtocol", "PumpTransferProtocol", "CleanProtocol", "FilterProtocol"]
|
||||
},
|
||||
"data": {}
|
||||
},
|
||||
{
|
||||
"id": "pump_add",
|
||||
"name": "pump_add",
|
||||
"children": [],
|
||||
"parent": "FilterTestStation",
|
||||
"type": "device",
|
||||
"class": "virtual_pump",
|
||||
"position": {
|
||||
"x": 520.6111111111111,
|
||||
"y": 300,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"port": "VIRTUAL",
|
||||
"max_volume": 25.0
|
||||
},
|
||||
"data": {
|
||||
"status": "Idle"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "stirrer",
|
||||
"name": "stirrer",
|
||||
"children": [],
|
||||
"parent": "FilterTestStation",
|
||||
"type": "device",
|
||||
"class": "virtual_stirrer",
|
||||
"position": {
|
||||
"x": 650.1111111111111,
|
||||
"y": 478,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"port": "VIRTUAL",
|
||||
"max_temp": 100.0,
|
||||
"max_speed": 1000.0
|
||||
},
|
||||
"data": {
|
||||
"status": "Idle"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "filter_1",
|
||||
"name": "过滤器",
|
||||
"children": [],
|
||||
"parent": "FilterTestStation",
|
||||
"type": "device",
|
||||
"class": "virtual_filter",
|
||||
"position": {
|
||||
"x": 800,
|
||||
"y": 300,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"port": "VIRTUAL",
|
||||
"max_temp": 100.0,
|
||||
"max_stir_speed": 1000.0
|
||||
},
|
||||
"data": {
|
||||
"status": "Idle"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "flask_sample",
|
||||
"name": "样品瓶",
|
||||
"children": [],
|
||||
"parent": "FilterTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 100,
|
||||
"y": 428,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 1000.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": []
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "flask_filtrate",
|
||||
"name": "滤液瓶",
|
||||
"children": [],
|
||||
"parent": "FilterTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 250,
|
||||
"y": 428,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 1000.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": []
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "flask_buffer",
|
||||
"name": "缓冲液瓶",
|
||||
"children": [],
|
||||
"parent": "FilterTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 400,
|
||||
"y": 428,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 2000.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": []
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "reactor",
|
||||
"name": "反应器",
|
||||
"children": [],
|
||||
"parent": "FilterTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 698.1111111111111,
|
||||
"y": 428,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 5000.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": []
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "flask_air",
|
||||
"name": "空气瓶",
|
||||
"children": [],
|
||||
"parent": "FilterTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 950,
|
||||
"y": 300,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 2000.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": []
|
||||
}
|
||||
}
|
||||
],
|
||||
"links": [
|
||||
{
|
||||
"source": "stirrer",
|
||||
"target": "reactor",
|
||||
"type": "physical",
|
||||
"port": {
|
||||
"stirrer": "top",
|
||||
"reactor": "bottom"
|
||||
}
|
||||
},
|
||||
{
|
||||
"source": "pump_add",
|
||||
"target": "flask_sample",
|
||||
"type": "physical",
|
||||
"port": {
|
||||
"pump_add": "outlet",
|
||||
"flask_sample": "top"
|
||||
}
|
||||
},
|
||||
{
|
||||
"source": "pump_add",
|
||||
"target": "flask_filtrate",
|
||||
"type": "physical",
|
||||
"port": {
|
||||
"pump_add": "inlet",
|
||||
"flask_filtrate": "top"
|
||||
}
|
||||
},
|
||||
{
|
||||
"source": "pump_add",
|
||||
"target": "flask_buffer",
|
||||
"type": "physical",
|
||||
"port": {
|
||||
"pump_add": "inlet",
|
||||
"flask_buffer": "top"
|
||||
}
|
||||
},
|
||||
{
|
||||
"source": "pump_add",
|
||||
"target": "reactor",
|
||||
"type": "physical",
|
||||
"port": {
|
||||
"pump_add": "outlet",
|
||||
"reactor": "top"
|
||||
}
|
||||
},
|
||||
{
|
||||
"source": "pump_add",
|
||||
"target": "flask_air",
|
||||
"type": "physical",
|
||||
"port": {
|
||||
"pump_add": "inlet",
|
||||
"flask_air": "top"
|
||||
}
|
||||
},
|
||||
{
|
||||
"source": "filter_1",
|
||||
"target": "reactor",
|
||||
"type": "logical",
|
||||
"port": {
|
||||
"filter_1": "input",
|
||||
"reactor": "vessel"
|
||||
}
|
||||
},
|
||||
{
|
||||
"source": "filter_1",
|
||||
"target": "flask_sample",
|
||||
"type": "logical",
|
||||
"port": {
|
||||
"filter_1": "input",
|
||||
"flask_sample": "vessel"
|
||||
}
|
||||
},
|
||||
{
|
||||
"source": "filter_1",
|
||||
"target": "flask_filtrate",
|
||||
"type": "logical",
|
||||
"port": {
|
||||
"filter_1": "output",
|
||||
"flask_filtrate": "vessel"
|
||||
}
|
||||
}
|
||||
]
|
||||
}
|
||||
388
test/experiments/mock_protocol/filterthroughteststation.json
Normal file
388
test/experiments/mock_protocol/filterthroughteststation.json
Normal file
@@ -0,0 +1,388 @@
|
||||
{
|
||||
"nodes": [
|
||||
{
|
||||
"id": "FilterThroughTestStation",
|
||||
"name": "过滤通过测试工作站",
|
||||
"children": [
|
||||
"transfer_pump_1",
|
||||
"filter_1",
|
||||
"flask_ethanol",
|
||||
"flask_water",
|
||||
"flask_methanol",
|
||||
"reactor",
|
||||
"collection_flask",
|
||||
"waste_flask",
|
||||
"flask_sample",
|
||||
"flask_celite",
|
||||
"flask_silica"
|
||||
],
|
||||
"parent": null,
|
||||
"type": "device",
|
||||
"class": "workstation",
|
||||
"position": {
|
||||
"x": 620.6111111111111,
|
||||
"y": 171,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"protocol_type": ["FilterThroughProtocol", "TransferProtocol", "FilterProtocol"]
|
||||
},
|
||||
"data": {}
|
||||
},
|
||||
{
|
||||
"id": "transfer_pump_1",
|
||||
"name": "转移泵",
|
||||
"children": [],
|
||||
"parent": "FilterThroughTestStation",
|
||||
"type": "device",
|
||||
"class": "virtual_transfer_pump",
|
||||
"position": {
|
||||
"x": 520.6111111111111,
|
||||
"y": 300,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"port": "VIRTUAL",
|
||||
"max_volume": 50.0,
|
||||
"transfer_rate": 10.0
|
||||
},
|
||||
"data": {
|
||||
"status": "Idle",
|
||||
"current_volume": 0.0,
|
||||
"max_volume": 50.0,
|
||||
"transfer_rate": 10.0,
|
||||
"from_vessel": "",
|
||||
"to_vessel": "",
|
||||
"progress": 0.0,
|
||||
"transferred_volume": 0.0,
|
||||
"current_status": "Ready"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "filter_1",
|
||||
"name": "过滤器",
|
||||
"children": [],
|
||||
"parent": "FilterThroughTestStation",
|
||||
"type": "device",
|
||||
"class": "virtual_filter",
|
||||
"position": {
|
||||
"x": 650.1111111111111,
|
||||
"y": 478,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"port": "VIRTUAL",
|
||||
"max_temp": 100.0,
|
||||
"max_stir_speed": 1000.0
|
||||
},
|
||||
"data": {
|
||||
"status": "Idle",
|
||||
"filter_state": "Ready",
|
||||
"current_temp": 25.0,
|
||||
"target_temp": 25.0,
|
||||
"max_temp": 100.0,
|
||||
"stir_speed": 0.0,
|
||||
"max_stir_speed": 1000.0,
|
||||
"filtered_volume": 0.0,
|
||||
"progress": 0.0,
|
||||
"message": ""
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "flask_ethanol",
|
||||
"name": "乙醇溶剂瓶",
|
||||
"children": [],
|
||||
"parent": "FilterThroughTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 100,
|
||||
"y": 428,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 2000.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": [
|
||||
{
|
||||
"name": "ethanol",
|
||||
"volume": 1500.0,
|
||||
"concentration": 99.5
|
||||
}
|
||||
]
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "flask_water",
|
||||
"name": "水溶剂瓶",
|
||||
"children": [],
|
||||
"parent": "FilterThroughTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 250,
|
||||
"y": 428,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 2000.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": [
|
||||
{
|
||||
"name": "water",
|
||||
"volume": 1800.0,
|
||||
"concentration": 100.0
|
||||
}
|
||||
]
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "flask_methanol",
|
||||
"name": "甲醇溶剂瓶",
|
||||
"children": [],
|
||||
"parent": "FilterThroughTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 400,
|
||||
"y": 428,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 1000.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": [
|
||||
{
|
||||
"name": "methanol",
|
||||
"volume": 800.0,
|
||||
"concentration": 99.9
|
||||
}
|
||||
]
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "reactor",
|
||||
"name": "反应器",
|
||||
"children": [],
|
||||
"parent": "FilterThroughTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 698.1111111111111,
|
||||
"y": 428,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 1000.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": [
|
||||
{
|
||||
"name": "crude_product",
|
||||
"volume": 200.0,
|
||||
"concentration": 80.0
|
||||
}
|
||||
]
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "collection_flask",
|
||||
"name": "收集瓶",
|
||||
"children": [],
|
||||
"parent": "FilterThroughTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 850,
|
||||
"y": 428,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 1000.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": []
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "waste_flask",
|
||||
"name": "废液瓶",
|
||||
"children": [],
|
||||
"parent": "FilterThroughTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 1000,
|
||||
"y": 428,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 2000.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": []
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "flask_sample",
|
||||
"name": "样品瓶",
|
||||
"children": [],
|
||||
"parent": "FilterThroughTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 550,
|
||||
"y": 300,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 500.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": [
|
||||
{
|
||||
"name": "sample_mixture",
|
||||
"volume": 100.0,
|
||||
"concentration": 50.0
|
||||
}
|
||||
]
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "flask_celite",
|
||||
"name": "硅藻土容器",
|
||||
"children": [],
|
||||
"parent": "FilterThroughTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 150,
|
||||
"y": 300,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 500.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": [
|
||||
{
|
||||
"name": "celite",
|
||||
"volume": 50.0,
|
||||
"concentration": 100.0
|
||||
}
|
||||
]
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "flask_silica",
|
||||
"name": "硅胶容器",
|
||||
"children": [],
|
||||
"parent": "FilterThroughTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 300,
|
||||
"y": 300,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 500.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": [
|
||||
{
|
||||
"name": "silica",
|
||||
"volume": 30.0,
|
||||
"concentration": 100.0
|
||||
}
|
||||
]
|
||||
}
|
||||
}
|
||||
],
|
||||
"links": [
|
||||
{
|
||||
"source": "transfer_pump_1",
|
||||
"target": "flask_ethanol",
|
||||
"type": "physical",
|
||||
"port": {
|
||||
"transfer_pump_1": "1",
|
||||
"flask_ethanol": "top"
|
||||
}
|
||||
},
|
||||
{
|
||||
"source": "transfer_pump_1",
|
||||
"target": "flask_water",
|
||||
"type": "physical",
|
||||
"port": {
|
||||
"transfer_pump_1": "2",
|
||||
"flask_water": "top"
|
||||
}
|
||||
},
|
||||
{
|
||||
"source": "transfer_pump_1",
|
||||
"target": "flask_methanol",
|
||||
"type": "physical",
|
||||
"port": {
|
||||
"transfer_pump_1": "3",
|
||||
"flask_methanol": "top"
|
||||
}
|
||||
},
|
||||
{
|
||||
"source": "transfer_pump_1",
|
||||
"target": "reactor",
|
||||
"type": "physical",
|
||||
"port": {
|
||||
"transfer_pump_1": "4",
|
||||
"reactor": "top"
|
||||
}
|
||||
},
|
||||
{
|
||||
"source": "transfer_pump_1",
|
||||
"target": "collection_flask",
|
||||
"type": "physical",
|
||||
"port": {
|
||||
"transfer_pump_1": "5",
|
||||
"collection_flask": "top"
|
||||
}
|
||||
},
|
||||
{
|
||||
"source": "transfer_pump_1",
|
||||
"target": "waste_flask",
|
||||
"type": "physical",
|
||||
"port": {
|
||||
"transfer_pump_1": "6",
|
||||
"waste_flask": "top"
|
||||
}
|
||||
},
|
||||
{
|
||||
"source": "transfer_pump_1",
|
||||
"target": "flask_sample",
|
||||
"type": "physical",
|
||||
"port": {
|
||||
"transfer_pump_1": "7",
|
||||
"flask_sample": "top"
|
||||
}
|
||||
},
|
||||
{
|
||||
"source": "filter_1",
|
||||
"target": "collection_flask",
|
||||
"type": "physical",
|
||||
"port": {
|
||||
"filter_1": "filter_element",
|
||||
"collection_flask": "top"
|
||||
}
|
||||
},
|
||||
{
|
||||
"source": "filter_1",
|
||||
"target": "reactor",
|
||||
"type": "physical",
|
||||
"port": {
|
||||
"filter_1": "filter_element",
|
||||
"reactor": "top"
|
||||
}
|
||||
}
|
||||
]
|
||||
}
|
||||
262
test/experiments/mock_protocol/heatchillteststation.json
Normal file
262
test/experiments/mock_protocol/heatchillteststation.json
Normal file
@@ -0,0 +1,262 @@
|
||||
{
|
||||
"nodes": [
|
||||
{
|
||||
"id": "HeatChillTestStation",
|
||||
"name": "加热冷却测试工作站",
|
||||
"children": [
|
||||
"pump_add",
|
||||
"flask_sample",
|
||||
"flask_buffer1",
|
||||
"flask_buffer2",
|
||||
"reactor",
|
||||
"stirrer",
|
||||
"heatchill_1",
|
||||
"flask_air"
|
||||
],
|
||||
"parent": null,
|
||||
"type": "device",
|
||||
"class": "workstation",
|
||||
"position": {
|
||||
"x": 620.6111111111111,
|
||||
"y": 171,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"protocol_type": ["AddProtocol", "PumpTransferProtocol", "CleanProtocol", "HeatChillProtocol", "HeatChillStartProtocol", "HeatChillStopProtocol"]
|
||||
},
|
||||
"data": {}
|
||||
},
|
||||
{
|
||||
"id": "pump_add",
|
||||
"name": "pump_add",
|
||||
"children": [],
|
||||
"parent": "HeatChillTestStation",
|
||||
"type": "device",
|
||||
"class": "virtual_pump",
|
||||
"position": {
|
||||
"x": 520.6111111111111,
|
||||
"y": 300,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"port": "VIRTUAL",
|
||||
"max_volume": 25.0
|
||||
},
|
||||
"data": {
|
||||
"status": "Idle"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "stirrer",
|
||||
"name": "stirrer",
|
||||
"children": [],
|
||||
"parent": "HeatChillTestStation",
|
||||
"type": "device",
|
||||
"class": "virtual_stirrer",
|
||||
"position": {
|
||||
"x": 650.1111111111111,
|
||||
"y": 478,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"port": "VIRTUAL",
|
||||
"max_temp": 100.0,
|
||||
"max_speed": 1000.0
|
||||
},
|
||||
"data": {
|
||||
"status": "Idle"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "heatchill_1",
|
||||
"name": "加热冷却器",
|
||||
"children": [],
|
||||
"parent": "HeatChillTestStation",
|
||||
"type": "device",
|
||||
"class": "virtual_heatchill",
|
||||
"position": {
|
||||
"x": 800,
|
||||
"y": 300,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"port": "VIRTUAL",
|
||||
"max_temp": 200.0,
|
||||
"min_temp": -80.0,
|
||||
"max_stir_speed": 1000.0
|
||||
},
|
||||
"data": {
|
||||
"status": "Idle"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "flask_sample",
|
||||
"name": "样品瓶",
|
||||
"children": [],
|
||||
"parent": "HeatChillTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 100,
|
||||
"y": 428,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 1000.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": []
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "flask_buffer1",
|
||||
"name": "缓冲液瓶1",
|
||||
"children": [],
|
||||
"parent": "HeatChillTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 250,
|
||||
"y": 428,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 2000.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": []
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "flask_buffer2",
|
||||
"name": "缓冲液瓶2",
|
||||
"children": [],
|
||||
"parent": "HeatChillTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 400,
|
||||
"y": 428,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 2000.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": []
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "reactor",
|
||||
"name": "反应器",
|
||||
"children": [],
|
||||
"parent": "HeatChillTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 698.1111111111111,
|
||||
"y": 428,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 5000.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": []
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "flask_air",
|
||||
"name": "空气瓶",
|
||||
"children": [],
|
||||
"parent": "HeatChillTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 950,
|
||||
"y": 300,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 2000.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": []
|
||||
}
|
||||
}
|
||||
],
|
||||
"links": [
|
||||
{
|
||||
"source": "stirrer",
|
||||
"target": "reactor",
|
||||
"type": "physical",
|
||||
"port": {
|
||||
"stirrer": "top",
|
||||
"reactor": "bottom"
|
||||
}
|
||||
},
|
||||
{
|
||||
"source": "pump_add",
|
||||
"target": "flask_sample",
|
||||
"type": "physical",
|
||||
"port": {
|
||||
"pump_add": "outlet",
|
||||
"flask_sample": "top"
|
||||
}
|
||||
},
|
||||
{
|
||||
"source": "pump_add",
|
||||
"target": "flask_buffer1",
|
||||
"type": "physical",
|
||||
"port": {
|
||||
"pump_add": "inlet",
|
||||
"flask_buffer1": "top"
|
||||
}
|
||||
},
|
||||
{
|
||||
"source": "pump_add",
|
||||
"target": "flask_buffer2",
|
||||
"type": "physical",
|
||||
"port": {
|
||||
"pump_add": "inlet",
|
||||
"flask_buffer2": "top"
|
||||
}
|
||||
},
|
||||
{
|
||||
"source": "pump_add",
|
||||
"target": "reactor",
|
||||
"type": "physical",
|
||||
"port": {
|
||||
"pump_add": "outlet",
|
||||
"reactor": "top"
|
||||
}
|
||||
},
|
||||
{
|
||||
"source": "pump_add",
|
||||
"target": "flask_air",
|
||||
"type": "physical",
|
||||
"port": {
|
||||
"pump_add": "inlet",
|
||||
"flask_air": "top"
|
||||
}
|
||||
},
|
||||
{
|
||||
"source": "heatchill_1",
|
||||
"target": "reactor",
|
||||
"type": "logical",
|
||||
"port": {
|
||||
"heatchill_1": "heating_element",
|
||||
"reactor": "vessel"
|
||||
}
|
||||
},
|
||||
{
|
||||
"source": "heatchill_1",
|
||||
"target": "flask_sample",
|
||||
"type": "logical",
|
||||
"port": {
|
||||
"heatchill_1": "heating_element",
|
||||
"flask_sample": "vessel"
|
||||
}
|
||||
}
|
||||
]
|
||||
}
|
||||
412
test/experiments/mock_protocol/runcolumnteststation.json
Normal file
412
test/experiments/mock_protocol/runcolumnteststation.json
Normal file
@@ -0,0 +1,412 @@
|
||||
{
|
||||
"nodes": [
|
||||
{
|
||||
"id": "RunColumnTestStation",
|
||||
"name": "柱层析测试工作站",
|
||||
"children": [
|
||||
"transfer_pump_1",
|
||||
"column_1",
|
||||
"flask_sample",
|
||||
"flask_hexane",
|
||||
"flask_ethyl_acetate",
|
||||
"flask_methanol",
|
||||
"collection_flask_1",
|
||||
"collection_flask_2",
|
||||
"collection_flask_3",
|
||||
"waste_flask",
|
||||
"reactor"
|
||||
],
|
||||
"parent": null,
|
||||
"type": "device",
|
||||
"class": "workstation",
|
||||
"position": {
|
||||
"x": 620.6111111111111,
|
||||
"y": 171,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"protocol_type": ["RunColumnProtocol", "TransferProtocol"]
|
||||
},
|
||||
"data": {}
|
||||
},
|
||||
{
|
||||
"id": "transfer_pump_1",
|
||||
"name": "转移泵",
|
||||
"children": [],
|
||||
"parent": "RunColumnTestStation",
|
||||
"type": "device",
|
||||
"class": "virtual_transfer_pump",
|
||||
"position": {
|
||||
"x": 520.6111111111111,
|
||||
"y": 300,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"port": "VIRTUAL",
|
||||
"max_volume": 50.0,
|
||||
"transfer_rate": 10.0
|
||||
},
|
||||
"data": {
|
||||
"status": "Idle",
|
||||
"current_volume": 0.0,
|
||||
"max_volume": 50.0,
|
||||
"transfer_rate": 10.0,
|
||||
"from_vessel": "",
|
||||
"to_vessel": "",
|
||||
"progress": 0.0,
|
||||
"transferred_volume": 0.0,
|
||||
"current_status": "Ready"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "column_1",
|
||||
"name": "柱层析设备",
|
||||
"children": [],
|
||||
"parent": "RunColumnTestStation",
|
||||
"type": "device",
|
||||
"class": "virtual_column",
|
||||
"position": {
|
||||
"x": 650.1111111111111,
|
||||
"y": 478,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"port": "VIRTUAL",
|
||||
"max_flow_rate": 5.0,
|
||||
"column_length": 30.0,
|
||||
"column_diameter": 2.5
|
||||
},
|
||||
"data": {
|
||||
"status": "Idle",
|
||||
"column_state": "Ready",
|
||||
"current_flow_rate": 0.0,
|
||||
"max_flow_rate": 5.0,
|
||||
"column_length": 30.0,
|
||||
"column_diameter": 2.5,
|
||||
"processed_volume": 0.0,
|
||||
"progress": 0.0,
|
||||
"current_status": "Ready"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "flask_sample",
|
||||
"name": "样品瓶",
|
||||
"children": [],
|
||||
"parent": "RunColumnTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 100,
|
||||
"y": 428,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 500.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": [
|
||||
{
|
||||
"name": "crude_mixture",
|
||||
"volume": 200.0,
|
||||
"concentration": 70.0
|
||||
}
|
||||
]
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "flask_hexane",
|
||||
"name": "正己烷洗脱剂",
|
||||
"children": [],
|
||||
"parent": "RunColumnTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 250,
|
||||
"y": 428,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 2000.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": [
|
||||
{
|
||||
"name": "hexane",
|
||||
"volume": 1500.0,
|
||||
"concentration": 99.8
|
||||
}
|
||||
]
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "flask_ethyl_acetate",
|
||||
"name": "乙酸乙酯洗脱剂",
|
||||
"children": [],
|
||||
"parent": "RunColumnTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 400,
|
||||
"y": 428,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 2000.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": [
|
||||
{
|
||||
"name": "ethyl_acetate",
|
||||
"volume": 1500.0,
|
||||
"concentration": 99.5
|
||||
}
|
||||
]
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "flask_methanol",
|
||||
"name": "甲醇洗脱剂",
|
||||
"children": [],
|
||||
"parent": "RunColumnTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 550,
|
||||
"y": 428,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 1000.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": [
|
||||
{
|
||||
"name": "methanol",
|
||||
"volume": 800.0,
|
||||
"concentration": 99.9
|
||||
}
|
||||
]
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "collection_flask_1",
|
||||
"name": "收集瓶1",
|
||||
"children": [],
|
||||
"parent": "RunColumnTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 750,
|
||||
"y": 428,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 1000.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": []
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "collection_flask_2",
|
||||
"name": "收集瓶2",
|
||||
"children": [],
|
||||
"parent": "RunColumnTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 900,
|
||||
"y": 428,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 1000.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": []
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "collection_flask_3",
|
||||
"name": "收集瓶3",
|
||||
"children": [],
|
||||
"parent": "RunColumnTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 1050,
|
||||
"y": 428,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 1000.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": []
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "waste_flask",
|
||||
"name": "废液瓶",
|
||||
"children": [],
|
||||
"parent": "RunColumnTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 1200,
|
||||
"y": 428,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 2000.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": []
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "reactor",
|
||||
"name": "反应器",
|
||||
"children": [],
|
||||
"parent": "RunColumnTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 698.1111111111111,
|
||||
"y": 300,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 1000.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": [
|
||||
{
|
||||
"name": "reaction_mixture",
|
||||
"volume": 300.0,
|
||||
"concentration": 85.0
|
||||
}
|
||||
]
|
||||
}
|
||||
}
|
||||
],
|
||||
"links": [
|
||||
{
|
||||
"source": "transfer_pump_1",
|
||||
"target": "flask_sample",
|
||||
"type": "physical",
|
||||
"port": {
|
||||
"transfer_pump_1": "1",
|
||||
"flask_sample": "top"
|
||||
}
|
||||
},
|
||||
{
|
||||
"source": "transfer_pump_1",
|
||||
"target": "flask_hexane",
|
||||
"type": "physical",
|
||||
"port": {
|
||||
"transfer_pump_1": "2",
|
||||
"flask_hexane": "top"
|
||||
}
|
||||
},
|
||||
{
|
||||
"source": "transfer_pump_1",
|
||||
"target": "flask_ethyl_acetate",
|
||||
"type": "physical",
|
||||
"port": {
|
||||
"transfer_pump_1": "3",
|
||||
"flask_ethyl_acetate": "top"
|
||||
}
|
||||
},
|
||||
{
|
||||
"source": "transfer_pump_1",
|
||||
"target": "flask_methanol",
|
||||
"type": "physical",
|
||||
"port": {
|
||||
"transfer_pump_1": "4",
|
||||
"flask_methanol": "top"
|
||||
}
|
||||
},
|
||||
{
|
||||
"source": "transfer_pump_1",
|
||||
"target": "column_1",
|
||||
"type": "physical",
|
||||
"port": {
|
||||
"transfer_pump_1": "5",
|
||||
"column_1": "inlet"
|
||||
}
|
||||
},
|
||||
{
|
||||
"source": "transfer_pump_1",
|
||||
"target": "collection_flask_1",
|
||||
"type": "physical",
|
||||
"port": {
|
||||
"transfer_pump_1": "6",
|
||||
"collection_flask_1": "top"
|
||||
}
|
||||
},
|
||||
{
|
||||
"source": "transfer_pump_1",
|
||||
"target": "collection_flask_2",
|
||||
"type": "physical",
|
||||
"port": {
|
||||
"transfer_pump_1": "7",
|
||||
"collection_flask_2": "top"
|
||||
}
|
||||
},
|
||||
{
|
||||
"source": "transfer_pump_1",
|
||||
"target": "collection_flask_3",
|
||||
"type": "physical",
|
||||
"port": {
|
||||
"transfer_pump_1": "8",
|
||||
"collection_flask_3": "top"
|
||||
}
|
||||
},
|
||||
{
|
||||
"source": "transfer_pump_1",
|
||||
"target": "waste_flask",
|
||||
"type": "physical",
|
||||
"port": {
|
||||
"transfer_pump_1": "9",
|
||||
"waste_flask": "top"
|
||||
}
|
||||
},
|
||||
{
|
||||
"source": "transfer_pump_1",
|
||||
"target": "reactor",
|
||||
"type": "physical",
|
||||
"port": {
|
||||
"transfer_pump_1": "10",
|
||||
"reactor": "top"
|
||||
}
|
||||
},
|
||||
{
|
||||
"source": "column_1",
|
||||
"target": "collection_flask_1",
|
||||
"type": "physical",
|
||||
"port": {
|
||||
"column_1": "outlet",
|
||||
"collection_flask_1": "top"
|
||||
}
|
||||
},
|
||||
{
|
||||
"source": "column_1",
|
||||
"target": "collection_flask_2",
|
||||
"type": "physical",
|
||||
"port": {
|
||||
"column_1": "outlet",
|
||||
"collection_flask_2": "top"
|
||||
}
|
||||
},
|
||||
{
|
||||
"source": "column_1",
|
||||
"target": "collection_flask_3",
|
||||
"type": "physical",
|
||||
"port": {
|
||||
"column_1": "outlet",
|
||||
"collection_flask_3": "top"
|
||||
}
|
||||
}
|
||||
]
|
||||
}
|
||||
250
test/experiments/mock_protocol/stirteststation.json
Normal file
250
test/experiments/mock_protocol/stirteststation.json
Normal file
@@ -0,0 +1,250 @@
|
||||
{
|
||||
"nodes": [
|
||||
{
|
||||
"id": "StirTestStation",
|
||||
"name": "搅拌测试工作站",
|
||||
"children": [
|
||||
"pump_add",
|
||||
"flask_sample",
|
||||
"flask_buffer1",
|
||||
"flask_buffer2",
|
||||
"reactor",
|
||||
"stirrer",
|
||||
"flask_waste",
|
||||
"flask_air"
|
||||
],
|
||||
"parent": null,
|
||||
"type": "device",
|
||||
"class": "workstation",
|
||||
"position": {
|
||||
"x": 620.6111111111111,
|
||||
"y": 171,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"protocol_type": ["AddProtocol", "PumpTransferProtocol", "CleanProtocol", "StirProtocol", "StartStirProtocol", "StopStirProtocol"]
|
||||
},
|
||||
"data": {}
|
||||
},
|
||||
{
|
||||
"id": "pump_add",
|
||||
"name": "添加泵",
|
||||
"children": [],
|
||||
"parent": "StirTestStation",
|
||||
"type": "device",
|
||||
"class": "virtual_pump",
|
||||
"position": {
|
||||
"x": 520.6111111111111,
|
||||
"y": 300,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"port": "VIRTUAL",
|
||||
"max_volume": 25.0
|
||||
},
|
||||
"data": {
|
||||
"status": "Idle"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "stirrer",
|
||||
"name": "搅拌器",
|
||||
"children": [],
|
||||
"parent": "StirTestStation",
|
||||
"type": "device",
|
||||
"class": "virtual_stirrer",
|
||||
"position": {
|
||||
"x": 650.1111111111111,
|
||||
"y": 478,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"port": "VIRTUAL",
|
||||
"max_temp": 100.0,
|
||||
"max_speed": 1000.0
|
||||
},
|
||||
"data": {
|
||||
"status": "Idle"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "flask_sample",
|
||||
"name": "样品瓶",
|
||||
"children": [],
|
||||
"parent": "StirTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 100,
|
||||
"y": 428,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 1000.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": []
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "flask_buffer1",
|
||||
"name": "缓冲液瓶1",
|
||||
"children": [],
|
||||
"parent": "StirTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 250,
|
||||
"y": 428,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 2000.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": []
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "flask_buffer2",
|
||||
"name": "缓冲液瓶2",
|
||||
"children": [],
|
||||
"parent": "StirTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 400,
|
||||
"y": 428,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 2000.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": []
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "reactor",
|
||||
"name": "反应器",
|
||||
"children": [],
|
||||
"parent": "StirTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 698.1111111111111,
|
||||
"y": 428,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 5000.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": []
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "flask_waste",
|
||||
"name": "废液瓶",
|
||||
"children": [],
|
||||
"parent": "StirTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 850,
|
||||
"y": 428,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 3000.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": []
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "flask_air",
|
||||
"name": "空气瓶",
|
||||
"children": [],
|
||||
"parent": "StirTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 950,
|
||||
"y": 300,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 2000.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": []
|
||||
}
|
||||
}
|
||||
],
|
||||
"links": [
|
||||
{
|
||||
"source": "stirrer",
|
||||
"target": "reactor",
|
||||
"type": "physical",
|
||||
"port": {
|
||||
"stirrer": "top",
|
||||
"reactor": "bottom"
|
||||
}
|
||||
},
|
||||
{
|
||||
"source": "pump_add",
|
||||
"target": "flask_sample",
|
||||
"type": "physical",
|
||||
"port": {
|
||||
"pump_add": "inlet",
|
||||
"flask_sample": "top"
|
||||
}
|
||||
},
|
||||
{
|
||||
"source": "pump_add",
|
||||
"target": "flask_buffer1",
|
||||
"type": "physical",
|
||||
"port": {
|
||||
"pump_add": "inlet",
|
||||
"flask_buffer1": "top"
|
||||
}
|
||||
},
|
||||
{
|
||||
"source": "pump_add",
|
||||
"target": "flask_buffer2",
|
||||
"type": "physical",
|
||||
"port": {
|
||||
"pump_add": "inlet",
|
||||
"flask_buffer2": "top"
|
||||
}
|
||||
},
|
||||
{
|
||||
"source": "pump_add",
|
||||
"target": "reactor",
|
||||
"type": "physical",
|
||||
"port": {
|
||||
"pump_add": "outlet",
|
||||
"reactor": "top"
|
||||
}
|
||||
},
|
||||
{
|
||||
"source": "pump_add",
|
||||
"target": "flask_waste",
|
||||
"type": "physical",
|
||||
"port": {
|
||||
"pump_add": "outlet",
|
||||
"flask_waste": "top"
|
||||
}
|
||||
},
|
||||
{
|
||||
"source": "pump_add",
|
||||
"target": "flask_air",
|
||||
"type": "physical",
|
||||
"port": {
|
||||
"pump_add": "inlet",
|
||||
"flask_air": "top"
|
||||
}
|
||||
}
|
||||
]
|
||||
}
|
||||
249
test/experiments/mock_protocol/transferteststation.json
Normal file
249
test/experiments/mock_protocol/transferteststation.json
Normal file
@@ -0,0 +1,249 @@
|
||||
{
|
||||
"nodes": [
|
||||
{
|
||||
"id": "TransferTestStation",
|
||||
"name": "液体转移测试工作站",
|
||||
"children": [
|
||||
"transfer_pump",
|
||||
"flask_source1",
|
||||
"flask_source2",
|
||||
"flask_target1",
|
||||
"flask_target2",
|
||||
"reactor",
|
||||
"flask_waste",
|
||||
"flask_rinsing"
|
||||
],
|
||||
"parent": null,
|
||||
"type": "device",
|
||||
"class": "workstation",
|
||||
"position": {
|
||||
"x": 620.6111111111111,
|
||||
"y": 171,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"protocol_type": ["TransferProtocol"]
|
||||
},
|
||||
"data": {}
|
||||
},
|
||||
{
|
||||
"id": "transfer_pump",
|
||||
"name": "转移泵",
|
||||
"children": [],
|
||||
"parent": "TransferTestStation",
|
||||
"type": "device",
|
||||
"class": "virtual_transfer_pump",
|
||||
"position": {
|
||||
"x": 520.6111111111111,
|
||||
"y": 300,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"port": "VIRTUAL",
|
||||
"max_volume": 50.0,
|
||||
"transfer_rate": 5.0
|
||||
},
|
||||
"data": {
|
||||
"status": "Idle"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "flask_source1",
|
||||
"name": "源容器1",
|
||||
"children": [],
|
||||
"parent": "TransferTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 100,
|
||||
"y": 428,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 1000.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": []
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "flask_source2",
|
||||
"name": "源容器2",
|
||||
"children": [],
|
||||
"parent": "TransferTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 250,
|
||||
"y": 428,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 1000.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": []
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "flask_target1",
|
||||
"name": "目标容器1",
|
||||
"children": [],
|
||||
"parent": "TransferTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 400,
|
||||
"y": 428,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 1000.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": []
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "flask_target2",
|
||||
"name": "目标容器2",
|
||||
"children": [],
|
||||
"parent": "TransferTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 550,
|
||||
"y": 428,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 1000.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": []
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "reactor",
|
||||
"name": "反应器",
|
||||
"children": [],
|
||||
"parent": "TransferTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 698.1111111111111,
|
||||
"y": 428,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 2000.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": []
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "flask_waste",
|
||||
"name": "废液瓶",
|
||||
"children": [],
|
||||
"parent": "TransferTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 850,
|
||||
"y": 428,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 2000.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": []
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "flask_rinsing",
|
||||
"name": "冲洗液瓶",
|
||||
"children": [],
|
||||
"parent": "TransferTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 950,
|
||||
"y": 300,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 1000.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": []
|
||||
}
|
||||
}
|
||||
],
|
||||
"links": [
|
||||
{
|
||||
"source": "transfer_pump",
|
||||
"target": "flask_source1",
|
||||
"type": "physical",
|
||||
"port": {
|
||||
"transfer_pump": "inlet",
|
||||
"flask_source1": "top"
|
||||
}
|
||||
},
|
||||
{
|
||||
"source": "transfer_pump",
|
||||
"target": "flask_source2",
|
||||
"type": "physical",
|
||||
"port": {
|
||||
"transfer_pump": "inlet",
|
||||
"flask_source2": "top"
|
||||
}
|
||||
},
|
||||
{
|
||||
"source": "transfer_pump",
|
||||
"target": "flask_target1",
|
||||
"type": "physical",
|
||||
"port": {
|
||||
"transfer_pump": "outlet",
|
||||
"flask_target1": "top"
|
||||
}
|
||||
},
|
||||
{
|
||||
"source": "transfer_pump",
|
||||
"target": "flask_target2",
|
||||
"type": "physical",
|
||||
"port": {
|
||||
"transfer_pump": "outlet",
|
||||
"flask_target2": "top"
|
||||
}
|
||||
},
|
||||
{
|
||||
"source": "transfer_pump",
|
||||
"target": "reactor",
|
||||
"type": "physical",
|
||||
"port": {
|
||||
"transfer_pump": "outlet",
|
||||
"reactor": "top"
|
||||
}
|
||||
},
|
||||
{
|
||||
"source": "transfer_pump",
|
||||
"target": "flask_waste",
|
||||
"type": "physical",
|
||||
"port": {
|
||||
"transfer_pump": "outlet",
|
||||
"flask_waste": "top"
|
||||
}
|
||||
},
|
||||
{
|
||||
"source": "transfer_pump",
|
||||
"target": "flask_rinsing",
|
||||
"type": "physical",
|
||||
"port": {
|
||||
"transfer_pump": "inlet",
|
||||
"flask_rinsing": "top"
|
||||
}
|
||||
}
|
||||
]
|
||||
}
|
||||
494
test/experiments/mock_protocol/washsolidteststation.json
Normal file
494
test/experiments/mock_protocol/washsolidteststation.json
Normal file
@@ -0,0 +1,494 @@
|
||||
{
|
||||
"nodes": [
|
||||
{
|
||||
"id": "WashSolidTestStation",
|
||||
"name": "固体清洗测试工作站",
|
||||
"children": [
|
||||
"transfer_pump_1",
|
||||
"heatchill_1",
|
||||
"stirrer_1",
|
||||
"filter_1",
|
||||
"flask_ethanol",
|
||||
"flask_water",
|
||||
"flask_acetone",
|
||||
"flask_methanol",
|
||||
"reactor",
|
||||
"collection_flask",
|
||||
"waste_flask",
|
||||
"flask_sample",
|
||||
"filtrate_flask"
|
||||
],
|
||||
"parent": null,
|
||||
"type": "device",
|
||||
"class": "workstation",
|
||||
"position": {
|
||||
"x": 620.6111111111111,
|
||||
"y": 171,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"protocol_type": ["WashSolidProtocol", "TransferProtocol", "FilterProtocol", "HeatChillProtocol", "StirProtocol"]
|
||||
},
|
||||
"data": {}
|
||||
},
|
||||
{
|
||||
"id": "transfer_pump_1",
|
||||
"name": "转移泵",
|
||||
"children": [],
|
||||
"parent": "WashSolidTestStation",
|
||||
"type": "device",
|
||||
"class": "virtual_transfer_pump",
|
||||
"position": {
|
||||
"x": 520.6111111111111,
|
||||
"y": 300,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"port": "VIRTUAL",
|
||||
"max_volume": 50.0,
|
||||
"transfer_rate": 10.0
|
||||
},
|
||||
"data": {
|
||||
"status": "Idle",
|
||||
"current_volume": 0.0,
|
||||
"max_volume": 50.0,
|
||||
"transfer_rate": 10.0,
|
||||
"from_vessel": "",
|
||||
"to_vessel": "",
|
||||
"progress": 0.0,
|
||||
"transferred_volume": 0.0,
|
||||
"current_status": "Ready"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "heatchill_1",
|
||||
"name": "加热冷却器",
|
||||
"children": [],
|
||||
"parent": "WashSolidTestStation",
|
||||
"type": "device",
|
||||
"class": "virtual_heatchill",
|
||||
"position": {
|
||||
"x": 650.1111111111111,
|
||||
"y": 478,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"port": "VIRTUAL",
|
||||
"max_temp": 150.0,
|
||||
"min_temp": -20.0
|
||||
},
|
||||
"data": {
|
||||
"status": "Idle",
|
||||
"current_temp": 25.0,
|
||||
"target_temp": 25.0,
|
||||
"vessel": "",
|
||||
"purpose": "",
|
||||
"progress": 0.0,
|
||||
"current_status": "Ready"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "stirrer_1",
|
||||
"name": "搅拌器",
|
||||
"children": [],
|
||||
"parent": "WashSolidTestStation",
|
||||
"type": "device",
|
||||
"class": "virtual_stirrer",
|
||||
"position": {
|
||||
"x": 750.1111111111111,
|
||||
"y": 300,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"port": "VIRTUAL",
|
||||
"max_speed": 1000.0
|
||||
},
|
||||
"data": {
|
||||
"status": "Idle"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "filter_1",
|
||||
"name": "过滤器",
|
||||
"children": [],
|
||||
"parent": "WashSolidTestStation",
|
||||
"type": "device",
|
||||
"class": "virtual_filter",
|
||||
"position": {
|
||||
"x": 850.1111111111111,
|
||||
"y": 478,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"port": "VIRTUAL",
|
||||
"max_temp": 100.0,
|
||||
"max_stir_speed": 1000.0
|
||||
},
|
||||
"data": {
|
||||
"status": "Idle",
|
||||
"filter_state": "Ready",
|
||||
"current_temp": 25.0,
|
||||
"target_temp": 25.0,
|
||||
"max_temp": 100.0,
|
||||
"stir_speed": 0.0,
|
||||
"max_stir_speed": 1000.0,
|
||||
"filtered_volume": 0.0,
|
||||
"progress": 0.0,
|
||||
"message": ""
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "flask_ethanol",
|
||||
"name": "乙醇清洗剂",
|
||||
"children": [],
|
||||
"parent": "WashSolidTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 100,
|
||||
"y": 428,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 2000.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": [
|
||||
{
|
||||
"name": "ethanol",
|
||||
"volume": 1500.0,
|
||||
"concentration": 99.5
|
||||
}
|
||||
]
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "flask_water",
|
||||
"name": "水清洗剂",
|
||||
"children": [],
|
||||
"parent": "WashSolidTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 250,
|
||||
"y": 428,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 2000.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": [
|
||||
{
|
||||
"name": "water",
|
||||
"volume": 1800.0,
|
||||
"concentration": 100.0
|
||||
}
|
||||
]
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "flask_acetone",
|
||||
"name": "丙酮清洗剂",
|
||||
"children": [],
|
||||
"parent": "WashSolidTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 400,
|
||||
"y": 428,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 1000.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": [
|
||||
{
|
||||
"name": "acetone",
|
||||
"volume": 800.0,
|
||||
"concentration": 99.8
|
||||
}
|
||||
]
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "flask_methanol",
|
||||
"name": "甲醇清洗剂",
|
||||
"children": [],
|
||||
"parent": "WashSolidTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 550,
|
||||
"y": 428,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 1000.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": [
|
||||
{
|
||||
"name": "methanol",
|
||||
"volume": 800.0,
|
||||
"concentration": 99.9
|
||||
}
|
||||
]
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "reactor",
|
||||
"name": "反应器",
|
||||
"children": [],
|
||||
"parent": "WashSolidTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 698.1111111111111,
|
||||
"y": 428,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 1000.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": [
|
||||
{
|
||||
"name": "solid_product",
|
||||
"volume": 50.0,
|
||||
"concentration": 100.0
|
||||
}
|
||||
]
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "collection_flask",
|
||||
"name": "收集瓶",
|
||||
"children": [],
|
||||
"parent": "WashSolidTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 850,
|
||||
"y": 300,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 1000.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": []
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "waste_flask",
|
||||
"name": "废液瓶",
|
||||
"children": [],
|
||||
"parent": "WashSolidTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 1000,
|
||||
"y": 428,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 2000.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": []
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "flask_sample",
|
||||
"name": "样品瓶",
|
||||
"children": [],
|
||||
"parent": "WashSolidTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 1150,
|
||||
"y": 300,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 500.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": [
|
||||
{
|
||||
"name": "crude_solid",
|
||||
"volume": 30.0,
|
||||
"concentration": 80.0
|
||||
}
|
||||
]
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "filtrate_flask",
|
||||
"name": "滤液收集瓶",
|
||||
"children": [],
|
||||
"parent": "WashSolidTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 1000,
|
||||
"y": 300,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 1500.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": []
|
||||
}
|
||||
}
|
||||
],
|
||||
"links": [
|
||||
{
|
||||
"source": "transfer_pump_1",
|
||||
"target": "flask_ethanol",
|
||||
"type": "physical",
|
||||
"port": {
|
||||
"transfer_pump_1": "1",
|
||||
"flask_ethanol": "top"
|
||||
}
|
||||
},
|
||||
{
|
||||
"source": "transfer_pump_1",
|
||||
"target": "flask_water",
|
||||
"type": "physical",
|
||||
"port": {
|
||||
"transfer_pump_1": "2",
|
||||
"flask_water": "top"
|
||||
}
|
||||
},
|
||||
{
|
||||
"source": "transfer_pump_1",
|
||||
"target": "flask_acetone",
|
||||
"type": "physical",
|
||||
"port": {
|
||||
"transfer_pump_1": "3",
|
||||
"flask_acetone": "top"
|
||||
}
|
||||
},
|
||||
{
|
||||
"source": "transfer_pump_1",
|
||||
"target": "flask_methanol",
|
||||
"type": "physical",
|
||||
"port": {
|
||||
"transfer_pump_1": "4",
|
||||
"flask_methanol": "top"
|
||||
}
|
||||
},
|
||||
{
|
||||
"source": "transfer_pump_1",
|
||||
"target": "reactor",
|
||||
"type": "physical",
|
||||
"port": {
|
||||
"transfer_pump_1": "5",
|
||||
"reactor": "top"
|
||||
}
|
||||
},
|
||||
{
|
||||
"source": "transfer_pump_1",
|
||||
"target": "collection_flask",
|
||||
"type": "physical",
|
||||
"port": {
|
||||
"transfer_pump_1": "6",
|
||||
"collection_flask": "top"
|
||||
}
|
||||
},
|
||||
{
|
||||
"source": "transfer_pump_1",
|
||||
"target": "waste_flask",
|
||||
"type": "physical",
|
||||
"port": {
|
||||
"transfer_pump_1": "7",
|
||||
"waste_flask": "top"
|
||||
}
|
||||
},
|
||||
{
|
||||
"source": "transfer_pump_1",
|
||||
"target": "flask_sample",
|
||||
"type": "physical",
|
||||
"port": {
|
||||
"transfer_pump_1": "8",
|
||||
"flask_sample": "top"
|
||||
}
|
||||
},
|
||||
{
|
||||
"source": "transfer_pump_1",
|
||||
"target": "filtrate_flask",
|
||||
"type": "physical",
|
||||
"port": {
|
||||
"transfer_pump_1": "9",
|
||||
"filtrate_flask": "top"
|
||||
}
|
||||
},
|
||||
{
|
||||
"source": "heatchill_1",
|
||||
"target": "reactor",
|
||||
"type": "physical",
|
||||
"port": {
|
||||
"heatchill_1": "heating_element",
|
||||
"reactor": "bottom"
|
||||
}
|
||||
},
|
||||
{
|
||||
"source": "heatchill_1",
|
||||
"target": "flask_sample",
|
||||
"type": "physical",
|
||||
"port": {
|
||||
"heatchill_1": "heating_element",
|
||||
"flask_sample": "bottom"
|
||||
}
|
||||
},
|
||||
{
|
||||
"source": "stirrer_1",
|
||||
"target": "reactor",
|
||||
"type": "physical",
|
||||
"port": {
|
||||
"stirrer_1": "stir_rod",
|
||||
"reactor": "center"
|
||||
}
|
||||
},
|
||||
{
|
||||
"source": "stirrer_1",
|
||||
"target": "flask_sample",
|
||||
"type": "physical",
|
||||
"port": {
|
||||
"stirrer_1": "stir_rod",
|
||||
"flask_sample": "center"
|
||||
}
|
||||
},
|
||||
{
|
||||
"source": "filter_1",
|
||||
"target": "reactor",
|
||||
"type": "physical",
|
||||
"port": {
|
||||
"filter_1": "filter_element",
|
||||
"reactor": "top"
|
||||
}
|
||||
},
|
||||
{
|
||||
"source": "filter_1",
|
||||
"target": "flask_sample",
|
||||
"type": "physical",
|
||||
"port": {
|
||||
"filter_1": "filter_element",
|
||||
"flask_sample": "top"
|
||||
}
|
||||
},
|
||||
{
|
||||
"source": "filter_1",
|
||||
"target": "filtrate_flask",
|
||||
"type": "physical",
|
||||
"port": {
|
||||
"filter_1": "filter_element",
|
||||
"filtrate_flask": "top"
|
||||
}
|
||||
}
|
||||
]
|
||||
}
|
||||
@@ -30,14 +30,17 @@
|
||||
"children": [],
|
||||
"parent": "ReactorX",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"class": "container",
|
||||
"position": {
|
||||
"x": 698.1111111111111,
|
||||
"y": 428,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 5000.0
|
||||
"max_volume": 5000.0,
|
||||
"size_x": 200.0,
|
||||
"size_y": 200.0,
|
||||
"size_z": 200.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": [
|
||||
@@ -71,7 +74,7 @@
|
||||
"type": "device",
|
||||
"class": "solenoid_valve.mock",
|
||||
"position": {
|
||||
"x": 620.6111111111111,
|
||||
"x": 780,
|
||||
"y": 171,
|
||||
"z": 0
|
||||
},
|
||||
@@ -89,7 +92,7 @@
|
||||
"type": "device",
|
||||
"class": "vacuum_pump.mock",
|
||||
"position": {
|
||||
"x": 620.6111111111111,
|
||||
"x": 500,
|
||||
"y": 171,
|
||||
"z": 0
|
||||
},
|
||||
@@ -107,7 +110,7 @@
|
||||
"type": "device",
|
||||
"class": "gas_source.mock",
|
||||
"position": {
|
||||
"x": 620.6111111111111,
|
||||
"x": 900,
|
||||
"y": 171,
|
||||
"z": 0
|
||||
},
|
||||
@@ -119,39 +122,39 @@
|
||||
],
|
||||
"links": [
|
||||
{
|
||||
"source": "reactor",
|
||||
"target": "vacuum_valve",
|
||||
"type": "physical",
|
||||
"source": "vacuum_valve",
|
||||
"target": "reactor",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"reactor": "top",
|
||||
"vacuum_valve": "1"
|
||||
"vacuum_valve": "out"
|
||||
}
|
||||
},
|
||||
{
|
||||
"source": "reactor",
|
||||
"target": "gas_valve",
|
||||
"type": "physical",
|
||||
"source": "gas_valve",
|
||||
"target": "reactor",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"reactor": "top",
|
||||
"gas_valve": "1"
|
||||
"gas_valve": "out"
|
||||
}
|
||||
},
|
||||
{
|
||||
"source": "vacuum_pump",
|
||||
"target": "vacuum_valve",
|
||||
"type": "physical",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"vacuum_pump": "out",
|
||||
"vacuum_valve": "0"
|
||||
"vacuum_valve": "in"
|
||||
}
|
||||
},
|
||||
{
|
||||
"source": "gas_source",
|
||||
"target": "gas_valve",
|
||||
"type": "physical",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"gas_source": "out",
|
||||
"gas_valve": "0"
|
||||
"gas_valve": "in"
|
||||
}
|
||||
}
|
||||
]
|
||||
|
||||
File diff suppressed because it is too large
Load Diff
1710
test/experiments/plr_test_converted_slim.json
Normal file
1710
test/experiments/plr_test_converted_slim.json
Normal file
File diff suppressed because it is too large
Load Diff
21231
test/experiments/prcxi_9300.json
Normal file
21231
test/experiments/prcxi_9300.json
Normal file
File diff suppressed because it is too large
Load Diff
13567
test/experiments/prcxi_9320.json
Normal file
13567
test/experiments/prcxi_9320.json
Normal file
File diff suppressed because it is too large
Load Diff
13598
test/experiments/prcxi_9320_visual.json
Normal file
13598
test/experiments/prcxi_9320_visual.json
Normal file
File diff suppressed because it is too large
Load Diff
51
test/experiments/test_moveit.json
Normal file
51
test/experiments/test_moveit.json
Normal file
@@ -0,0 +1,51 @@
|
||||
{
|
||||
"nodes": [
|
||||
|
||||
|
||||
{
|
||||
"id": "arm_slider",
|
||||
"name": "arm_slider",
|
||||
"children": [],
|
||||
"parent": null,
|
||||
"type": "device",
|
||||
"class": "moveit.arm_slider",
|
||||
"position": {
|
||||
"x": -500,
|
||||
"y": 1000,
|
||||
"z": -100
|
||||
},
|
||||
"config": {
|
||||
"moveit_type": "arm_slider",
|
||||
"joint_poses": {
|
||||
"arm": {
|
||||
"hotel_1": [
|
||||
1.05,
|
||||
0.568,
|
||||
-1.0821,
|
||||
0.0,
|
||||
1.0821
|
||||
],
|
||||
"home": [
|
||||
0.865,
|
||||
0.09,
|
||||
0.8727,
|
||||
0.0,
|
||||
-0.8727
|
||||
]
|
||||
}
|
||||
},
|
||||
"rotation": {
|
||||
"x": 0,
|
||||
"y": 0,
|
||||
"z": -1.5708,
|
||||
"type": "Rotation"
|
||||
},
|
||||
"device_config": {}
|
||||
},
|
||||
"data": {}
|
||||
}
|
||||
],
|
||||
"links": [
|
||||
|
||||
]
|
||||
}
|
||||
@@ -1,5 +1,6 @@
|
||||
name: unilab
|
||||
channels:
|
||||
- unilab
|
||||
- robostack
|
||||
- robostack-staging
|
||||
- conda-forge
|
||||
@@ -48,8 +49,9 @@ dependencies:
|
||||
- ros-humble-ros2-control
|
||||
- ros-humble-robot-state-publisher
|
||||
- ros-humble-joint-state-publisher
|
||||
# web
|
||||
# web and visualization
|
||||
- ros-humble-rosbridge-server
|
||||
- ros-humble-cv-bridge
|
||||
# geometry & motion planning
|
||||
- ros-humble-tf2
|
||||
- ros-humble-moveit
|
||||
@@ -60,6 +62,8 @@ dependencies:
|
||||
- transforms3d
|
||||
# ros-humble-gazebo-ros // ignored because of the conflict with ign-gazebo
|
||||
# ilab equipments
|
||||
# - ros-humble-unilabos-msgs
|
||||
- uni-lab::ros-humble-unilabos-msgs
|
||||
- pip:
|
||||
- paho-mqtt
|
||||
- paho-mqtt
|
||||
- opentrons_shared_data
|
||||
- git+https://github.com/Xuwznln/pylabrobot
|
||||
@@ -1,5 +1,6 @@
|
||||
name: unilab
|
||||
channels:
|
||||
- unilab
|
||||
- robostack
|
||||
- robostack-staging
|
||||
- conda-forge
|
||||
@@ -60,6 +61,8 @@ dependencies:
|
||||
- transforms3d
|
||||
# ros-humble-gazebo-ros // ignored because of the conflict with ign-gazebo
|
||||
# ilab equipments
|
||||
# - ros-humble-unilabos-msgs
|
||||
- uni-lab::ros-humble-unilabos-msgs
|
||||
- pip:
|
||||
- paho-mqtt
|
||||
- paho-mqtt
|
||||
- opentrons_shared_data
|
||||
- git+https://github.com/Xuwznln/pylabrobot
|
||||
@@ -1,5 +1,6 @@
|
||||
name: unilab
|
||||
channels:
|
||||
- unilab
|
||||
- robostack
|
||||
- robostack-staging
|
||||
- conda-forge
|
||||
@@ -50,8 +51,9 @@ dependencies:
|
||||
- ros-humble-ros2-control
|
||||
- ros-humble-robot-state-publisher
|
||||
- ros-humble-joint-state-publisher
|
||||
# web
|
||||
# web and visualization
|
||||
- ros-humble-rosbridge-server
|
||||
- ros-humble-cv-bridge
|
||||
# geometry & motion planning
|
||||
- ros-humble-tf2
|
||||
- ros-humble-moveit
|
||||
@@ -62,6 +64,8 @@ dependencies:
|
||||
- transforms3d
|
||||
# ros-humble-gazebo-ros // ignored because of the conflict with ign-gazebo
|
||||
# ilab equipments
|
||||
# - ros-humble-unilabos-msgs
|
||||
- uni-lab::ros-humble-unilabos-msgs
|
||||
- pip:
|
||||
- paho-mqtt
|
||||
- paho-mqtt
|
||||
- opentrons_shared_data
|
||||
- git+https://github.com/Xuwznln/pylabrobot
|
||||
@@ -1,17 +1,18 @@
|
||||
name: unilab
|
||||
channels:
|
||||
- unilab
|
||||
- robostack
|
||||
- robostack-staging
|
||||
- conda-forge
|
||||
dependencies:
|
||||
# Basics
|
||||
- python=3.11.11
|
||||
- compilers
|
||||
- cmake
|
||||
- make
|
||||
- ninja
|
||||
- sphinx
|
||||
- sphinx_rtd_theme
|
||||
# - compilers
|
||||
# - cmake
|
||||
# - make
|
||||
# - ninja
|
||||
# - sphinx
|
||||
# - sphinx_rtd_theme
|
||||
# Data Visualization
|
||||
- numpy
|
||||
- scipy
|
||||
@@ -23,7 +24,7 @@ dependencies:
|
||||
- pyserial
|
||||
- pyusb
|
||||
- pylibftdi
|
||||
- pymodbus
|
||||
- pymodbus==3.6.9
|
||||
- python-can
|
||||
- pyvisa
|
||||
- opencv
|
||||
@@ -48,8 +49,9 @@ dependencies:
|
||||
- ros-humble-ros2-control
|
||||
- ros-humble-robot-state-publisher
|
||||
- ros-humble-joint-state-publisher
|
||||
# web
|
||||
# web and visualization
|
||||
- ros-humble-rosbridge-server
|
||||
- ros-humble-cv-bridge
|
||||
# geometry & motion planning
|
||||
- ros-humble-tf2
|
||||
- ros-humble-moveit
|
||||
@@ -60,6 +62,15 @@ dependencies:
|
||||
- transforms3d
|
||||
# ros-humble-gazebo-ros // ignored because of the conflict with ign-gazebo
|
||||
# ilab equipments
|
||||
# ros-humble-unilabos-msgs
|
||||
- uni-lab::ros-humble-unilabos-msgs
|
||||
# driver
|
||||
#- crcmod
|
||||
- pip:
|
||||
- paho-mqtt
|
||||
- paho-mqtt
|
||||
- opentrons_shared_data
|
||||
- git+https://github.com/Xuwznln/pylabrobot
|
||||
# driver
|
||||
#- ur-rtde # set PYTHONUTF8=1
|
||||
#- pyautogui
|
||||
#- pywinauto
|
||||
#- pywinauto_recorder
|
||||
@@ -8,6 +8,7 @@ def start_backend(
|
||||
backend: str,
|
||||
devices_config: dict = {},
|
||||
resources_config: list = [],
|
||||
resources_edge_config: list = [],
|
||||
graph=None,
|
||||
controllers_config: dict = {},
|
||||
bridges=[],
|
||||
@@ -31,7 +32,7 @@ def start_backend(
|
||||
|
||||
backend_thread = threading.Thread(
|
||||
target=main if not without_host else slave,
|
||||
args=(devices_config, resources_config, graph, controllers_config, bridges, visual, resources_mesh_config),
|
||||
args=(devices_config, resources_config, resources_edge_config, graph, controllers_config, bridges, visual, resources_mesh_config),
|
||||
name="backend_thread",
|
||||
daemon=True,
|
||||
)
|
||||
|
||||
@@ -1,8 +1,10 @@
|
||||
|
||||
import json
|
||||
import traceback
|
||||
import uuid
|
||||
from unilabos.app.model import JobAddReq, JobData
|
||||
from unilabos.ros.nodes.presets.host_node import HostNode
|
||||
from unilabos.utils.type_check import serialize_result_info
|
||||
|
||||
|
||||
def get_resources() -> tuple:
|
||||
@@ -25,12 +27,19 @@ def job_add(req: JobAddReq) -> JobData:
|
||||
if req.job_id is None:
|
||||
req.job_id = str(uuid.uuid4())
|
||||
action_name = req.data["action"]
|
||||
action_kwargs = req.data["action_kwargs"]
|
||||
req.data['action'] = action_name
|
||||
if action_name == "execute_command_from_outer":
|
||||
action_kwargs = {"command": json.dumps(action_kwargs)}
|
||||
elif "command" in action_kwargs:
|
||||
action_kwargs = action_kwargs["command"]
|
||||
print(f"job_add:{req.device_id} {action_name} {action_kwargs}")
|
||||
HostNode.get_instance().send_goal(req.device_id, action_name=action_name, action_kwargs=action_kwargs, goal_uuid=req.job_id)
|
||||
action_type = req.data.get("action_type", "LocalUnknown")
|
||||
action_args = req.data.get("action_kwargs", None) # 兼容老版本，后续删除
|
||||
if action_args is None:
|
||||
action_args = req.data.get("action_args")
|
||||
else:
|
||||
if "command" in action_args:
|
||||
action_args = action_args["command"]
|
||||
# print(f"job_add:{req.device_id} {action_name} {action_kwargs}")
|
||||
try:
|
||||
HostNode.get_instance().send_goal(req.device_id, action_type=action_type, action_name=action_name, action_kwargs=action_args, goal_uuid=req.job_id, server_info=req.server_info)
|
||||
except Exception as e:
|
||||
for bridge in HostNode.get_instance().bridges:
|
||||
traceback.print_exc()
|
||||
if hasattr(bridge, "publish_job_status"):
|
||||
bridge.publish_job_status({}, req.job_id, "failed", serialize_result_info(traceback.format_exc(), False, {}))
|
||||
return JobData(jobId=req.job_id)
|
||||
|
||||
@@ -1,7 +1,7 @@
|
||||
import argparse
|
||||
import asyncio
|
||||
import json
|
||||
import os
|
||||
import shutil
|
||||
import signal
|
||||
import sys
|
||||
import threading
|
||||
@@ -10,22 +10,50 @@ from copy import deepcopy
|
||||
|
||||
import yaml
|
||||
|
||||
from unilabos.resources.graphio import modify_to_backend_format
|
||||
|
||||
# 首先添加项目根目录到路径
|
||||
current_dir = os.path.dirname(os.path.abspath(__file__))
|
||||
unilabos_dir = os.path.dirname(os.path.dirname(current_dir))
|
||||
if unilabos_dir not in sys.path:
|
||||
sys.path.append(unilabos_dir)
|
||||
|
||||
from unilabos.config.config import load_config, BasicConfig, _update_config_from_env
|
||||
from unilabos.config.config import load_config, BasicConfig
|
||||
from unilabos.utils.banner_print import print_status, print_unilab_banner
|
||||
|
||||
|
||||
def load_config_from_file(config_path, override_labid=None):
|
||||
if config_path is None:
|
||||
config_path = os.environ.get("UNILABOS_BASICCONFIG_CONFIG_PATH", None)
|
||||
if config_path:
|
||||
if not os.path.exists(config_path):
|
||||
print_status(f"配置文件 {config_path} 不存在", "error")
|
||||
elif not config_path.endswith(".py"):
|
||||
print_status(f"配置文件 {config_path} 不是Python文件，必须以.py结尾", "error")
|
||||
else:
|
||||
load_config(config_path, override_labid)
|
||||
else:
|
||||
print_status(f"启动 UniLab-OS时，配置文件参数未正确传入 --config '{config_path}' 尝试本地配置...", "warning")
|
||||
load_config(config_path, override_labid)
|
||||
|
||||
|
||||
def convert_argv_dashes_to_underscores(args: argparse.ArgumentParser):
|
||||
# easier for user input, easier for dev search code
|
||||
option_strings = list(args._option_string_actions.keys())
|
||||
for i, arg in enumerate(sys.argv):
|
||||
for option_string in option_strings:
|
||||
if arg.startswith(option_string):
|
||||
new_arg = arg[:2] + arg[2 : len(option_string)].replace("-", "_") + arg[len(option_string) :]
|
||||
sys.argv[i] = new_arg
|
||||
break
|
||||
|
||||
|
||||
def parse_args():
|
||||
"""解析命令行参数"""
|
||||
parser = argparse.ArgumentParser(description="Start Uni-Lab Edge server.")
|
||||
parser.add_argument("-g", "--graph", help="Physical setup graph.")
|
||||
parser.add_argument("-d", "--devices", help="Devices config file.")
|
||||
parser.add_argument("-r", "--resources", help="Resources config file.")
|
||||
# parser.add_argument("-d", "--devices", help="Devices config file.")
|
||||
# parser.add_argument("-r", "--resources", help="Resources config file.")
|
||||
parser.add_argument("-c", "--controllers", default=None, help="Controllers config file.")
|
||||
parser.add_argument(
|
||||
"--registry_path",
|
||||
@@ -34,6 +62,12 @@ def parse_args():
|
||||
action="append",
|
||||
help="Path to the registry",
|
||||
)
|
||||
parser.add_argument(
|
||||
"--working_dir",
|
||||
type=str,
|
||||
default=None,
|
||||
help="Path to the working directory",
|
||||
)
|
||||
parser.add_argument(
|
||||
"--backend",
|
||||
choices=["ros", "simple", "automancer"],
|
||||
@@ -56,6 +90,11 @@ def parse_args():
|
||||
action="store_true",
|
||||
help="Slave模式下跳过等待host服务",
|
||||
)
|
||||
parser.add_argument(
|
||||
"--upload_registry",
|
||||
action="store_true",
|
||||
help="启动unilab时同时报送注册表信息",
|
||||
)
|
||||
parser.add_argument(
|
||||
"--config",
|
||||
type=str,
|
||||
@@ -70,12 +109,12 @@ def parse_args():
|
||||
)
|
||||
parser.add_argument(
|
||||
"--disable_browser",
|
||||
action='store_true',
|
||||
action="store_true",
|
||||
help="是否在启动时关闭信息页",
|
||||
)
|
||||
parser.add_argument(
|
||||
"--2d_vis",
|
||||
action='store_true',
|
||||
action="store_true",
|
||||
help="是否在pylabrobot实例启动时，同时启动可视化",
|
||||
)
|
||||
parser.add_argument(
|
||||
@@ -84,33 +123,81 @@ def parse_args():
|
||||
default="disable",
|
||||
help="选择可视化工具: rviz, web",
|
||||
)
|
||||
return parser.parse_args()
|
||||
parser.add_argument(
|
||||
"--labid",
|
||||
type=str,
|
||||
default="",
|
||||
help="实验室唯一ID，也可通过环境变量 UNILABOS_MQCONFIG_LABID 设置或传入--config设置",
|
||||
)
|
||||
parser.add_argument(
|
||||
"--skip_env_check",
|
||||
action="store_true",
|
||||
help="跳过启动时的环境依赖检查",
|
||||
)
|
||||
return parser
|
||||
|
||||
|
||||
def main():
|
||||
"""主函数"""
|
||||
# 解析命令行参数
|
||||
args = parse_args()
|
||||
args_dict = vars(args)
|
||||
convert_argv_dashes_to_underscores(args)
|
||||
args_dict = vars(args.parse_args())
|
||||
|
||||
# 环境检查 - 检查并自动安装必需的包 (可选)
|
||||
if not args_dict.get("skip_env_check", False):
|
||||
from unilabos.utils.environment_check import check_environment
|
||||
|
||||
print_status("正在进行环境依赖检查...", "info")
|
||||
if not check_environment(auto_install=True):
|
||||
print_status("环境检查失败，程序退出", "error")
|
||||
os._exit(1)
|
||||
else:
|
||||
print_status("跳过环境依赖检查", "warning")
|
||||
|
||||
# 加载配置文件，优先加载config，然后从env读取
|
||||
config_path = args_dict.get("config")
|
||||
if config_path is None:
|
||||
config_path = os.environ.get("UNILABOS.BASICCONFIG.CONFIG_PATH", None)
|
||||
if config_path:
|
||||
if not os.path.exists(config_path):
|
||||
print_status(f"配置文件 {config_path} 不存在", "error")
|
||||
elif not config_path.endswith(".py"):
|
||||
print_status(f"配置文件 {config_path} 不是Python文件，必须以.py结尾", "error")
|
||||
else:
|
||||
load_config(config_path)
|
||||
if os.getcwd().endswith("unilabos_data"):
|
||||
working_dir = os.path.abspath(os.getcwd())
|
||||
else:
|
||||
print_status(f"启动 UniLab-OS时，配置文件参数未正确传入 --config '{config_path}' 尝试本地配置...", "warning")
|
||||
load_config(config_path)
|
||||
working_dir = os.path.abspath(os.path.join(os.getcwd(), "unilabos_data"))
|
||||
if args_dict.get("working_dir"):
|
||||
working_dir = args_dict.get("working_dir")
|
||||
if config_path and not os.path.exists(config_path):
|
||||
config_path = os.path.join(working_dir, "local_config.py")
|
||||
if not os.path.exists(config_path):
|
||||
print_status(
|
||||
f"当前工作目录 {working_dir} 未找到local_config.py，请通过 --config 传入 local_config.py 文件路径",
|
||||
"error",
|
||||
)
|
||||
os._exit(1)
|
||||
elif os.path.exists(working_dir) and os.path.exists(os.path.join(working_dir, "local_config.py")):
|
||||
config_path = os.path.join(working_dir, "local_config.py")
|
||||
elif not config_path and (
|
||||
not os.path.exists(working_dir) or not os.path.exists(os.path.join(working_dir, "local_config.py"))
|
||||
):
|
||||
print_status(f"未指定config路径，可通过 --config 传入 local_config.py 文件路径", "info")
|
||||
print_status(f"您是否为第一次使用？并将当前路径 {working_dir} 作为工作目录？ (Y/n)", "info")
|
||||
if input() != "n":
|
||||
os.makedirs(working_dir, exist_ok=True)
|
||||
config_path = os.path.join(working_dir, "local_config.py")
|
||||
shutil.copy(
|
||||
os.path.join(os.path.dirname(os.path.dirname(__file__)), "config", "example_config.py"), config_path
|
||||
)
|
||||
print_status(f"已创建 local_config.py 路径： {config_path}", "info")
|
||||
print_status(f"请在文件夹中配置lab_id，放入下载的CA.crt、lab.crt、lab.key重新启动本程序", "info")
|
||||
os._exit(1)
|
||||
else:
|
||||
os._exit(1)
|
||||
# 加载配置文件
|
||||
print_status(f"当前工作目录为 {working_dir}", "info")
|
||||
load_config_from_file(config_path, args_dict["labid"])
|
||||
|
||||
# 设置BasicConfig参数
|
||||
BasicConfig.working_dir = working_dir
|
||||
BasicConfig.is_host_mode = not args_dict.get("without_host", False)
|
||||
BasicConfig.slave_no_host = args_dict.get("slave_no_host", False)
|
||||
BasicConfig.upload_registry = args_dict.get("upload_registry", False)
|
||||
machine_name = os.popen("hostname").read().strip()
|
||||
machine_name = "".join([c if c.isalnum() or c == "_" else "_" for c in machine_name])
|
||||
BasicConfig.machine_name = machine_name
|
||||
@@ -134,29 +221,31 @@ def main():
|
||||
|
||||
# 注册表
|
||||
build_registry(args_dict["registry_path"])
|
||||
|
||||
devices_and_resources = None
|
||||
if args_dict["graph"] is not None:
|
||||
import unilabos.resources.graphio as graph_res
|
||||
graph_res.physical_setup_graph = (
|
||||
read_node_link_json(args_dict["graph"])
|
||||
if args_dict["graph"].endswith(".json")
|
||||
else read_graphml(args_dict["graph"])
|
||||
)
|
||||
devices_and_resources = dict_from_graph(graph_res.physical_setup_graph)
|
||||
args_dict["resources_config"] = initialize_resources(list(deepcopy(devices_and_resources).values()))
|
||||
args_dict["devices_config"] = dict_to_nested_dict(deepcopy(devices_and_resources), devices_only=False)
|
||||
# args_dict["resources_config"] = dict_to_tree(devices_and_resources, devices_only=False)
|
||||
|
||||
args_dict["graph"] = graph_res.physical_setup_graph
|
||||
if args_dict["graph"] is None:
|
||||
request_startup_json = http_client.request_startup_json()
|
||||
if not request_startup_json:
|
||||
print_status(
|
||||
"未指定设备加载文件路径，尝试从HTTP获取失败，请检查网络或者使用-g参数指定设备加载文件路径", "error"
|
||||
)
|
||||
os._exit(1)
|
||||
else:
|
||||
print_status("联网获取设备加载文件成功", "info")
|
||||
graph, data = read_node_link_json(request_startup_json)
|
||||
else:
|
||||
if args_dict["devices"] is None or args_dict["resources"] is None:
|
||||
print_status("Either graph or devices and resources must be provided.", "error")
|
||||
sys.exit(1)
|
||||
args_dict["devices_config"] = json.load(open(args_dict["devices"], encoding="utf-8"))
|
||||
args_dict["resources_config"] = initialize_resources(
|
||||
list(json.load(open(args_dict["resources"], encoding="utf-8")).values())
|
||||
)
|
||||
file_path = args_dict["graph"]
|
||||
if file_path.endswith(".json"):
|
||||
graph, data = read_node_link_json(file_path)
|
||||
else:
|
||||
graph, data = read_graphml(file_path)
|
||||
import unilabos.resources.graphio as graph_res
|
||||
|
||||
graph_res.physical_setup_graph = graph
|
||||
resource_edge_info = modify_to_backend_format(data["links"])
|
||||
devices_and_resources = dict_from_graph(graph_res.physical_setup_graph)
|
||||
# args_dict["resources_config"] = initialize_resources(list(deepcopy(devices_and_resources).values()))
|
||||
args_dict["resources_config"] = list(devices_and_resources.values())
|
||||
args_dict["devices_config"] = dict_to_nested_dict(deepcopy(devices_and_resources), devices_only=False)
|
||||
args_dict["graph"] = graph_res.physical_setup_graph
|
||||
|
||||
print_status(f"{len(args_dict['resources_config'])} Resources loaded:", "info")
|
||||
for i in args_dict["resources_config"]:
|
||||
@@ -183,17 +272,27 @@ def main():
|
||||
signal.signal(signal.SIGTERM, _exit)
|
||||
mqtt_client.start()
|
||||
args_dict["resources_mesh_config"] = {}
|
||||
args_dict["resources_edge_config"] = resource_edge_info
|
||||
# web visiualize 2D
|
||||
if args_dict["visual"] != "disable":
|
||||
enable_rviz = args_dict["visual"] == "rviz"
|
||||
if devices_and_resources is not None:
|
||||
from unilabos.device_mesh.resource_visalization import ResourceVisualization # 此处开启后，logger会变更为INFO，有需要请调整
|
||||
resource_visualization = ResourceVisualization(devices_and_resources, args_dict["resources_config"] ,enable_rviz=enable_rviz)
|
||||
from unilabos.device_mesh.resource_visalization import (
|
||||
ResourceVisualization,
|
||||
) # 此处开启后，logger会变更为INFO，有需要请调整
|
||||
|
||||
resource_visualization = ResourceVisualization(
|
||||
devices_and_resources, args_dict["resources_config"], enable_rviz=enable_rviz
|
||||
)
|
||||
args_dict["resources_mesh_config"] = resource_visualization.resource_model
|
||||
start_backend(**args_dict)
|
||||
server_thread = threading.Thread(target=start_server, kwargs=dict(
|
||||
open_browser=not args_dict["disable_browser"], port=args_dict["port"],
|
||||
))
|
||||
server_thread = threading.Thread(
|
||||
target=start_server,
|
||||
kwargs=dict(
|
||||
open_browser=not args_dict["disable_browser"],
|
||||
port=args_dict["port"],
|
||||
),
|
||||
)
|
||||
server_thread.start()
|
||||
asyncio.set_event_loop(asyncio.new_event_loop())
|
||||
resource_visualization.start()
|
||||
@@ -201,10 +300,16 @@ def main():
|
||||
time.sleep(1)
|
||||
else:
|
||||
start_backend(**args_dict)
|
||||
start_server(open_browser=not args_dict["disable_browser"], port=args_dict["port"],)
|
||||
start_server(
|
||||
open_browser=not args_dict["disable_browser"],
|
||||
port=args_dict["port"],
|
||||
)
|
||||
else:
|
||||
start_backend(**args_dict)
|
||||
start_server(open_browser=not args_dict["disable_browser"], port=args_dict["port"],)
|
||||
start_server(
|
||||
open_browser=not args_dict["disable_browser"],
|
||||
port=args_dict["port"],
|
||||
)
|
||||
|
||||
|
||||
if __name__ == "__main__":
|
||||
|
||||
@@ -51,8 +51,9 @@ class Resp(BaseModel):
|
||||
class JobAddReq(BaseModel):
|
||||
device_id: str = Field(examples=["Gripper"], description="device id")
|
||||
data: dict = Field(examples=[{"position": 30, "torque": 5, "action": "push_to"}])
|
||||
job_id: str = Field(examples=["sfsfsfeq"], description="goal uuid")
|
||||
node_id: str = Field(examples=["sfsfsfeq"], description="node uuid")
|
||||
job_id: str = Field(examples=["job_id"], description="goal uuid")
|
||||
node_id: str = Field(examples=["node_id"], description="node uuid")
|
||||
server_info: dict = Field(examples=[{"send_timestamp": 1717000000.0}], description="server info")
|
||||
|
||||
|
||||
class JobStepFinishReq(BaseModel):
|
||||
|
||||
@@ -1,6 +1,7 @@
|
||||
import json
|
||||
import time
|
||||
import traceback
|
||||
from typing import Optional
|
||||
import uuid
|
||||
|
||||
import paho.mqtt.client as mqtt
|
||||
@@ -12,7 +13,7 @@ import tempfile
|
||||
import os
|
||||
|
||||
from unilabos.config.config import MQConfig
|
||||
from unilabos.app.controler import devices, job_add
|
||||
from unilabos.app.controler import job_add
|
||||
from unilabos.app.model import JobAddReq
|
||||
from unilabos.utils import logger
|
||||
from unilabos.utils.type_check import TypeEncoder
|
||||
@@ -43,13 +44,10 @@ class MQTTClient:
|
||||
def _on_connect(self, client, userdata, flags, rc, properties=None):
|
||||
logger.info("[MQTT] Connected with result code " + str(rc))
|
||||
client.subscribe(f"labs/{MQConfig.lab_id}/job/start/", 0)
|
||||
isok, data = devices()
|
||||
if not isok:
|
||||
logger.error("[MQTT] on_connect ErrorHostNotInit")
|
||||
return
|
||||
client.subscribe(f"labs/{MQConfig.lab_id}/pong/", 0)
|
||||
|
||||
def _on_message(self, client, userdata, msg) -> None:
|
||||
logger.info("[MQTT] on_message<<<< " + msg.topic + " " + str(msg.payload))
|
||||
# logger.info("[MQTT] on_message<<<< " + msg.topic + " " + str(msg.payload))
|
||||
try:
|
||||
payload_str = msg.payload.decode("utf-8")
|
||||
payload_json = json.loads(payload_str)
|
||||
@@ -58,11 +56,23 @@ class MQTTClient:
|
||||
payload_json["data"] = {}
|
||||
if "action" in payload_json:
|
||||
payload_json["data"]["action"] = payload_json.pop("action")
|
||||
if "action_type" in payload_json:
|
||||
payload_json["data"]["action_type"] = payload_json.pop("action_type")
|
||||
if "action_args" in payload_json:
|
||||
payload_json["data"]["action_args"] = payload_json.pop("action_args")
|
||||
if "action_kwargs" in payload_json:
|
||||
payload_json["data"]["action_kwargs"] = payload_json.pop("action_kwargs")
|
||||
job_req = JobAddReq.model_validate(payload_json)
|
||||
data = job_add(job_req)
|
||||
return
|
||||
elif msg.topic == f"labs/{MQConfig.lab_id}/pong/":
|
||||
# 处理pong响应，通知HostNode
|
||||
from unilabos.ros.nodes.presets.host_node import HostNode
|
||||
|
||||
host_instance = HostNode.get_instance(0)
|
||||
if host_instance:
|
||||
host_instance.handle_pong_response(payload_json)
|
||||
return
|
||||
|
||||
except json.JSONDecodeError as e:
|
||||
logger.error(f"[MQTT] JSON 解析错误: {e}")
|
||||
@@ -153,24 +163,27 @@ class MQTTClient:
|
||||
# status = device_status.get(device_id, {})
|
||||
if self.mqtt_disable:
|
||||
return
|
||||
status = {"data": device_status.get(device_id, {}), "device_id": device_id}
|
||||
status = {"data": device_status.get(device_id, {}), "device_id": device_id, "timestamp": time.time()}
|
||||
address = f"labs/{MQConfig.lab_id}/devices/"
|
||||
self.client.publish(address, json.dumps(status), qos=2)
|
||||
logger.critical(f"Device status published: address: {address}, {status}")
|
||||
logger.info(f"Device {device_id} status published: address: {address}, {status}")
|
||||
|
||||
def publish_job_status(self, feedback_data: dict, job_id: str, status: str):
|
||||
def publish_job_status(self, feedback_data: dict, job_id: str, status: str, return_info: Optional[str] = None):
|
||||
if self.mqtt_disable:
|
||||
return
|
||||
jobdata = {"job_id": job_id, "data": feedback_data, "status": status}
|
||||
if return_info is None:
|
||||
return_info = "{}"
|
||||
jobdata = {"job_id": job_id, "data": feedback_data, "status": status, "return_info": return_info}
|
||||
self.client.publish(f"labs/{MQConfig.lab_id}/job/list/", json.dumps(jobdata), qos=2)
|
||||
|
||||
def publish_registry(self, device_id: str, device_info: dict):
|
||||
def publish_registry(self, device_id: str, device_info: dict, print_debug: bool = True):
|
||||
if self.mqtt_disable:
|
||||
return
|
||||
address = f"labs/{MQConfig.lab_id}/registry/"
|
||||
registry_data = json.dumps({device_id: device_info}, ensure_ascii=False, cls=TypeEncoder)
|
||||
self.client.publish(address, registry_data, qos=2)
|
||||
logger.debug(f"Registry data published: address: {address}, {registry_data}")
|
||||
if print_debug:
|
||||
logger.debug(f"Registry data published: address: {address}, {registry_data}")
|
||||
|
||||
def publish_actions(self, action_id: str, action_info: dict):
|
||||
if self.mqtt_disable:
|
||||
@@ -179,6 +192,28 @@ class MQTTClient:
|
||||
self.client.publish(address, json.dumps(action_info), qos=2)
|
||||
logger.debug(f"Action data published: address: {address}, {action_id}, {action_info}")
|
||||
|
||||
def send_ping(self, ping_id: str, timestamp: float):
|
||||
"""发送ping消息到服务端"""
|
||||
if self.mqtt_disable:
|
||||
return
|
||||
address = f"labs/{MQConfig.lab_id}/ping/"
|
||||
ping_data = {"ping_id": ping_id, "client_timestamp": timestamp, "type": "ping"}
|
||||
self.client.publish(address, json.dumps(ping_data), qos=2)
|
||||
|
||||
def setup_pong_subscription(self):
|
||||
"""设置pong消息订阅"""
|
||||
if self.mqtt_disable:
|
||||
return
|
||||
pong_topic = f"labs/{MQConfig.lab_id}/pong/"
|
||||
self.client.subscribe(pong_topic, 0)
|
||||
logger.debug(f"Subscribed to pong topic: {pong_topic}")
|
||||
|
||||
def handle_pong(self, pong_data: dict):
|
||||
"""处理pong响应（这个方法会在收到pong消息时被调用）"""
|
||||
logger.debug(f"Pong received: {pong_data}")
|
||||
# 这里会被HostNode的ping-pong处理逻辑调用
|
||||
pass
|
||||
|
||||
|
||||
mqtt_client = MQTTClient()
|
||||
|
||||
|
||||
85
unilabos/app/register.py
Normal file
85
unilabos/app/register.py
Normal file
@@ -0,0 +1,85 @@
|
||||
import argparse
|
||||
import time
|
||||
|
||||
from unilabos.registry.registry import build_registry
|
||||
|
||||
from unilabos.app.main import load_config_from_file
|
||||
from unilabos.utils.log import logger
|
||||
|
||||
|
||||
def register_devices_and_resources(mqtt_client, lab_registry):
|
||||
"""
|
||||
注册设备和资源到 MQTT
|
||||
"""
|
||||
logger.info("[UniLab Register] 开始注册设备和资源...")
|
||||
|
||||
# 注册设备信息
|
||||
for device_info in lab_registry.obtain_registry_device_info():
|
||||
mqtt_client.publish_registry(device_info["id"], device_info, False)
|
||||
logger.debug(f"[UniLab Register] 注册设备: {device_info['id']}")
|
||||
|
||||
# # 注册资源信息
|
||||
# for resource_info in lab_registry.obtain_registry_resource_info():
|
||||
# mqtt_client.publish_registry(resource_info["id"], resource_info, False)
|
||||
# logger.debug(f"[UniLab Register] 注册资源: {resource_info['id']}")
|
||||
|
||||
# 注册资源信息 - 使用HTTP方式
|
||||
from unilabos.app.web.client import http_client
|
||||
|
||||
resources_to_register = {}
|
||||
for resource_info in lab_registry.obtain_registry_resource_info():
|
||||
resources_to_register[resource_info["id"]] = resource_info
|
||||
logger.debug(f"[UniLab Register] 准备注册资源: {resource_info['id']}")
|
||||
|
||||
if resources_to_register:
|
||||
start_time = time.time()
|
||||
response = http_client.resource_registry(resources_to_register)
|
||||
cost_time = time.time() - start_time
|
||||
if response.status_code in [200, 201]:
|
||||
logger.info(f"[UniLab Register] 成功通过HTTP注册 {len(resources_to_register)} 个资源 {cost_time}ms")
|
||||
else:
|
||||
logger.error(f"[UniLab Register] HTTP注册资源失败: {response.status_code}, {response.text} {cost_time}ms")
|
||||
logger.info("[UniLab Register] 设备和资源注册完成.")
|
||||
|
||||
|
||||
def main():
|
||||
"""
|
||||
命令行入口函数
|
||||
"""
|
||||
parser = argparse.ArgumentParser(description="注册设备和资源到 MQTT")
|
||||
parser.add_argument(
|
||||
"--registry",
|
||||
type=str,
|
||||
default=None,
|
||||
action="append",
|
||||
help="注册表路径",
|
||||
)
|
||||
parser.add_argument(
|
||||
"--config",
|
||||
type=str,
|
||||
default=None,
|
||||
help="配置文件路径，支持.py格式的Python配置文件",
|
||||
)
|
||||
parser.add_argument(
|
||||
"--complete_registry",
|
||||
action="store_true",
|
||||
default=False,
|
||||
help="是否补全注册表",
|
||||
)
|
||||
args = parser.parse_args()
|
||||
load_config_from_file(args.config)
|
||||
# 构建注册表
|
||||
build_registry(args.registry, args.complete_registry)
|
||||
from unilabos.app.mq import mqtt_client
|
||||
|
||||
# 连接mqtt
|
||||
mqtt_client.start()
|
||||
|
||||
from unilabos.registry.registry import lab_registry
|
||||
|
||||
# 注册设备和资源
|
||||
register_devices_and_resources(mqtt_client, lab_registry)
|
||||
|
||||
|
||||
if __name__ == "__main__":
|
||||
main()
|
||||
@@ -3,12 +3,13 @@ HTTP客户端模块
|
||||
|
||||
提供与远程服务器通信的客户端功能，只有host需要用
|
||||
"""
|
||||
|
||||
import json
|
||||
import os
|
||||
from typing import List, Dict, Any, Optional
|
||||
|
||||
import requests
|
||||
from unilabos.utils.log import info
|
||||
from unilabos.config.config import MQConfig, HTTPConfig
|
||||
from unilabos.config.config import MQConfig, HTTPConfig, BasicConfig
|
||||
from unilabos.utils import logger
|
||||
|
||||
|
||||
@@ -30,22 +31,45 @@ class HTTPClient:
|
||||
self.auth = MQConfig.lab_id
|
||||
info(f"HTTPClient 初始化完成: remote_addr={self.remote_addr}")
|
||||
|
||||
def resource_add(self, resources: List[Dict[str, Any]]) -> requests.Response:
|
||||
def resource_edge_add(self, resources: List[Dict[str, Any]], database_process_later: bool) -> requests.Response:
|
||||
"""
|
||||
添加资源
|
||||
|
||||
Args:
|
||||
resources: 要添加的资源列表
|
||||
database_process_later: 后台处理资源
|
||||
Returns:
|
||||
Response: API响应对象
|
||||
"""
|
||||
database_param = 1 if database_process_later else 0
|
||||
response = requests.post(
|
||||
f"{self.remote_addr}/lab/resource/edge/batch_create/?database_process_later={database_param}",
|
||||
json=resources,
|
||||
headers={"Authorization": f"lab {self.auth}"},
|
||||
timeout=100,
|
||||
)
|
||||
if response.status_code != 200 and response.status_code != 201:
|
||||
logger.error(f"添加物料关系失败: {response.status_code}, {response.text}")
|
||||
return response
|
||||
|
||||
def resource_add(self, resources: List[Dict[str, Any]], database_process_later: bool) -> requests.Response:
|
||||
"""
|
||||
添加资源
|
||||
|
||||
Args:
|
||||
resources: 要添加的资源列表
|
||||
database_process_later: 后台处理资源
|
||||
Returns:
|
||||
Response: API响应对象
|
||||
"""
|
||||
response = requests.post(
|
||||
f"{self.remote_addr}/lab/resource/",
|
||||
f"{self.remote_addr}/lab/resource/?database_process_later={1 if database_process_later else 0}",
|
||||
json=resources,
|
||||
headers={"Authorization": f"lab {self.auth}"},
|
||||
timeout=5,
|
||||
timeout=100,
|
||||
)
|
||||
if response.status_code != 200:
|
||||
logger.error(f"添加物料失败: {response.text}")
|
||||
return response
|
||||
|
||||
def resource_get(self, id: str, with_children: bool = False) -> Dict[str, Any]:
|
||||
@@ -60,10 +84,10 @@ class HTTPClient:
|
||||
Dict: 返回的资源数据
|
||||
"""
|
||||
response = requests.get(
|
||||
f"{self.remote_addr}/lab/resource/",
|
||||
f"{self.remote_addr}/lab/resource/?edge_format=1",
|
||||
params={"id": id, "with_children": with_children},
|
||||
headers={"Authorization": f"lab {self.auth}"},
|
||||
timeout=5,
|
||||
timeout=20,
|
||||
)
|
||||
return response.json()
|
||||
|
||||
@@ -81,7 +105,7 @@ class HTTPClient:
|
||||
f"{self.remote_addr}/lab/resource/batch_delete/",
|
||||
params={"id": id},
|
||||
headers={"Authorization": f"lab {self.auth}"},
|
||||
timeout=5,
|
||||
timeout=20,
|
||||
)
|
||||
return response
|
||||
|
||||
@@ -96,10 +120,10 @@ class HTTPClient:
|
||||
Response: API响应对象
|
||||
"""
|
||||
response = requests.patch(
|
||||
f"{self.remote_addr}/lab/resource/batch_update/",
|
||||
f"{self.remote_addr}/lab/resource/batch_update/?edge_format=1",
|
||||
json=resources,
|
||||
headers={"Authorization": f"lab {self.auth}"},
|
||||
timeout=5,
|
||||
timeout=100,
|
||||
)
|
||||
return response
|
||||
|
||||
@@ -127,6 +151,56 @@ class HTTPClient:
|
||||
)
|
||||
return response
|
||||
|
||||
def resource_registry(self, registry_data: Dict[str, Any]) -> requests.Response:
|
||||
"""
|
||||
注册资源到服务器
|
||||
|
||||
Args:
|
||||
registry_data: 注册表数据，格式为 {resource_id: resource_info}
|
||||
|
||||
Returns:
|
||||
Response: API响应对象
|
||||
"""
|
||||
response = requests.post(
|
||||
f"{self.remote_addr}/lab/registry/",
|
||||
json=registry_data,
|
||||
headers={"Authorization": f"lab {self.auth}"},
|
||||
timeout=30,
|
||||
)
|
||||
if response.status_code not in [200, 201]:
|
||||
logger.error(f"注册资源失败: {response.status_code}, {response.text}")
|
||||
return response
|
||||
|
||||
def request_startup_json(self) -> Optional[Dict[str, Any]]:
|
||||
"""
|
||||
请求启动配置
|
||||
|
||||
Args:
|
||||
startup_json: 启动配置JSON数据
|
||||
|
||||
Returns:
|
||||
Response: API响应对象
|
||||
"""
|
||||
response = requests.get(
|
||||
f"{self.remote_addr}/lab/resource/graph_info/",
|
||||
headers={"Authorization": f"lab {self.auth}"},
|
||||
timeout=(3, 30),
|
||||
)
|
||||
if response.status_code != 200:
|
||||
logger.error(f"请求启动配置失败: {response.status_code}, {response.text}")
|
||||
else:
|
||||
try:
|
||||
with open(os.path.join(BasicConfig.working_dir, "startup_config.json"), "w", encoding="utf-8") as f:
|
||||
f.write(response.text)
|
||||
target_dict = json.loads(response.text)
|
||||
if "data" in target_dict:
|
||||
target_dict = target_dict["data"]
|
||||
return target_dict
|
||||
except json.JSONDecodeError as e:
|
||||
logger.error(f"解析启动配置JSON失败: {str(e.args)}\n响应内容: {response.text}")
|
||||
logger.error(f"响应内容: {response.text}")
|
||||
return None
|
||||
|
||||
|
||||
# 创建默认客户端实例
|
||||
http_client = HTTPClient()
|
||||
|
||||
@@ -7,6 +7,7 @@ Web页面模块
|
||||
import json
|
||||
import os
|
||||
import sys
|
||||
import traceback
|
||||
from pathlib import Path
|
||||
from typing import Dict
|
||||
|
||||
@@ -16,9 +17,8 @@ from jinja2 import Environment, FileSystemLoader
|
||||
|
||||
from unilabos.config.config import BasicConfig
|
||||
from unilabos.registry.registry import lab_registry
|
||||
from unilabos.app.mq import mqtt_client
|
||||
from unilabos.ros.msgs.message_converter import msg_converter_manager
|
||||
from unilabos.utils.log import error
|
||||
from unilabos.utils.log import error, debug
|
||||
from unilabos.utils.type_check import TypeEncoder
|
||||
from unilabos.app.web.utils.device_utils import get_registry_info
|
||||
from unilabos.app.web.utils.host_utils import get_host_node_info
|
||||
@@ -124,6 +124,7 @@ def setup_web_pages(router: APIRouter) -> None:
|
||||
|
||||
return html
|
||||
except Exception as e:
|
||||
debug(traceback.format_exc())
|
||||
error(f"生成状态页面时出错: {str(e)}")
|
||||
raise HTTPException(status_code=500, detail=f"Error generating status page: {str(e)}")
|
||||
|
||||
|
||||
@@ -65,6 +65,8 @@ def get_yaml_from_goal_type(goal_type) -> str:
|
||||
Returns:
|
||||
str: 默认Goal参数的YAML格式字符串
|
||||
"""
|
||||
if isinstance(goal_type, str):
|
||||
return "{}"
|
||||
if not goal_type:
|
||||
return "{}"
|
||||
|
||||
|
||||
@@ -5,15 +5,55 @@ from .separate_protocol import generate_separate_protocol
|
||||
from .evaporate_protocol import generate_evaporate_protocol
|
||||
from .evacuateandrefill_protocol import generate_evacuateandrefill_protocol
|
||||
from .agv_transfer_protocol import generate_agv_transfer_protocol
|
||||
from .add_protocol import generate_add_protocol
|
||||
from .centrifuge_protocol import generate_centrifuge_protocol
|
||||
from .filter_protocol import generate_filter_protocol
|
||||
from .heatchill_protocol import (
|
||||
generate_heat_chill_protocol,
|
||||
generate_heat_chill_start_protocol,
|
||||
generate_heat_chill_stop_protocol,
|
||||
generate_heat_chill_to_temp_protocol # 保留导入，但不注册为协议
|
||||
)
|
||||
from .stir_protocol import generate_stir_protocol, generate_start_stir_protocol, generate_stop_stir_protocol
|
||||
from .transfer_protocol import generate_transfer_protocol
|
||||
from .clean_vessel_protocol import generate_clean_vessel_protocol
|
||||
from .dissolve_protocol import generate_dissolve_protocol
|
||||
from .filter_through_protocol import generate_filter_through_protocol
|
||||
from .run_column_protocol import generate_run_column_protocol
|
||||
from .wash_solid_protocol import generate_wash_solid_protocol
|
||||
from .adjustph_protocol import generate_adjust_ph_protocol
|
||||
from .reset_handling_protocol import generate_reset_handling_protocol
|
||||
from .dry_protocol import generate_dry_protocol
|
||||
from .recrystallize_protocol import generate_recrystallize_protocol
|
||||
from .hydrogenate_protocol import generate_hydrogenate_protocol
|
||||
|
||||
|
||||
# Define a dictionary of protocol generators.
|
||||
action_protocol_generators = {
|
||||
PumpTransferProtocol: generate_pump_protocol_with_rinsing,
|
||||
CleanProtocol: generate_clean_protocol,
|
||||
SeparateProtocol: generate_separate_protocol,
|
||||
EvaporateProtocol: generate_evaporate_protocol,
|
||||
EvacuateAndRefillProtocol: generate_evacuateandrefill_protocol,
|
||||
AddProtocol: generate_add_protocol,
|
||||
AGVTransferProtocol: generate_agv_transfer_protocol,
|
||||
}
|
||||
# End Protocols
|
||||
AdjustPHProtocol: generate_adjust_ph_protocol,
|
||||
CentrifugeProtocol: generate_centrifuge_protocol,
|
||||
CleanProtocol: generate_clean_protocol,
|
||||
CleanVesselProtocol: generate_clean_vessel_protocol,
|
||||
DissolveProtocol: generate_dissolve_protocol,
|
||||
DryProtocol: generate_dry_protocol,
|
||||
EvacuateAndRefillProtocol: generate_evacuateandrefill_protocol,
|
||||
EvaporateProtocol: generate_evaporate_protocol,
|
||||
FilterProtocol: generate_filter_protocol,
|
||||
FilterThroughProtocol: generate_filter_through_protocol,
|
||||
HeatChillProtocol: generate_heat_chill_protocol,
|
||||
HeatChillStartProtocol: generate_heat_chill_start_protocol,
|
||||
HeatChillStopProtocol: generate_heat_chill_stop_protocol,
|
||||
HydrogenateProtocol: generate_hydrogenate_protocol,
|
||||
PumpTransferProtocol: generate_pump_protocol_with_rinsing,
|
||||
RecrystallizeProtocol: generate_recrystallize_protocol,
|
||||
ResetHandlingProtocol: generate_reset_handling_protocol,
|
||||
RunColumnProtocol: generate_run_column_protocol,
|
||||
SeparateProtocol: generate_separate_protocol,
|
||||
StartStirProtocol: generate_start_stir_protocol,
|
||||
StirProtocol: generate_stir_protocol,
|
||||
StopStirProtocol: generate_stop_stir_protocol,
|
||||
TransferProtocol: generate_transfer_protocol,
|
||||
WashSolidProtocol: generate_wash_solid_protocol,
|
||||
}
|
||||
726
unilabos/compile/add_protocol.py
Normal file
726
unilabos/compile/add_protocol.py
Normal file
@@ -0,0 +1,726 @@
|
||||
import networkx as nx
|
||||
import re
|
||||
import logging
|
||||
from typing import List, Dict, Any, Union
|
||||
from .pump_protocol import generate_pump_protocol_with_rinsing
|
||||
|
||||
logger = logging.getLogger(__name__)
|
||||
|
||||
def debug_print(message):
|
||||
"""调试输出"""
|
||||
print(f"[ADD] {message}", flush=True)
|
||||
logger.info(f"[ADD] {message}")
|
||||
|
||||
def parse_volume_input(volume_input: Union[str, float]) -> float:
|
||||
"""
|
||||
解析体积输入，支持带单位的字符串
|
||||
|
||||
Args:
|
||||
volume_input: 体积输入（如 "2.7 mL", "2.67 mL", "?", 10.0）
|
||||
|
||||
Returns:
|
||||
float: 体积（毫升）
|
||||
"""
|
||||
if isinstance(volume_input, (int, float)):
|
||||
debug_print(f"📏 体积输入为数值: {volume_input}")
|
||||
return float(volume_input)
|
||||
|
||||
if not volume_input or not str(volume_input).strip():
|
||||
debug_print(f"⚠️ 体积输入为空，返回0.0mL")
|
||||
return 0.0
|
||||
|
||||
volume_str = str(volume_input).lower().strip()
|
||||
debug_print(f"🔍 解析体积输入: '{volume_str}'")
|
||||
|
||||
# 处理未知体积
|
||||
if volume_str in ['?', 'unknown', 'tbd', 'to be determined']:
|
||||
default_volume = 10.0 # 默认10mL
|
||||
debug_print(f"❓ 检测到未知体积，使用默认值: {default_volume}mL 🎯")
|
||||
return default_volume
|
||||
|
||||
# 移除空格并提取数字和单位
|
||||
volume_clean = re.sub(r'\s+', '', volume_str)
|
||||
|
||||
# 匹配数字和单位的正则表达式
|
||||
match = re.match(r'([0-9]*\.?[0-9]+)\s*(ml|l|μl|ul|microliter|milliliter|liter)?', volume_clean)
|
||||
|
||||
if not match:
|
||||
debug_print(f"❌ 无法解析体积: '{volume_str}'，使用默认值10mL")
|
||||
return 10.0
|
||||
|
||||
value = float(match.group(1))
|
||||
unit = match.group(2) or 'ml' # 默认单位为毫升
|
||||
|
||||
# 转换为毫升
|
||||
if unit in ['l', 'liter']:
|
||||
volume = value * 1000.0 # L -> mL
|
||||
debug_print(f"🔄 体积转换: {value}L → {volume}mL")
|
||||
elif unit in ['μl', 'ul', 'microliter']:
|
||||
volume = value / 1000.0 # μL -> mL
|
||||
debug_print(f"🔄 体积转换: {value}μL → {volume}mL")
|
||||
else: # ml, milliliter 或默认
|
||||
volume = value # 已经是mL
|
||||
debug_print(f"✅ 体积已为mL: {volume}mL")
|
||||
|
||||
return volume
|
||||
|
||||
def parse_mass_input(mass_input: Union[str, float]) -> float:
|
||||
"""
|
||||
解析质量输入，支持带单位的字符串
|
||||
|
||||
Args:
|
||||
mass_input: 质量输入（如 "19.3 g", "4.5 g", 2.5）
|
||||
|
||||
Returns:
|
||||
float: 质量（克）
|
||||
"""
|
||||
if isinstance(mass_input, (int, float)):
|
||||
debug_print(f"⚖️ 质量输入为数值: {mass_input}g")
|
||||
return float(mass_input)
|
||||
|
||||
if not mass_input or not str(mass_input).strip():
|
||||
debug_print(f"⚠️ 质量输入为空，返回0.0g")
|
||||
return 0.0
|
||||
|
||||
mass_str = str(mass_input).lower().strip()
|
||||
debug_print(f"🔍 解析质量输入: '{mass_str}'")
|
||||
|
||||
# 移除空格并提取数字和单位
|
||||
mass_clean = re.sub(r'\s+', '', mass_str)
|
||||
|
||||
# 匹配数字和单位的正则表达式
|
||||
match = re.match(r'([0-9]*\.?[0-9]+)\s*(g|mg|kg|gram|milligram|kilogram)?', mass_clean)
|
||||
|
||||
if not match:
|
||||
debug_print(f"❌ 无法解析质量: '{mass_str}'，返回0.0g")
|
||||
return 0.0
|
||||
|
||||
value = float(match.group(1))
|
||||
unit = match.group(2) or 'g' # 默认单位为克
|
||||
|
||||
# 转换为克
|
||||
if unit in ['mg', 'milligram']:
|
||||
mass = value / 1000.0 # mg -> g
|
||||
debug_print(f"🔄 质量转换: {value}mg → {mass}g")
|
||||
elif unit in ['kg', 'kilogram']:
|
||||
mass = value * 1000.0 # kg -> g
|
||||
debug_print(f"🔄 质量转换: {value}kg → {mass}g")
|
||||
else: # g, gram 或默认
|
||||
mass = value # 已经是g
|
||||
debug_print(f"✅ 质量已为g: {mass}g")
|
||||
|
||||
return mass
|
||||
|
||||
def parse_time_input(time_input: Union[str, float]) -> float:
|
||||
"""
|
||||
解析时间输入，支持带单位的字符串
|
||||
|
||||
Args:
|
||||
time_input: 时间输入（如 "1 h", "20 min", "30 s", 60.0）
|
||||
|
||||
Returns:
|
||||
float: 时间（秒）
|
||||
"""
|
||||
if isinstance(time_input, (int, float)):
|
||||
debug_print(f"⏱️ 时间输入为数值: {time_input}秒")
|
||||
return float(time_input)
|
||||
|
||||
if not time_input or not str(time_input).strip():
|
||||
debug_print(f"⚠️ 时间输入为空，返回0秒")
|
||||
return 0.0
|
||||
|
||||
time_str = str(time_input).lower().strip()
|
||||
debug_print(f"🔍 解析时间输入: '{time_str}'")
|
||||
|
||||
# 处理未知时间
|
||||
if time_str in ['?', 'unknown', 'tbd']:
|
||||
default_time = 60.0 # 默认1分钟
|
||||
debug_print(f"❓ 检测到未知时间，使用默认值: {default_time}s (1分钟) ⏰")
|
||||
return default_time
|
||||
|
||||
# 移除空格并提取数字和单位
|
||||
time_clean = re.sub(r'\s+', '', time_str)
|
||||
|
||||
# 匹配数字和单位的正则表达式
|
||||
match = re.match(r'([0-9]*\.?[0-9]+)\s*(s|sec|second|min|minute|h|hr|hour|d|day)?', time_clean)
|
||||
|
||||
if not match:
|
||||
debug_print(f"❌ 无法解析时间: '{time_str}'，返回0s")
|
||||
return 0.0
|
||||
|
||||
value = float(match.group(1))
|
||||
unit = match.group(2) or 's' # 默认单位为秒
|
||||
|
||||
# 转换为秒
|
||||
if unit in ['min', 'minute']:
|
||||
time_sec = value * 60.0 # min -> s
|
||||
debug_print(f"🔄 时间转换: {value}分钟 → {time_sec}秒")
|
||||
elif unit in ['h', 'hr', 'hour']:
|
||||
time_sec = value * 3600.0 # h -> s
|
||||
debug_print(f"🔄 时间转换: {value}小时 → {time_sec}秒")
|
||||
elif unit in ['d', 'day']:
|
||||
time_sec = value * 86400.0 # d -> s
|
||||
debug_print(f"🔄 时间转换: {value}天 → {time_sec}秒")
|
||||
else: # s, sec, second 或默认
|
||||
time_sec = value # 已经是s
|
||||
debug_print(f"✅ 时间已为秒: {time_sec}秒")
|
||||
|
||||
return time_sec
|
||||
|
||||
def find_reagent_vessel(G: nx.DiGraph, reagent: str) -> str:
|
||||
"""增强版试剂容器查找，支持固体和液体"""
|
||||
debug_print(f"🔍 开始查找试剂 '{reagent}' 的容器...")
|
||||
|
||||
# 🔧 方法1：直接搜索 data.reagent_name 和 config.reagent
|
||||
debug_print(f"📋 方法1: 搜索reagent字段...")
|
||||
for node in G.nodes():
|
||||
node_data = G.nodes[node].get('data', {})
|
||||
node_type = G.nodes[node].get('type', '')
|
||||
config_data = G.nodes[node].get('config', {})
|
||||
|
||||
# 只搜索容器类型的节点
|
||||
if node_type == 'container':
|
||||
reagent_name = node_data.get('reagent_name', '').lower()
|
||||
config_reagent = config_data.get('reagent', '').lower()
|
||||
|
||||
# 精确匹配
|
||||
if reagent_name == reagent.lower() or config_reagent == reagent.lower():
|
||||
debug_print(f"✅ 通过reagent字段精确匹配到容器: {node} 🎯")
|
||||
return node
|
||||
|
||||
# 模糊匹配
|
||||
if (reagent.lower() in reagent_name and reagent_name) or \
|
||||
(reagent.lower() in config_reagent and config_reagent):
|
||||
debug_print(f"✅ 通过reagent字段模糊匹配到容器: {node} 🔍")
|
||||
return node
|
||||
|
||||
# 🔧 方法2：常见的容器命名规则
|
||||
debug_print(f"📋 方法2: 使用命名规则查找...")
|
||||
reagent_clean = reagent.lower().replace(' ', '_').replace('-', '_')
|
||||
possible_names = [
|
||||
reagent_clean,
|
||||
f"flask_{reagent_clean}",
|
||||
f"bottle_{reagent_clean}",
|
||||
f"vessel_{reagent_clean}",
|
||||
f"{reagent_clean}_flask",
|
||||
f"{reagent_clean}_bottle",
|
||||
f"reagent_{reagent_clean}",
|
||||
f"reagent_bottle_{reagent_clean}",
|
||||
f"solid_reagent_bottle_{reagent_clean}",
|
||||
f"reagent_bottle_1", # 通用试剂瓶
|
||||
f"reagent_bottle_2",
|
||||
f"reagent_bottle_3"
|
||||
]
|
||||
|
||||
debug_print(f"🔍 尝试的容器名称: {possible_names[:5]}... (共{len(possible_names)}个)")
|
||||
|
||||
for name in possible_names:
|
||||
if name in G.nodes():
|
||||
node_type = G.nodes[name].get('type', '')
|
||||
if node_type == 'container':
|
||||
debug_print(f"✅ 通过命名规则找到容器: {name} 📝")
|
||||
return name
|
||||
|
||||
# 🔧 方法3：节点名称模糊匹配
|
||||
debug_print(f"📋 方法3: 节点名称模糊匹配...")
|
||||
for node_id in G.nodes():
|
||||
node_data = G.nodes[node_id]
|
||||
if node_data.get('type') == 'container':
|
||||
# 检查节点名称是否包含试剂名称
|
||||
if reagent_clean in node_id.lower():
|
||||
debug_print(f"✅ 通过节点名称模糊匹配到容器: {node_id} 🔍")
|
||||
return node_id
|
||||
|
||||
# 检查液体类型匹配
|
||||
vessel_data = node_data.get('data', {})
|
||||
liquids = vessel_data.get('liquid', [])
|
||||
for liquid in liquids:
|
||||
if isinstance(liquid, dict):
|
||||
liquid_type = liquid.get('liquid_type') or liquid.get('name', '')
|
||||
if liquid_type.lower() == reagent.lower():
|
||||
debug_print(f"✅ 通过液体类型匹配到容器: {node_id} 💧")
|
||||
return node_id
|
||||
|
||||
# 🔧 方法4：使用第一个试剂瓶作为备选
|
||||
debug_print(f"📋 方法4: 查找备选试剂瓶...")
|
||||
for node_id in G.nodes():
|
||||
node_data = G.nodes[node_id]
|
||||
if (node_data.get('type') == 'container' and
|
||||
('reagent' in node_id.lower() or 'bottle' in node_id.lower())):
|
||||
debug_print(f"⚠️ 未找到专用容器，使用备选试剂瓶: {node_id} 🔄")
|
||||
return node_id
|
||||
|
||||
debug_print(f"❌ 所有方法都失败了，无法找到容器!")
|
||||
raise ValueError(f"找不到试剂 '{reagent}' 对应的容器")
|
||||
|
||||
def find_connected_stirrer(G: nx.DiGraph, vessel: str) -> str:
|
||||
"""查找连接到指定容器的搅拌器"""
|
||||
debug_print(f"🔍 查找连接到容器 '{vessel}' 的搅拌器...")
|
||||
|
||||
stirrer_nodes = []
|
||||
for node in G.nodes():
|
||||
node_class = G.nodes[node].get('class', '').lower()
|
||||
if 'stirrer' in node_class:
|
||||
stirrer_nodes.append(node)
|
||||
debug_print(f"📋 发现搅拌器: {node}")
|
||||
|
||||
debug_print(f"📊 共找到 {len(stirrer_nodes)} 个搅拌器")
|
||||
|
||||
# 查找连接到容器的搅拌器
|
||||
for stirrer in stirrer_nodes:
|
||||
if G.has_edge(stirrer, vessel) or G.has_edge(vessel, stirrer):
|
||||
debug_print(f"✅ 找到连接的搅拌器: {stirrer} 🔗")
|
||||
return stirrer
|
||||
|
||||
# 返回第一个搅拌器
|
||||
if stirrer_nodes:
|
||||
debug_print(f"⚠️ 未找到直接连接的搅拌器，使用第一个: {stirrer_nodes[0]} 🔄")
|
||||
return stirrer_nodes[0]
|
||||
|
||||
debug_print(f"❌ 未找到任何搅拌器")
|
||||
return ""
|
||||
|
||||
def find_solid_dispenser(G: nx.DiGraph) -> str:
|
||||
"""查找固体加样器"""
|
||||
debug_print(f"🔍 查找固体加样器...")
|
||||
|
||||
for node in G.nodes():
|
||||
node_class = G.nodes[node].get('class', '').lower()
|
||||
if 'solid_dispenser' in node_class or 'dispenser' in node_class:
|
||||
debug_print(f"✅ 找到固体加样器: {node} 🥄")
|
||||
return node
|
||||
|
||||
debug_print(f"❌ 未找到固体加样器")
|
||||
return ""
|
||||
|
||||
# 🆕 创建进度日志动作
|
||||
def create_action_log(message: str, emoji: str = "📝") -> Dict[str, Any]:
|
||||
"""创建一个动作日志"""
|
||||
full_message = f"{emoji} {message}"
|
||||
debug_print(full_message)
|
||||
logger.info(full_message)
|
||||
print(f"[ACTION] {full_message}", flush=True)
|
||||
|
||||
return {
|
||||
"action_name": "wait",
|
||||
"action_kwargs": {
|
||||
"time": 0.1,
|
||||
"log_message": full_message
|
||||
}
|
||||
}
|
||||
|
||||
def generate_add_protocol(
|
||||
G: nx.DiGraph,
|
||||
vessel: dict, # 🔧 修改：现在接收字典类型的 vessel
|
||||
reagent: str,
|
||||
# 🔧 修复：所有参数都用 Union 类型，支持字符串和数值
|
||||
volume: Union[str, float] = 0.0,
|
||||
mass: Union[str, float] = 0.0,
|
||||
amount: str = "",
|
||||
time: Union[str, float] = 0.0,
|
||||
stir: bool = False,
|
||||
stir_speed: float = 300.0,
|
||||
viscous: bool = False,
|
||||
purpose: str = "添加试剂",
|
||||
# XDL扩展参数
|
||||
mol: str = "",
|
||||
event: str = "",
|
||||
rate_spec: str = "",
|
||||
equiv: str = "",
|
||||
ratio: str = "",
|
||||
**kwargs
|
||||
) -> List[Dict[str, Any]]:
|
||||
"""
|
||||
生成添加试剂协议 - 修复版
|
||||
|
||||
支持所有XDL参数和单位：
|
||||
- vessel: Resource类型字典，包含id字段
|
||||
- volume: "2.7 mL", "2.67 mL", "?" 或数值
|
||||
- mass: "19.3 g", "4.5 g" 或数值
|
||||
- time: "1 h", "20 min" 或数值（秒）
|
||||
- mol: "0.28 mol", "16.2 mmol", "25.2 mmol"
|
||||
- rate_spec: "portionwise", "dropwise"
|
||||
- event: "A", "B"
|
||||
- equiv: "1.1"
|
||||
- ratio: "?", "1:1"
|
||||
"""
|
||||
|
||||
# 🔧 核心修改：从字典中提取容器ID
|
||||
# 统一处理vessel参数
|
||||
if isinstance(vessel, dict):
|
||||
if "id" not in vessel:
|
||||
vessel_id = list(vessel.values())[0].get("id", "")
|
||||
else:
|
||||
vessel_id = vessel.get("id", "")
|
||||
vessel_data = vessel.get("data", {})
|
||||
else:
|
||||
vessel_id = str(vessel)
|
||||
vessel_data = G.nodes[vessel_id].get("data", {}) if vessel_id in G.nodes() else {}
|
||||
|
||||
# 🔧 修改：更新容器的液体体积（假设有 liquid_volume 字段）
|
||||
if "data" in vessel and "liquid_volume" in vessel["data"]:
|
||||
if isinstance(vessel["data"]["liquid_volume"], list) and len(vessel["data"]["liquid_volume"]) > 0:
|
||||
vessel["data"]["liquid_volume"][0] -= parse_volume_input(volume)
|
||||
|
||||
debug_print("=" * 60)
|
||||
debug_print("🚀 开始生成添加试剂协议")
|
||||
debug_print(f"📋 原始参数:")
|
||||
debug_print(f" 🥼 vessel: {vessel} (ID: {vessel_id})")
|
||||
debug_print(f" 🧪 reagent: '{reagent}'")
|
||||
debug_print(f" 📏 volume: {volume} (类型: {type(volume)})")
|
||||
debug_print(f" ⚖️ mass: {mass} (类型: {type(mass)})")
|
||||
debug_print(f" ⏱️ time: {time} (类型: {type(time)})")
|
||||
debug_print(f" 🧬 mol: '{mol}'")
|
||||
debug_print(f" 🎯 event: '{event}'")
|
||||
debug_print(f" ⚡ rate_spec: '{rate_spec}'")
|
||||
debug_print(f" 🌪️ stir: {stir}")
|
||||
debug_print(f" 🔄 stir_speed: {stir_speed} rpm")
|
||||
debug_print("=" * 60)
|
||||
|
||||
action_sequence = []
|
||||
|
||||
# === 参数验证 ===
|
||||
debug_print("🔍 步骤1: 参数验证...")
|
||||
action_sequence.append(create_action_log(f"开始添加试剂 '{reagent}' 到容器 '{vessel_id}'", "🎬"))
|
||||
|
||||
if not vessel or not vessel_id:
|
||||
debug_print("❌ vessel 参数不能为空")
|
||||
raise ValueError("vessel 参数不能为空")
|
||||
if not reagent:
|
||||
debug_print("❌ reagent 参数不能为空")
|
||||
raise ValueError("reagent 参数不能为空")
|
||||
|
||||
if vessel_id not in G.nodes():
|
||||
debug_print(f"❌ 容器 '{vessel_id}' 不存在于系统中")
|
||||
raise ValueError(f"容器 '{vessel_id}' 不存在于系统中")
|
||||
|
||||
debug_print("✅ 基本参数验证通过")
|
||||
|
||||
# === 🔧 关键修复：参数解析 ===
|
||||
debug_print("🔍 步骤2: 参数解析...")
|
||||
action_sequence.append(create_action_log("正在解析添加参数...", "🔍"))
|
||||
|
||||
# 解析各种参数为数值
|
||||
final_volume = parse_volume_input(volume)
|
||||
final_mass = parse_mass_input(mass)
|
||||
final_time = parse_time_input(time)
|
||||
|
||||
debug_print(f"📊 解析结果:")
|
||||
debug_print(f" 📏 体积: {final_volume}mL")
|
||||
debug_print(f" ⚖️ 质量: {final_mass}g")
|
||||
debug_print(f" ⏱️ 时间: {final_time}s")
|
||||
debug_print(f" 🧬 摩尔: '{mol}'")
|
||||
debug_print(f" 🎯 事件: '{event}'")
|
||||
debug_print(f" ⚡ 速率: '{rate_spec}'")
|
||||
|
||||
# === 判断添加类型 ===
|
||||
debug_print("🔍 步骤3: 判断添加类型...")
|
||||
|
||||
# 🔧 修复：现在使用解析后的数值进行比较
|
||||
is_solid = (final_mass > 0 or (mol and mol.strip() != ""))
|
||||
is_liquid = (final_volume > 0)
|
||||
|
||||
if not is_solid and not is_liquid:
|
||||
# 默认为液体，10mL
|
||||
is_liquid = True
|
||||
final_volume = 10.0
|
||||
debug_print("⚠️ 未指定体积或质量，默认为10mL液体")
|
||||
|
||||
add_type = "固体" if is_solid else "液体"
|
||||
add_emoji = "🧂" if is_solid else "💧"
|
||||
debug_print(f"📋 添加类型: {add_type} {add_emoji}")
|
||||
|
||||
action_sequence.append(create_action_log(f"确定添加类型: {add_type} {add_emoji}", "📋"))
|
||||
|
||||
# === 执行添加流程 ===
|
||||
debug_print("🔍 步骤4: 执行添加流程...")
|
||||
|
||||
try:
|
||||
if is_solid:
|
||||
# === 固体添加路径 ===
|
||||
debug_print(f"🧂 使用固体添加路径")
|
||||
action_sequence.append(create_action_log("开始固体试剂添加流程", "🧂"))
|
||||
|
||||
solid_dispenser = find_solid_dispenser(G)
|
||||
if solid_dispenser:
|
||||
action_sequence.append(create_action_log(f"找到固体加样器: {solid_dispenser}", "🥄"))
|
||||
|
||||
# 启动搅拌
|
||||
if stir:
|
||||
debug_print("🌪️ 准备启动搅拌...")
|
||||
action_sequence.append(create_action_log("准备启动搅拌器", "🌪️"))
|
||||
|
||||
stirrer_id = find_connected_stirrer(G, vessel_id) # 🔧 使用 vessel_id
|
||||
if stirrer_id:
|
||||
action_sequence.append(create_action_log(f"启动搅拌器 {stirrer_id} (速度: {stir_speed} rpm)", "🔄"))
|
||||
|
||||
action_sequence.append({
|
||||
"device_id": stirrer_id,
|
||||
"action_name": "start_stir",
|
||||
"action_kwargs": {
|
||||
"vessel": vessel_id, # 🔧 使用 vessel_id
|
||||
"stir_speed": stir_speed,
|
||||
"purpose": f"准备添加固体 {reagent}"
|
||||
}
|
||||
})
|
||||
# 等待搅拌稳定
|
||||
action_sequence.append(create_action_log("等待搅拌稳定...", "⏳"))
|
||||
action_sequence.append({
|
||||
"action_name": "wait",
|
||||
"action_kwargs": {"time": 3}
|
||||
})
|
||||
|
||||
# 固体加样
|
||||
add_kwargs = {
|
||||
"vessel": vessel_id, # 🔧 使用 vessel_id
|
||||
"reagent": reagent,
|
||||
"purpose": purpose,
|
||||
"event": event,
|
||||
"rate_spec": rate_spec
|
||||
}
|
||||
|
||||
if final_mass > 0:
|
||||
add_kwargs["mass"] = str(final_mass)
|
||||
action_sequence.append(create_action_log(f"准备添加固体: {final_mass}g", "⚖️"))
|
||||
if mol and mol.strip():
|
||||
add_kwargs["mol"] = mol
|
||||
action_sequence.append(create_action_log(f"按摩尔数添加: {mol}", "🧬"))
|
||||
if equiv and equiv.strip():
|
||||
add_kwargs["equiv"] = equiv
|
||||
action_sequence.append(create_action_log(f"当量: {equiv}", "🔢"))
|
||||
|
||||
action_sequence.append(create_action_log("开始固体加样操作", "🥄"))
|
||||
action_sequence.append({
|
||||
"device_id": solid_dispenser,
|
||||
"action_name": "add_solid",
|
||||
"action_kwargs": add_kwargs
|
||||
})
|
||||
|
||||
action_sequence.append(create_action_log("固体加样完成", "✅"))
|
||||
|
||||
# 添加后等待
|
||||
if final_time > 0:
|
||||
wait_minutes = final_time / 60
|
||||
action_sequence.append(create_action_log(f"等待反应进行 ({wait_minutes:.1f}分钟)", "⏰"))
|
||||
action_sequence.append({
|
||||
"action_name": "wait",
|
||||
"action_kwargs": {"time": final_time}
|
||||
})
|
||||
|
||||
debug_print(f"✅ 固体添加完成")
|
||||
else:
|
||||
debug_print("❌ 未找到固体加样器，跳过固体添加")
|
||||
action_sequence.append(create_action_log("未找到固体加样器，无法添加固体", "❌"))
|
||||
|
||||
else:
|
||||
# === 液体添加路径 ===
|
||||
debug_print(f"💧 使用液体添加路径")
|
||||
action_sequence.append(create_action_log("开始液体试剂添加流程", "💧"))
|
||||
|
||||
# 查找试剂容器
|
||||
action_sequence.append(create_action_log("正在查找试剂容器...", "🔍"))
|
||||
reagent_vessel = find_reagent_vessel(G, reagent)
|
||||
action_sequence.append(create_action_log(f"找到试剂容器: {reagent_vessel}", "🧪"))
|
||||
|
||||
# 启动搅拌
|
||||
if stir:
|
||||
debug_print("🌪️ 准备启动搅拌...")
|
||||
action_sequence.append(create_action_log("准备启动搅拌器", "🌪️"))
|
||||
|
||||
stirrer_id = find_connected_stirrer(G, vessel_id) # 🔧 使用 vessel_id
|
||||
if stirrer_id:
|
||||
action_sequence.append(create_action_log(f"启动搅拌器 {stirrer_id} (速度: {stir_speed} rpm)", "🔄"))
|
||||
|
||||
action_sequence.append({
|
||||
"device_id": stirrer_id,
|
||||
"action_name": "start_stir",
|
||||
"action_kwargs": {
|
||||
"vessel": vessel_id, # 🔧 使用 vessel_id
|
||||
"stir_speed": stir_speed,
|
||||
"purpose": f"准备添加液体 {reagent}"
|
||||
}
|
||||
})
|
||||
# 等待搅拌稳定
|
||||
action_sequence.append(create_action_log("等待搅拌稳定...", "⏳"))
|
||||
action_sequence.append({
|
||||
"action_name": "wait",
|
||||
"action_kwargs": {"time": 5}
|
||||
})
|
||||
|
||||
# 计算流速
|
||||
if final_time > 0:
|
||||
flowrate = final_volume / final_time * 60 # mL/min
|
||||
transfer_flowrate = flowrate
|
||||
debug_print(f"⚡ 根据时间计算流速: {flowrate:.2f} mL/min")
|
||||
else:
|
||||
if rate_spec == "dropwise":
|
||||
flowrate = 0.5 # 滴加，很慢
|
||||
transfer_flowrate = 0.2
|
||||
debug_print(f"💧 滴加模式，流速: {flowrate} mL/min")
|
||||
elif viscous:
|
||||
flowrate = 1.0 # 粘性液体
|
||||
transfer_flowrate = 0.3
|
||||
debug_print(f"🍯 粘性液体，流速: {flowrate} mL/min")
|
||||
else:
|
||||
flowrate = 2.5 # 正常流速
|
||||
transfer_flowrate = 0.5
|
||||
debug_print(f"⚡ 正常流速: {flowrate} mL/min")
|
||||
|
||||
action_sequence.append(create_action_log(f"设置流速: {flowrate:.2f} mL/min", "⚡"))
|
||||
action_sequence.append(create_action_log(f"开始转移 {final_volume}mL 液体", "🚰"))
|
||||
|
||||
# 调用pump protocol
|
||||
pump_actions = generate_pump_protocol_with_rinsing(
|
||||
G=G,
|
||||
from_vessel=reagent_vessel,
|
||||
to_vessel=vessel_id, # 🔧 使用 vessel_id
|
||||
volume=final_volume,
|
||||
amount=amount,
|
||||
time=final_time,
|
||||
viscous=viscous,
|
||||
rinsing_solvent="",
|
||||
rinsing_volume=0.0,
|
||||
rinsing_repeats=0,
|
||||
solid=False,
|
||||
flowrate=flowrate,
|
||||
transfer_flowrate=transfer_flowrate,
|
||||
rate_spec=rate_spec,
|
||||
event=event,
|
||||
through="",
|
||||
**kwargs
|
||||
)
|
||||
action_sequence.extend(pump_actions)
|
||||
debug_print(f"✅ 液体转移完成，添加了 {len(pump_actions)} 个动作")
|
||||
action_sequence.append(create_action_log(f"液体转移完成 ({len(pump_actions)} 个操作)", "✅"))
|
||||
|
||||
except Exception as e:
|
||||
debug_print(f"❌ 试剂添加失败: {str(e)}")
|
||||
action_sequence.append(create_action_log(f"试剂添加失败: {str(e)}", "❌"))
|
||||
# 添加错误日志
|
||||
action_sequence.append({
|
||||
"device_id": "system",
|
||||
"action_name": "log_message",
|
||||
"action_kwargs": {
|
||||
"message": f"试剂 '{reagent}' 添加失败: {str(e)}"
|
||||
}
|
||||
})
|
||||
|
||||
# === 最终结果 ===
|
||||
debug_print("=" * 60)
|
||||
debug_print(f"🎉 添加试剂协议生成完成")
|
||||
debug_print(f"📊 总动作数: {len(action_sequence)}")
|
||||
debug_print(f"📋 处理总结:")
|
||||
debug_print(f" 🧪 试剂: {reagent}")
|
||||
debug_print(f" {add_emoji} 添加类型: {add_type}")
|
||||
debug_print(f" 🥼 目标容器: {vessel_id}")
|
||||
if is_liquid:
|
||||
debug_print(f" 📏 体积: {final_volume}mL")
|
||||
if is_solid:
|
||||
debug_print(f" ⚖️ 质量: {final_mass}g")
|
||||
debug_print(f" 🧬 摩尔: {mol}")
|
||||
debug_print("=" * 60)
|
||||
|
||||
# 添加完成日志
|
||||
summary_msg = f"试剂添加协议完成: {reagent} → {vessel_id}"
|
||||
if is_liquid:
|
||||
summary_msg += f" ({final_volume}mL)"
|
||||
if is_solid:
|
||||
summary_msg += f" ({final_mass}g)"
|
||||
|
||||
action_sequence.append(create_action_log(summary_msg, "🎉"))
|
||||
|
||||
return action_sequence
|
||||
|
||||
# === 便捷函数 ===
|
||||
# 🔧 修改便捷函数的参数类型
|
||||
|
||||
def add_liquid_volume(G: nx.DiGraph, vessel: dict, reagent: str, volume: Union[str, float],
|
||||
time: Union[str, float] = 0.0, rate_spec: str = "") -> List[Dict[str, Any]]:
|
||||
"""添加指定体积的液体试剂"""
|
||||
vessel_id = vessel["id"]
|
||||
debug_print(f"💧 快速添加液体: {reagent} ({volume}) → {vessel_id}")
|
||||
return generate_add_protocol(
|
||||
G, vessel, reagent,
|
||||
volume=volume,
|
||||
time=time,
|
||||
rate_spec=rate_spec
|
||||
)
|
||||
|
||||
def add_solid_mass(G: nx.DiGraph, vessel: dict, reagent: str, mass: Union[str, float],
|
||||
event: str = "") -> List[Dict[str, Any]]:
|
||||
"""添加指定质量的固体试剂"""
|
||||
vessel_id = vessel["id"]
|
||||
debug_print(f"🧂 快速添加固体: {reagent} ({mass}) → {vessel_id}")
|
||||
return generate_add_protocol(
|
||||
G, vessel, reagent,
|
||||
mass=mass,
|
||||
event=event
|
||||
)
|
||||
|
||||
def add_solid_moles(G: nx.DiGraph, vessel: dict, reagent: str, mol: str,
|
||||
event: str = "") -> List[Dict[str, Any]]:
|
||||
"""按摩尔数添加固体试剂"""
|
||||
vessel_id = vessel["id"]
|
||||
debug_print(f"🧬 按摩尔数添加固体: {reagent} ({mol}) → {vessel_id}")
|
||||
return generate_add_protocol(
|
||||
G, vessel, reagent,
|
||||
mol=mol,
|
||||
event=event
|
||||
)
|
||||
|
||||
def add_dropwise_liquid(G: nx.DiGraph, vessel: dict, reagent: str, volume: Union[str, float],
|
||||
time: Union[str, float] = "20 min", event: str = "") -> List[Dict[str, Any]]:
|
||||
"""滴加液体试剂"""
|
||||
vessel_id = vessel["id"]
|
||||
debug_print(f"💧 滴加液体: {reagent} ({volume}) → {vessel_id} (用时: {time})")
|
||||
return generate_add_protocol(
|
||||
G, vessel, reagent,
|
||||
volume=volume,
|
||||
time=time,
|
||||
rate_spec="dropwise",
|
||||
event=event
|
||||
)
|
||||
|
||||
def add_portionwise_solid(G: nx.DiGraph, vessel: dict, reagent: str, mass: Union[str, float],
|
||||
time: Union[str, float] = "1 h", event: str = "") -> List[Dict[str, Any]]:
|
||||
"""分批添加固体试剂"""
|
||||
vessel_id = vessel["id"]
|
||||
debug_print(f"🧂 分批添加固体: {reagent} ({mass}) → {vessel_id} (用时: {time})")
|
||||
return generate_add_protocol(
|
||||
G, vessel, reagent,
|
||||
mass=mass,
|
||||
time=time,
|
||||
rate_spec="portionwise",
|
||||
event=event
|
||||
)
|
||||
|
||||
# 测试函数
|
||||
def test_add_protocol():
|
||||
"""测试添加协议的各种参数解析"""
|
||||
print("=== ADD PROTOCOL 增强版测试 ===")
|
||||
|
||||
# 测试体积解析
|
||||
debug_print("🧪 测试体积解析...")
|
||||
volumes = ["2.7 mL", "2.67 mL", "?", 10.0, "1 L", "500 μL"]
|
||||
for vol in volumes:
|
||||
result = parse_volume_input(vol)
|
||||
print(f"📏 体积解析: {vol} → {result}mL")
|
||||
|
||||
# 测试质量解析
|
||||
debug_print("⚖️ 测试质量解析...")
|
||||
masses = ["19.3 g", "4.5 g", 2.5, "500 mg", "1 kg"]
|
||||
for mass in masses:
|
||||
result = parse_mass_input(mass)
|
||||
print(f"⚖️ 质量解析: {mass} → {result}g")
|
||||
|
||||
# 测试时间解析
|
||||
debug_print("⏱️ 测试时间解析...")
|
||||
times = ["1 h", "20 min", "30 s", 60.0, "?"]
|
||||
for time in times:
|
||||
result = parse_time_input(time)
|
||||
print(f"⏱️ 时间解析: {time} → {result}s")
|
||||
|
||||
print("✅ 测试完成")
|
||||
|
||||
if __name__ == "__main__":
|
||||
test_add_protocol()
|
||||
657
unilabos/compile/adjustph_protocol.py
Normal file
657
unilabos/compile/adjustph_protocol.py
Normal file
@@ -0,0 +1,657 @@
|
||||
import networkx as nx
|
||||
import logging
|
||||
from typing import List, Dict, Any, Union
|
||||
from .pump_protocol import generate_pump_protocol_with_rinsing
|
||||
|
||||
logger = logging.getLogger(__name__)
|
||||
|
||||
def debug_print(message):
|
||||
"""调试输出"""
|
||||
print(f"[ADJUST_PH] {message}", flush=True)
|
||||
logger.info(f"[ADJUST_PH] {message}")
|
||||
|
||||
# 🆕 创建进度日志动作
|
||||
def create_action_log(message: str, emoji: str = "📝") -> Dict[str, Any]:
|
||||
"""创建一个动作日志"""
|
||||
full_message = f"{emoji} {message}"
|
||||
debug_print(full_message)
|
||||
logger.info(full_message)
|
||||
print(f"[ACTION] {full_message}", flush=True)
|
||||
|
||||
return {
|
||||
"action_name": "wait",
|
||||
"action_kwargs": {
|
||||
"time": 0.1,
|
||||
"log_message": full_message
|
||||
}
|
||||
}
|
||||
|
||||
def find_acid_base_vessel(G: nx.DiGraph, reagent: str) -> str:
|
||||
"""
|
||||
查找酸碱试剂容器，支持多种匹配模式
|
||||
|
||||
Args:
|
||||
G: 网络图
|
||||
reagent: 试剂名称（如 "hydrochloric acid", "sodium hydroxide"）
|
||||
|
||||
Returns:
|
||||
str: 试剂容器ID
|
||||
"""
|
||||
debug_print(f"🔍 正在查找试剂 '{reagent}' 的容器...")
|
||||
|
||||
# 常见酸碱试剂的别名映射
|
||||
reagent_aliases = {
|
||||
"hydrochloric acid": ["HCl", "hydrochloric_acid", "hcl", "muriatic_acid"],
|
||||
"sodium hydroxide": ["NaOH", "sodium_hydroxide", "naoh", "caustic_soda"],
|
||||
"sulfuric acid": ["H2SO4", "sulfuric_acid", "h2so4"],
|
||||
"nitric acid": ["HNO3", "nitric_acid", "hno3"],
|
||||
"acetic acid": ["CH3COOH", "acetic_acid", "glacial_acetic_acid"],
|
||||
"ammonia": ["NH3", "ammonium_hydroxide", "nh3"],
|
||||
"potassium hydroxide": ["KOH", "potassium_hydroxide", "koh"]
|
||||
}
|
||||
|
||||
# 构建搜索名称列表
|
||||
search_names = [reagent.lower()]
|
||||
debug_print(f"📋 基础搜索名称: {reagent.lower()}")
|
||||
|
||||
# 添加别名
|
||||
for base_name, aliases in reagent_aliases.items():
|
||||
if reagent.lower() in base_name.lower() or base_name.lower() in reagent.lower():
|
||||
search_names.extend([alias.lower() for alias in aliases])
|
||||
debug_print(f"🔗 添加别名: {aliases}")
|
||||
break
|
||||
|
||||
debug_print(f"📝 完整搜索列表: {search_names}")
|
||||
|
||||
# 构建可能的容器名称
|
||||
possible_names = []
|
||||
for name in search_names:
|
||||
name_clean = name.replace(" ", "_").replace("-", "_")
|
||||
possible_names.extend([
|
||||
f"flask_{name_clean}",
|
||||
f"bottle_{name_clean}",
|
||||
f"reagent_{name_clean}",
|
||||
f"acid_{name_clean}" if "acid" in name else f"base_{name_clean}",
|
||||
f"{name_clean}_bottle",
|
||||
f"{name_clean}_flask",
|
||||
name_clean
|
||||
])
|
||||
|
||||
debug_print(f"🎯 可能的容器名称 (前5个): {possible_names[:5]}... (共{len(possible_names)}个)")
|
||||
|
||||
# 第一步：通过容器名称匹配
|
||||
debug_print(f"📋 方法1: 精确名称匹配...")
|
||||
for vessel_name in possible_names:
|
||||
if vessel_name in G.nodes():
|
||||
debug_print(f"✅ 通过名称匹配找到容器: {vessel_name} 🎯")
|
||||
return vessel_name
|
||||
|
||||
# 第二步：通过模糊匹配
|
||||
debug_print(f"📋 方法2: 模糊名称匹配...")
|
||||
for node_id in G.nodes():
|
||||
if G.nodes[node_id].get('type') == 'container':
|
||||
node_name = G.nodes[node_id].get('name', '').lower()
|
||||
|
||||
# 检查是否包含任何搜索名称
|
||||
for search_name in search_names:
|
||||
if search_name in node_id.lower() or search_name in node_name:
|
||||
debug_print(f"✅ 通过模糊匹配找到容器: {node_id} 🔍")
|
||||
return node_id
|
||||
|
||||
# 第三步：通过液体类型匹配
|
||||
debug_print(f"📋 方法3: 液体类型匹配...")
|
||||
for node_id in G.nodes():
|
||||
if G.nodes[node_id].get('type') == 'container':
|
||||
vessel_data = G.nodes[node_id].get('data', {})
|
||||
liquids = vessel_data.get('liquid', [])
|
||||
|
||||
for liquid in liquids:
|
||||
if isinstance(liquid, dict):
|
||||
liquid_type = (liquid.get('liquid_type') or liquid.get('name', '')).lower()
|
||||
reagent_name = vessel_data.get('reagent_name', '').lower()
|
||||
|
||||
for search_name in search_names:
|
||||
if search_name in liquid_type or search_name in reagent_name:
|
||||
debug_print(f"✅ 通过液体类型匹配找到容器: {node_id} 💧")
|
||||
return node_id
|
||||
|
||||
# 列出可用容器帮助调试
|
||||
debug_print(f"📊 列出可用容器帮助调试...")
|
||||
available_containers = []
|
||||
for node_id in G.nodes():
|
||||
if G.nodes[node_id].get('type') == 'container':
|
||||
vessel_data = G.nodes[node_id].get('data', {})
|
||||
liquids = vessel_data.get('liquid', [])
|
||||
liquid_types = [liquid.get('liquid_type', '') or liquid.get('name', '')
|
||||
for liquid in liquids if isinstance(liquid, dict)]
|
||||
|
||||
available_containers.append({
|
||||
'id': node_id,
|
||||
'name': G.nodes[node_id].get('name', ''),
|
||||
'liquids': liquid_types,
|
||||
'reagent_name': vessel_data.get('reagent_name', '')
|
||||
})
|
||||
|
||||
debug_print(f"📋 可用容器列表:")
|
||||
for container in available_containers:
|
||||
debug_print(f" - 🧪 {container['id']}: {container['name']}")
|
||||
debug_print(f" 💧 液体: {container['liquids']}")
|
||||
debug_print(f" 🏷️ 试剂: {container['reagent_name']}")
|
||||
|
||||
debug_print(f"❌ 所有匹配方法都失败了")
|
||||
raise ValueError(f"找不到试剂 '{reagent}' 对应的容器。尝试了: {possible_names[:10]}...")
|
||||
|
||||
def find_connected_stirrer(G: nx.DiGraph, vessel: str) -> str:
|
||||
"""查找与容器相连的搅拌器"""
|
||||
debug_print(f"🔍 查找连接到容器 '{vessel}' 的搅拌器...")
|
||||
|
||||
stirrer_nodes = [node for node in G.nodes()
|
||||
if (G.nodes[node].get('class') or '') == 'virtual_stirrer']
|
||||
|
||||
debug_print(f"📊 发现 {len(stirrer_nodes)} 个搅拌器: {stirrer_nodes}")
|
||||
|
||||
for stirrer in stirrer_nodes:
|
||||
if G.has_edge(stirrer, vessel) or G.has_edge(vessel, stirrer):
|
||||
debug_print(f"✅ 找到连接的搅拌器: {stirrer} 🔗")
|
||||
return stirrer
|
||||
|
||||
if stirrer_nodes:
|
||||
debug_print(f"⚠️ 未找到直接连接的搅拌器，使用第一个: {stirrer_nodes[0]} 🔄")
|
||||
return stirrer_nodes[0]
|
||||
|
||||
debug_print(f"❌ 未找到任何搅拌器")
|
||||
return None
|
||||
|
||||
def calculate_reagent_volume(target_ph_value: float, reagent: str, vessel_volume: float = 100.0) -> float:
|
||||
"""
|
||||
估算需要的试剂体积来调节pH
|
||||
|
||||
Args:
|
||||
target_ph_value: 目标pH值
|
||||
reagent: 试剂名称
|
||||
vessel_volume: 容器体积 (mL)
|
||||
|
||||
Returns:
|
||||
float: 估算的试剂体积 (mL)
|
||||
"""
|
||||
debug_print(f"🧮 计算试剂体积...")
|
||||
debug_print(f" 📍 目标pH: {target_ph_value}")
|
||||
debug_print(f" 🧪 试剂: {reagent}")
|
||||
debug_print(f" 📏 容器体积: {vessel_volume}mL")
|
||||
|
||||
# 简化的pH调节体积估算（实际应用中需要更精确的计算）
|
||||
if "acid" in reagent.lower() or "hcl" in reagent.lower():
|
||||
debug_print(f"🍋 检测到酸性试剂")
|
||||
# 酸性试剂：pH越低需要的体积越大
|
||||
if target_ph_value < 3:
|
||||
volume = vessel_volume * 0.05 # 5%
|
||||
debug_print(f" 💪 强酸性 (pH<3): 使用 5% 体积")
|
||||
elif target_ph_value < 5:
|
||||
volume = vessel_volume * 0.02 # 2%
|
||||
debug_print(f" 🔸 中酸性 (pH<5): 使用 2% 体积")
|
||||
else:
|
||||
volume = vessel_volume * 0.01 # 1%
|
||||
debug_print(f" 🔹 弱酸性 (pH≥5): 使用 1% 体积")
|
||||
|
||||
elif "hydroxide" in reagent.lower() or "naoh" in reagent.lower():
|
||||
debug_print(f"🧂 检测到碱性试剂")
|
||||
# 碱性试剂：pH越高需要的体积越大
|
||||
if target_ph_value > 11:
|
||||
volume = vessel_volume * 0.05 # 5%
|
||||
debug_print(f" 💪 强碱性 (pH>11): 使用 5% 体积")
|
||||
elif target_ph_value > 9:
|
||||
volume = vessel_volume * 0.02 # 2%
|
||||
debug_print(f" 🔸 中碱性 (pH>9): 使用 2% 体积")
|
||||
else:
|
||||
volume = vessel_volume * 0.01 # 1%
|
||||
debug_print(f" 🔹 弱碱性 (pH≤9): 使用 1% 体积")
|
||||
|
||||
else:
|
||||
# 未知试剂，使用默认值
|
||||
volume = vessel_volume * 0.01
|
||||
debug_print(f"❓ 未知试剂类型，使用默认 1% 体积")
|
||||
|
||||
debug_print(f"📊 计算结果: {volume:.2f}mL")
|
||||
return volume
|
||||
|
||||
def generate_adjust_ph_protocol(
|
||||
G: nx.DiGraph,
|
||||
vessel:Union[dict,str], # 🔧 修改：从字符串改为字典类型
|
||||
ph_value: float,
|
||||
reagent: str,
|
||||
**kwargs
|
||||
) -> List[Dict[str, Any]]:
|
||||
"""
|
||||
生成调节pH的协议序列
|
||||
|
||||
Args:
|
||||
G: 有向图，节点为容器和设备
|
||||
vessel: 目标容器字典（需要调节pH的容器）
|
||||
ph_value: 目标pH值（从XDL传入）
|
||||
reagent: 酸碱试剂名称（从XDL传入）
|
||||
**kwargs: 其他可选参数，使用默认值
|
||||
|
||||
Returns:
|
||||
List[Dict[str, Any]]: 动作序列
|
||||
"""
|
||||
|
||||
# 统一处理vessel参数
|
||||
if isinstance(vessel, dict):
|
||||
if "id" not in vessel:
|
||||
vessel_id = list(vessel.values())[0].get("id", "")
|
||||
else:
|
||||
vessel_id = vessel.get("id", "")
|
||||
vessel_data = vessel.get("data", {})
|
||||
else:
|
||||
vessel_id = str(vessel)
|
||||
vessel_data = G.nodes[vessel_id].get("data", {}) if vessel_id in G.nodes() else {}
|
||||
|
||||
if not vessel_id:
|
||||
debug_print(f"❌ vessel 参数无效，必须包含id字段或直接提供容器ID. vessel: {vessel}")
|
||||
raise ValueError("vessel 参数无效，必须包含id字段或直接提供容器ID")
|
||||
|
||||
debug_print("=" * 60)
|
||||
debug_print("🧪 开始生成pH调节协议")
|
||||
debug_print(f"📋 原始参数:")
|
||||
debug_print(f" 🥼 vessel: {vessel} (ID: {vessel_id})")
|
||||
debug_print(f" 📊 ph_value: {ph_value}")
|
||||
debug_print(f" 🧪 reagent: '{reagent}'")
|
||||
debug_print(f" 📦 kwargs: {kwargs}")
|
||||
debug_print("=" * 60)
|
||||
|
||||
action_sequence = []
|
||||
|
||||
# 从kwargs中获取可选参数，如果没有则使用默认值
|
||||
volume = kwargs.get('volume', 0.0) # 自动估算体积
|
||||
stir = kwargs.get('stir', True) # 默认搅拌
|
||||
stir_speed = kwargs.get('stir_speed', 300.0) # 默认搅拌速度
|
||||
stir_time = kwargs.get('stir_time', 60.0) # 默认搅拌时间
|
||||
settling_time = kwargs.get('settling_time', 30.0) # 默认平衡时间
|
||||
|
||||
debug_print(f"🔧 处理后的参数:")
|
||||
debug_print(f" 📏 volume: {volume}mL (0.0表示自动估算)")
|
||||
debug_print(f" 🌪️ stir: {stir}")
|
||||
debug_print(f" 🔄 stir_speed: {stir_speed}rpm")
|
||||
debug_print(f" ⏱️ stir_time: {stir_time}s")
|
||||
debug_print(f" ⏳ settling_time: {settling_time}s")
|
||||
|
||||
# 开始处理
|
||||
action_sequence.append(create_action_log(f"开始调节pH至 {ph_value}", "🧪"))
|
||||
action_sequence.append(create_action_log(f"目标容器: {vessel_id}", "🥼"))
|
||||
action_sequence.append(create_action_log(f"使用试剂: {reagent}", "⚗️"))
|
||||
|
||||
# 1. 验证目标容器存在
|
||||
debug_print(f"🔍 步骤1: 验证目标容器...")
|
||||
if vessel_id not in G.nodes():
|
||||
debug_print(f"❌ 目标容器 '{vessel_id}' 不存在于系统中")
|
||||
raise ValueError(f"目标容器 '{vessel_id}' 不存在于系统中")
|
||||
|
||||
debug_print(f"✅ 目标容器验证通过")
|
||||
action_sequence.append(create_action_log("目标容器验证通过", "✅"))
|
||||
|
||||
# 2. 查找酸碱试剂容器
|
||||
debug_print(f"🔍 步骤2: 查找试剂容器...")
|
||||
action_sequence.append(create_action_log("正在查找试剂容器...", "🔍"))
|
||||
|
||||
try:
|
||||
reagent_vessel = find_acid_base_vessel(G, reagent)
|
||||
debug_print(f"✅ 找到试剂容器: {reagent_vessel}")
|
||||
action_sequence.append(create_action_log(f"找到试剂容器: {reagent_vessel}", "🧪"))
|
||||
except ValueError as e:
|
||||
debug_print(f"❌ 无法找到试剂容器: {str(e)}")
|
||||
action_sequence.append(create_action_log(f"试剂容器查找失败: {str(e)}", "❌"))
|
||||
raise ValueError(f"无法找到试剂 '{reagent}': {str(e)}")
|
||||
|
||||
# 3. 体积估算
|
||||
debug_print(f"🔍 步骤3: 体积处理...")
|
||||
if volume <= 0:
|
||||
action_sequence.append(create_action_log("开始自动估算试剂体积", "🧮"))
|
||||
|
||||
# 获取目标容器的体积信息
|
||||
vessel_data = G.nodes[vessel_id].get('data', {})
|
||||
vessel_volume = vessel_data.get('max_volume', 100.0) # 默认100mL
|
||||
debug_print(f"📏 容器最大体积: {vessel_volume}mL")
|
||||
|
||||
estimated_volume = calculate_reagent_volume(ph_value, reagent, vessel_volume)
|
||||
volume = estimated_volume
|
||||
debug_print(f"✅ 自动估算试剂体积: {volume:.2f} mL")
|
||||
action_sequence.append(create_action_log(f"估算试剂体积: {volume:.2f}mL", "📊"))
|
||||
else:
|
||||
debug_print(f"📏 使用指定体积: {volume}mL")
|
||||
action_sequence.append(create_action_log(f"使用指定体积: {volume}mL", "📏"))
|
||||
|
||||
# 4. 验证路径存在
|
||||
debug_print(f"🔍 步骤4: 路径验证...")
|
||||
action_sequence.append(create_action_log("验证转移路径...", "🛤️"))
|
||||
|
||||
try:
|
||||
path = nx.shortest_path(G, source=reagent_vessel, target=vessel_id)
|
||||
debug_print(f"✅ 找到路径: {' → '.join(path)}")
|
||||
action_sequence.append(create_action_log(f"找到转移路径: {' → '.join(path)}", "🛤️"))
|
||||
except nx.NetworkXNoPath:
|
||||
debug_print(f"❌ 无法找到转移路径")
|
||||
action_sequence.append(create_action_log("转移路径不存在", "❌"))
|
||||
raise ValueError(f"从试剂容器 '{reagent_vessel}' 到目标容器 '{vessel_id}' 没有可用路径")
|
||||
|
||||
# 5. 搅拌器设置
|
||||
debug_print(f"🔍 步骤5: 搅拌器设置...")
|
||||
stirrer_id = None
|
||||
if stir:
|
||||
action_sequence.append(create_action_log("准备启动搅拌器", "🌪️"))
|
||||
|
||||
try:
|
||||
stirrer_id = find_connected_stirrer(G, vessel_id)
|
||||
|
||||
if stirrer_id:
|
||||
debug_print(f"✅ 找到搅拌器 {stirrer_id}，启动搅拌")
|
||||
action_sequence.append(create_action_log(f"启动搅拌器 {stirrer_id} (速度: {stir_speed}rpm)", "🔄"))
|
||||
|
||||
action_sequence.append({
|
||||
"device_id": stirrer_id,
|
||||
"action_name": "start_stir",
|
||||
"action_kwargs": {
|
||||
"vessel": vessel_id,
|
||||
"stir_speed": stir_speed,
|
||||
"purpose": f"pH调节: 启动搅拌，准备添加 {reagent}"
|
||||
}
|
||||
})
|
||||
|
||||
# 等待搅拌稳定
|
||||
action_sequence.append(create_action_log("等待搅拌稳定...", "⏳"))
|
||||
action_sequence.append({
|
||||
"action_name": "wait",
|
||||
"action_kwargs": {"time": 5}
|
||||
})
|
||||
else:
|
||||
debug_print(f"⚠️ 未找到搅拌器，继续执行")
|
||||
action_sequence.append(create_action_log("未找到搅拌器，跳过搅拌", "⚠️"))
|
||||
|
||||
except Exception as e:
|
||||
debug_print(f"❌ 搅拌器配置出错: {str(e)}")
|
||||
action_sequence.append(create_action_log(f"搅拌器配置失败: {str(e)}", "❌"))
|
||||
else:
|
||||
debug_print(f"📋 跳过搅拌设置")
|
||||
action_sequence.append(create_action_log("跳过搅拌设置", "⏭️"))
|
||||
|
||||
# 6. 试剂添加
|
||||
debug_print(f"🔍 步骤6: 试剂添加...")
|
||||
action_sequence.append(create_action_log(f"开始添加试剂 {volume:.2f}mL", "🚰"))
|
||||
|
||||
# 计算添加时间（pH调节需要缓慢添加）
|
||||
addition_time = max(30.0, volume * 2.0) # 至少30秒，每mL需要2秒
|
||||
debug_print(f"⏱️ 计算添加时间: {addition_time}s (缓慢注入)")
|
||||
action_sequence.append(create_action_log(f"设置添加时间: {addition_time:.0f}s (缓慢注入)", "⏱️"))
|
||||
|
||||
try:
|
||||
action_sequence.append(create_action_log("调用泵协议进行试剂转移", "🔄"))
|
||||
|
||||
pump_actions = generate_pump_protocol_with_rinsing(
|
||||
G=G,
|
||||
from_vessel=reagent_vessel,
|
||||
to_vessel=vessel_id,
|
||||
volume=volume,
|
||||
amount="",
|
||||
time=addition_time,
|
||||
viscous=False,
|
||||
rinsing_solvent="", # pH调节不需要清洗
|
||||
rinsing_volume=0.0,
|
||||
rinsing_repeats=0,
|
||||
solid=False,
|
||||
flowrate=0.5, # 缓慢注入
|
||||
transfer_flowrate=0.3
|
||||
)
|
||||
|
||||
action_sequence.extend(pump_actions)
|
||||
debug_print(f"✅ 泵协议生成完成，添加了 {len(pump_actions)} 个动作")
|
||||
action_sequence.append(create_action_log(f"试剂转移完成 ({len(pump_actions)} 个操作)", "✅"))
|
||||
|
||||
# 🔧 修复体积运算 - 试剂添加成功后更新容器液体体积
|
||||
debug_print(f"🔧 更新容器液体体积...")
|
||||
if "data" in vessel and "liquid_volume" in vessel["data"]:
|
||||
current_volume = vessel["data"]["liquid_volume"]
|
||||
debug_print(f"📊 添加前容器体积: {current_volume}")
|
||||
|
||||
# 处理不同的体积数据格式
|
||||
if isinstance(current_volume, list):
|
||||
if len(current_volume) > 0:
|
||||
# 增加体积（添加试剂）
|
||||
vessel["data"]["liquid_volume"][0] += volume
|
||||
debug_print(f"📊 添加后容器体积: {vessel['data']['liquid_volume'][0]:.2f}mL (+{volume:.2f}mL)")
|
||||
else:
|
||||
# 如果列表为空，创建新的体积记录
|
||||
vessel["data"]["liquid_volume"] = [volume]
|
||||
debug_print(f"📊 初始化容器体积: {volume:.2f}mL")
|
||||
elif isinstance(current_volume, (int, float)):
|
||||
# 直接数值类型
|
||||
vessel["data"]["liquid_volume"] += volume
|
||||
debug_print(f"📊 添加后容器体积: {vessel['data']['liquid_volume']:.2f}mL (+{volume:.2f}mL)")
|
||||
else:
|
||||
debug_print(f"⚠️ 未知的体积数据格式: {type(current_volume)}")
|
||||
# 创建新的体积记录
|
||||
vessel["data"]["liquid_volume"] = volume
|
||||
else:
|
||||
debug_print(f"📊 容器无液体体积数据，创建新记录: {volume:.2f}mL")
|
||||
# 确保vessel有data字段
|
||||
if "data" not in vessel:
|
||||
vessel["data"] = {}
|
||||
vessel["data"]["liquid_volume"] = volume
|
||||
|
||||
# 🔧 同时更新图中的容器数据
|
||||
if vessel_id in G.nodes():
|
||||
vessel_node_data = G.nodes[vessel_id].get('data', {})
|
||||
current_node_volume = vessel_node_data.get('liquid_volume', 0.0)
|
||||
|
||||
if isinstance(current_node_volume, list):
|
||||
if len(current_node_volume) > 0:
|
||||
G.nodes[vessel_id]['data']['liquid_volume'][0] += volume
|
||||
else:
|
||||
G.nodes[vessel_id]['data']['liquid_volume'] = [volume]
|
||||
else:
|
||||
G.nodes[vessel_id]['data']['liquid_volume'] = current_node_volume + volume
|
||||
|
||||
debug_print(f"✅ 图节点体积数据已更新")
|
||||
|
||||
action_sequence.append(create_action_log(f"容器体积已更新 (+{volume:.2f}mL)", "📊"))
|
||||
|
||||
except Exception as e:
|
||||
debug_print(f"❌ 生成泵协议时出错: {str(e)}")
|
||||
action_sequence.append(create_action_log(f"泵协议生成失败: {str(e)}", "❌"))
|
||||
raise ValueError(f"生成泵协议时出错: {str(e)}")
|
||||
|
||||
# 7. 混合搅拌
|
||||
if stir and stirrer_id:
|
||||
debug_print(f"🔍 步骤7: 混合搅拌...")
|
||||
action_sequence.append(create_action_log(f"开始混合搅拌 {stir_time:.0f}s", "🌀"))
|
||||
|
||||
action_sequence.append({
|
||||
"device_id": stirrer_id,
|
||||
"action_name": "stir",
|
||||
"action_kwargs": {
|
||||
"stir_time": stir_time,
|
||||
"stir_speed": stir_speed,
|
||||
"settling_time": settling_time,
|
||||
"purpose": f"pH调节: 混合试剂，目标pH={ph_value}"
|
||||
}
|
||||
})
|
||||
|
||||
debug_print(f"✅ 混合搅拌设置完成")
|
||||
else:
|
||||
debug_print(f"⏭️ 跳过混合搅拌")
|
||||
action_sequence.append(create_action_log("跳过混合搅拌", "⏭️"))
|
||||
|
||||
# 8. 等待平衡
|
||||
debug_print(f"🔍 步骤8: 反应平衡...")
|
||||
action_sequence.append(create_action_log(f"等待pH平衡 {settling_time:.0f}s", "⚖️"))
|
||||
|
||||
action_sequence.append({
|
||||
"action_name": "wait",
|
||||
"action_kwargs": {
|
||||
"time": settling_time,
|
||||
"description": f"等待pH平衡到目标值 {ph_value}"
|
||||
}
|
||||
})
|
||||
|
||||
# 9. 完成总结
|
||||
total_time = addition_time + stir_time + settling_time
|
||||
|
||||
debug_print("=" * 60)
|
||||
debug_print(f"🎉 pH调节协议生成完成")
|
||||
debug_print(f"📊 协议统计:")
|
||||
debug_print(f" 📋 总动作数: {len(action_sequence)}")
|
||||
debug_print(f" ⏱️ 预计总时间: {total_time:.0f}s ({total_time/60:.1f}分钟)")
|
||||
debug_print(f" 🧪 试剂: {reagent}")
|
||||
debug_print(f" 📏 体积: {volume:.2f}mL")
|
||||
debug_print(f" 📊 目标pH: {ph_value}")
|
||||
debug_print(f" 🥼 目标容器: {vessel_id}")
|
||||
debug_print("=" * 60)
|
||||
|
||||
# 添加完成日志
|
||||
summary_msg = f"pH调节协议完成: {vessel_id} → pH {ph_value} (使用 {volume:.2f}mL {reagent})"
|
||||
action_sequence.append(create_action_log(summary_msg, "🎉"))
|
||||
|
||||
return action_sequence
|
||||
|
||||
def generate_adjust_ph_protocol_stepwise(
|
||||
G: nx.DiGraph,
|
||||
vessel: dict, # 🔧 修改：从字符串改为字典类型
|
||||
ph_value: float,
|
||||
reagent: str,
|
||||
max_volume: float = 10.0,
|
||||
steps: int = 3
|
||||
) -> List[Dict[str, Any]]:
|
||||
"""
|
||||
分步调节pH的协议（更安全，避免过度调节）
|
||||
|
||||
Args:
|
||||
G: 网络图
|
||||
vessel: 目标容器字典
|
||||
ph_value: 目标pH值
|
||||
reagent: 酸碱试剂
|
||||
max_volume: 最大试剂体积
|
||||
steps: 分步数量
|
||||
|
||||
Returns:
|
||||
List[Dict[str, Any]]: 动作序列
|
||||
"""
|
||||
# 🔧 核心修改：从字典中提取容器ID
|
||||
vessel_id = vessel["id"]
|
||||
|
||||
debug_print("=" * 60)
|
||||
debug_print(f"🔄 开始分步pH调节")
|
||||
debug_print(f"📋 分步参数:")
|
||||
debug_print(f" 🥼 vessel: {vessel} (ID: {vessel_id})")
|
||||
debug_print(f" 📊 ph_value: {ph_value}")
|
||||
debug_print(f" 🧪 reagent: {reagent}")
|
||||
debug_print(f" 📏 max_volume: {max_volume}mL")
|
||||
debug_print(f" 🔢 steps: {steps}")
|
||||
debug_print("=" * 60)
|
||||
|
||||
action_sequence = []
|
||||
|
||||
# 每步添加的体积
|
||||
step_volume = max_volume / steps
|
||||
debug_print(f"📊 每步体积: {step_volume:.2f}mL")
|
||||
|
||||
action_sequence.append(create_action_log(f"开始分步pH调节 ({steps}步)", "🔄"))
|
||||
action_sequence.append(create_action_log(f"每步添加: {step_volume:.2f}mL", "📏"))
|
||||
|
||||
for i in range(steps):
|
||||
debug_print(f"🔄 执行第 {i+1}/{steps} 步，添加 {step_volume:.2f}mL")
|
||||
action_sequence.append(create_action_log(f"第 {i+1}/{steps} 步开始", "🚀"))
|
||||
|
||||
# 生成单步协议
|
||||
step_actions = generate_adjust_ph_protocol(
|
||||
G=G,
|
||||
vessel=vessel, # 🔧 直接传递vessel字典
|
||||
ph_value=ph_value,
|
||||
reagent=reagent,
|
||||
volume=step_volume,
|
||||
stir=True,
|
||||
stir_speed=300.0,
|
||||
stir_time=30.0,
|
||||
settling_time=20.0
|
||||
)
|
||||
|
||||
action_sequence.extend(step_actions)
|
||||
debug_print(f"✅ 第 {i+1}/{steps} 步完成，添加了 {len(step_actions)} 个动作")
|
||||
action_sequence.append(create_action_log(f"第 {i+1}/{steps} 步完成", "✅"))
|
||||
|
||||
# 步骤间等待
|
||||
if i < steps - 1:
|
||||
debug_print(f"⏳ 步骤间等待30s")
|
||||
action_sequence.append(create_action_log("步骤间等待...", "⏳"))
|
||||
action_sequence.append({
|
||||
"action_name": "wait",
|
||||
"action_kwargs": {
|
||||
"time": 30,
|
||||
"description": f"pH调节第{i+1}步完成，等待下一步"
|
||||
}
|
||||
})
|
||||
|
||||
debug_print(f"🎉 分步pH调节完成，共 {len(action_sequence)} 个动作")
|
||||
action_sequence.append(create_action_log("分步pH调节全部完成", "🎉"))
|
||||
|
||||
return action_sequence
|
||||
|
||||
# 便捷函数：常用pH调节
|
||||
def generate_acidify_protocol(
|
||||
G: nx.DiGraph,
|
||||
vessel: dict, # 🔧 修改：从字符串改为字典类型
|
||||
target_ph: float = 2.0,
|
||||
acid: str = "hydrochloric acid"
|
||||
) -> List[Dict[str, Any]]:
|
||||
"""酸化协议"""
|
||||
vessel_id = vessel["id"]
|
||||
debug_print(f"🍋 生成酸化协议: {vessel_id} → pH {target_ph} (使用 {acid})")
|
||||
return generate_adjust_ph_protocol(
|
||||
G, vessel, target_ph, acid
|
||||
)
|
||||
|
||||
def generate_basify_protocol(
|
||||
G: nx.DiGraph,
|
||||
vessel: dict, # 🔧 修改：从字符串改为字典类型
|
||||
target_ph: float = 12.0,
|
||||
base: str = "sodium hydroxide"
|
||||
) -> List[Dict[str, Any]]:
|
||||
"""碱化协议"""
|
||||
vessel_id = vessel["id"]
|
||||
debug_print(f"🧂 生成碱化协议: {vessel_id} → pH {target_ph} (使用 {base})")
|
||||
return generate_adjust_ph_protocol(
|
||||
G, vessel, target_ph, base
|
||||
)
|
||||
|
||||
def generate_neutralize_protocol(
|
||||
G: nx.DiGraph,
|
||||
vessel: dict, # 🔧 修改：从字符串改为字典类型
|
||||
reagent: str = "sodium hydroxide"
|
||||
) -> List[Dict[str, Any]]:
|
||||
"""中和协议（pH=7）"""
|
||||
vessel_id = vessel["id"]
|
||||
debug_print(f"⚖️ 生成中和协议: {vessel_id} → pH 7.0 (使用 {reagent})")
|
||||
return generate_adjust_ph_protocol(
|
||||
G, vessel, 7.0, reagent
|
||||
)
|
||||
|
||||
# 测试函数
|
||||
def test_adjust_ph_protocol():
|
||||
"""测试pH调节协议"""
|
||||
debug_print("=== ADJUST PH PROTOCOL 增强版测试 ===")
|
||||
|
||||
# 测试体积计算
|
||||
debug_print("🧮 测试体积计算...")
|
||||
test_cases = [
|
||||
(2.0, "hydrochloric acid", 100.0),
|
||||
(4.0, "hydrochloric acid", 100.0),
|
||||
(12.0, "sodium hydroxide", 100.0),
|
||||
(10.0, "sodium hydroxide", 100.0),
|
||||
(7.0, "unknown reagent", 100.0)
|
||||
]
|
||||
|
||||
for ph, reagent, volume in test_cases:
|
||||
result = calculate_reagent_volume(ph, reagent, volume)
|
||||
debug_print(f"📊 {reagent} → pH {ph}: {result:.2f}mL")
|
||||
|
||||
debug_print("✅ 测试完成")
|
||||
|
||||
if __name__ == "__main__":
|
||||
test_adjust_ph_protocol()
|
||||
285
unilabos/compile/centrifuge_protocol.py
Normal file
285
unilabos/compile/centrifuge_protocol.py
Normal file
@@ -0,0 +1,285 @@
|
||||
from typing import List, Dict, Any
|
||||
import networkx as nx
|
||||
from .pump_protocol import generate_pump_protocol
|
||||
|
||||
|
||||
def get_vessel_liquid_volume(G: nx.DiGraph, vessel: str) -> float:
|
||||
"""
|
||||
获取容器中的液体体积
|
||||
"""
|
||||
if vessel not in G.nodes():
|
||||
return 0.0
|
||||
|
||||
vessel_data = G.nodes[vessel].get('data', {})
|
||||
liquids = vessel_data.get('liquid', [])
|
||||
|
||||
total_volume = 0.0
|
||||
for liquid in liquids:
|
||||
if isinstance(liquid, dict) and 'liquid_volume' in liquid:
|
||||
total_volume += liquid['liquid_volume']
|
||||
|
||||
return total_volume
|
||||
|
||||
|
||||
def find_centrifuge_device(G: nx.DiGraph) -> str:
|
||||
"""
|
||||
查找离心机设备
|
||||
"""
|
||||
centrifuge_nodes = [node for node in G.nodes()
|
||||
if (G.nodes[node].get('class') or '') == 'virtual_centrifuge']
|
||||
|
||||
if centrifuge_nodes:
|
||||
return centrifuge_nodes[0]
|
||||
|
||||
raise ValueError("系统中未找到离心机设备")
|
||||
|
||||
|
||||
def find_centrifuge_vessel(G: nx.DiGraph) -> str:
|
||||
"""
|
||||
查找离心机专用容器
|
||||
"""
|
||||
possible_names = [
|
||||
"centrifuge_tube",
|
||||
"centrifuge_vessel",
|
||||
"tube_centrifuge",
|
||||
"vessel_centrifuge",
|
||||
"centrifuge",
|
||||
"tube_15ml",
|
||||
"tube_50ml"
|
||||
]
|
||||
|
||||
for vessel_name in possible_names:
|
||||
if vessel_name in G.nodes():
|
||||
return vessel_name
|
||||
|
||||
raise ValueError(f"未找到离心机容器。尝试了以下名称: {possible_names}")
|
||||
|
||||
|
||||
def generate_centrifuge_protocol(
|
||||
G: nx.DiGraph,
|
||||
vessel: str,
|
||||
speed: float,
|
||||
time: float,
|
||||
temp: float = 25.0
|
||||
) -> List[Dict[str, Any]]:
|
||||
"""
|
||||
生成离心操作的协议序列，复用 pump_protocol 的成熟算法
|
||||
|
||||
离心流程：
|
||||
1. 液体转移：将待离心溶液从源容器转移到离心机容器
|
||||
2. 离心操作：执行离心分离
|
||||
3. 上清液转移：将离心后的上清液转移回原容器或新容器
|
||||
4. 沉淀处理：处理离心沉淀（可选）
|
||||
|
||||
Args:
|
||||
G: 有向图，节点为设备和容器，边为流体管道
|
||||
vessel: 包含待离心溶液的容器名称
|
||||
speed: 离心速度 (rpm)
|
||||
time: 离心时间 (秒)
|
||||
temp: 离心温度 (°C)，默认25°C
|
||||
|
||||
Returns:
|
||||
List[Dict[str, Any]]: 离心操作的动作序列
|
||||
|
||||
Raises:
|
||||
ValueError: 当找不到必要的设备时抛出异常
|
||||
|
||||
Examples:
|
||||
centrifuge_actions = generate_centrifuge_protocol(G, "reaction_mixture", 5000, 600, 4.0)
|
||||
"""
|
||||
action_sequence = []
|
||||
|
||||
print(f"CENTRIFUGE: 开始生成离心协议")
|
||||
print(f" - 源容器: {vessel}")
|
||||
print(f" - 离心速度: {speed} rpm")
|
||||
print(f" - 离心时间: {time}s ({time/60:.1f}分钟)")
|
||||
print(f" - 离心温度: {temp}°C")
|
||||
|
||||
# 验证源容器存在
|
||||
if vessel not in G.nodes():
|
||||
raise ValueError(f"源容器 '{vessel}' 不存在于系统中")
|
||||
|
||||
# 获取源容器中的液体体积
|
||||
source_volume = get_vessel_liquid_volume(G, vessel)
|
||||
print(f"CENTRIFUGE: 源容器 {vessel} 中有 {source_volume} mL 液体")
|
||||
|
||||
# 查找离心机设备
|
||||
try:
|
||||
centrifuge_id = find_centrifuge_device(G)
|
||||
print(f"CENTRIFUGE: 找到离心机: {centrifuge_id}")
|
||||
except ValueError as e:
|
||||
raise ValueError(f"无法找到离心机: {str(e)}")
|
||||
|
||||
# 查找离心机容器
|
||||
try:
|
||||
centrifuge_vessel = find_centrifuge_vessel(G)
|
||||
print(f"CENTRIFUGE: 找到离心机容器: {centrifuge_vessel}")
|
||||
except ValueError as e:
|
||||
raise ValueError(f"无法找到离心机容器: {str(e)}")
|
||||
|
||||
# === 简化的体积计算策略 ===
|
||||
if source_volume > 0:
|
||||
# 如果能检测到液体体积，使用实际体积的大部分
|
||||
transfer_volume = min(source_volume * 0.9, 15.0) # 90%或最多15mL（离心管通常较小）
|
||||
print(f"CENTRIFUGE: 检测到液体体积，将转移 {transfer_volume} mL")
|
||||
else:
|
||||
# 如果检测不到液体体积，默认转移标准量
|
||||
transfer_volume = 10.0 # 标准离心管体积
|
||||
print(f"CENTRIFUGE: 未检测到液体体积，默认转移 {transfer_volume} mL")
|
||||
|
||||
# === 第一步：将待离心溶液转移到离心机容器 ===
|
||||
print(f"CENTRIFUGE: 将 {transfer_volume} mL 溶液从 {vessel} 转移到 {centrifuge_vessel}")
|
||||
try:
|
||||
# 使用成熟的 pump_protocol 算法进行液体转移
|
||||
transfer_to_centrifuge_actions = generate_pump_protocol(
|
||||
G=G,
|
||||
from_vessel=vessel,
|
||||
to_vessel=centrifuge_vessel,
|
||||
volume=transfer_volume,
|
||||
flowrate=1.0, # 离心转移用慢速，避免气泡
|
||||
transfer_flowrate=1.0
|
||||
)
|
||||
action_sequence.extend(transfer_to_centrifuge_actions)
|
||||
except Exception as e:
|
||||
raise ValueError(f"无法将溶液转移到离心机: {str(e)}")
|
||||
|
||||
# 转移后等待
|
||||
wait_action = {
|
||||
"action_name": "wait",
|
||||
"action_kwargs": {"time": 5}
|
||||
}
|
||||
action_sequence.append(wait_action)
|
||||
|
||||
# === 第二步：执行离心操作 ===
|
||||
print(f"CENTRIFUGE: 执行离心操作")
|
||||
centrifuge_action = {
|
||||
"device_id": centrifuge_id,
|
||||
"action_name": "centrifuge",
|
||||
"action_kwargs": {
|
||||
"vessel": centrifuge_vessel,
|
||||
"speed": speed,
|
||||
"time": time,
|
||||
"temp": temp
|
||||
}
|
||||
}
|
||||
action_sequence.append(centrifuge_action)
|
||||
|
||||
# 离心后等待系统稳定
|
||||
wait_action = {
|
||||
"action_name": "wait",
|
||||
"action_kwargs": {"time": 10} # 离心后等待稍长，让沉淀稳定
|
||||
}
|
||||
action_sequence.append(wait_action)
|
||||
|
||||
# === 第三步：将上清液转移回原容器 ===
|
||||
print(f"CENTRIFUGE: 将上清液从离心机转移回 {vessel}")
|
||||
try:
|
||||
# 估算上清液体积（约为转移体积的80% - 假设20%成为沉淀）
|
||||
supernatant_volume = transfer_volume * 0.8
|
||||
print(f"CENTRIFUGE: 预计上清液体积 {supernatant_volume} mL")
|
||||
|
||||
transfer_back_actions = generate_pump_protocol(
|
||||
G=G,
|
||||
from_vessel=centrifuge_vessel,
|
||||
to_vessel=vessel,
|
||||
volume=supernatant_volume,
|
||||
flowrate=0.5, # 上清液转移更慢，避免扰动沉淀
|
||||
transfer_flowrate=0.5
|
||||
)
|
||||
action_sequence.extend(transfer_back_actions)
|
||||
except Exception as e:
|
||||
print(f"CENTRIFUGE: 将上清液转移回容器失败: {str(e)}")
|
||||
|
||||
# === 第四步：清洗离心机容器 ===
|
||||
print(f"CENTRIFUGE: 清洗离心机容器")
|
||||
try:
|
||||
# 查找清洗溶剂
|
||||
cleaning_solvent = None
|
||||
for solvent in ["flask_water", "flask_ethanol", "flask_acetone"]:
|
||||
if solvent in G.nodes():
|
||||
cleaning_solvent = solvent
|
||||
break
|
||||
|
||||
if cleaning_solvent:
|
||||
# 用少量溶剂清洗离心管
|
||||
cleaning_volume = 5.0 # 5mL清洗
|
||||
print(f"CENTRIFUGE: 用 {cleaning_volume} mL {cleaning_solvent} 清洗")
|
||||
|
||||
# 清洗溶剂加入
|
||||
cleaning_actions = generate_pump_protocol(
|
||||
G=G,
|
||||
from_vessel=cleaning_solvent,
|
||||
to_vessel=centrifuge_vessel,
|
||||
volume=cleaning_volume,
|
||||
flowrate=2.0,
|
||||
transfer_flowrate=2.0
|
||||
)
|
||||
action_sequence.extend(cleaning_actions)
|
||||
|
||||
# 将清洗液转移到废液
|
||||
if "waste_workup" in G.nodes():
|
||||
waste_actions = generate_pump_protocol(
|
||||
G=G,
|
||||
from_vessel=centrifuge_vessel,
|
||||
to_vessel="waste_workup",
|
||||
volume=cleaning_volume,
|
||||
flowrate=2.0,
|
||||
transfer_flowrate=2.0
|
||||
)
|
||||
action_sequence.extend(waste_actions)
|
||||
|
||||
except Exception as e:
|
||||
print(f"CENTRIFUGE: 清洗步骤失败: {str(e)}")
|
||||
|
||||
print(f"CENTRIFUGE: 生成了 {len(action_sequence)} 个动作")
|
||||
print(f"CENTRIFUGE: 离心协议生成完成")
|
||||
print(f"CENTRIFUGE: 总处理体积: {transfer_volume} mL")
|
||||
|
||||
return action_sequence
|
||||
|
||||
|
||||
# 便捷函数：常用离心方案
|
||||
def generate_low_speed_centrifuge_protocol(
|
||||
G: nx.DiGraph,
|
||||
vessel: str,
|
||||
time: float = 300.0 # 5分钟
|
||||
) -> List[Dict[str, Any]]:
|
||||
"""低速离心：细胞分离或大颗粒沉淀"""
|
||||
return generate_centrifuge_protocol(G, vessel, 1000.0, time, 4.0)
|
||||
|
||||
|
||||
def generate_high_speed_centrifuge_protocol(
|
||||
G: nx.DiGraph,
|
||||
vessel: str,
|
||||
time: float = 600.0 # 10分钟
|
||||
) -> List[Dict[str, Any]]:
|
||||
"""高速离心：蛋白质沉淀或小颗粒分离"""
|
||||
return generate_centrifuge_protocol(G, vessel, 12000.0, time, 4.0)
|
||||
|
||||
|
||||
def generate_standard_centrifuge_protocol(
|
||||
G: nx.DiGraph,
|
||||
vessel: str,
|
||||
time: float = 600.0 # 10分钟
|
||||
) -> List[Dict[str, Any]]:
|
||||
"""标准离心：常规样品处理"""
|
||||
return generate_centrifuge_protocol(G, vessel, 5000.0, time, 25.0)
|
||||
|
||||
|
||||
def generate_cold_centrifuge_protocol(
|
||||
G: nx.DiGraph,
|
||||
vessel: str,
|
||||
speed: float = 5000.0,
|
||||
time: float = 600.0
|
||||
) -> List[Dict[str, Any]]:
|
||||
"""冷冻离心：热敏感样品处理"""
|
||||
return generate_centrifuge_protocol(G, vessel, speed, time, 4.0)
|
||||
|
||||
|
||||
def generate_ultra_centrifuge_protocol(
|
||||
G: nx.DiGraph,
|
||||
vessel: str,
|
||||
time: float = 1800.0 # 30分钟
|
||||
) -> List[Dict[str, Any]]:
|
||||
"""超高速离心：超细颗粒分离"""
|
||||
return generate_centrifuge_protocol(G, vessel, 15000.0, time, 4.0)
|
||||
550
unilabos/compile/clean_vessel_protocol.py
Normal file
550
unilabos/compile/clean_vessel_protocol.py
Normal file
@@ -0,0 +1,550 @@
|
||||
from typing import List, Dict, Any
|
||||
import networkx as nx
|
||||
from .pump_protocol import generate_pump_protocol
|
||||
|
||||
|
||||
def find_solvent_vessel(G: nx.DiGraph, solvent: str) -> str:
|
||||
"""
|
||||
查找溶剂容器，支持多种匹配模式：
|
||||
1. 容器名称匹配（如 flask_water, reagent_bottle_1-DMF）
|
||||
2. 容器内液体类型匹配（如 liquid_type: "DMF", "ethanol"）
|
||||
"""
|
||||
print(f"CLEAN_VESSEL: 正在查找溶剂 '{solvent}' 的容器...")
|
||||
|
||||
# 第一步：通过容器名称匹配
|
||||
possible_names = [
|
||||
f"flask_{solvent}", # flask_water, flask_ethanol
|
||||
f"bottle_{solvent}", # bottle_water, bottle_ethanol
|
||||
f"vessel_{solvent}", # vessel_water, vessel_ethanol
|
||||
f"{solvent}_flask", # water_flask, ethanol_flask
|
||||
f"{solvent}_bottle", # water_bottle, ethanol_bottle
|
||||
f"{solvent}", # 直接用溶剂名
|
||||
f"solvent_{solvent}", # solvent_water, solvent_ethanol
|
||||
f"reagent_bottle_{solvent}", # reagent_bottle_DMF
|
||||
]
|
||||
|
||||
# 尝试名称匹配
|
||||
for vessel_name in possible_names:
|
||||
if vessel_name in G.nodes():
|
||||
print(f"CLEAN_VESSEL: 通过名称匹配找到容器: {vessel_name}")
|
||||
return vessel_name
|
||||
|
||||
# 第二步：通过模糊名称匹配（名称中包含溶剂名）
|
||||
for node_id in G.nodes():
|
||||
if G.nodes[node_id].get('type') == 'container':
|
||||
# 检查节点ID或名称中是否包含溶剂名
|
||||
node_name = G.nodes[node_id].get('name', '').lower()
|
||||
if (solvent.lower() in node_id.lower() or
|
||||
solvent.lower() in node_name):
|
||||
print(f"CLEAN_VESSEL: 通过模糊名称匹配找到容器: {node_id} (名称: {node_name})")
|
||||
return node_id
|
||||
|
||||
# 第三步：通过液体类型匹配
|
||||
for node_id in G.nodes():
|
||||
if G.nodes[node_id].get('type') == 'container':
|
||||
vessel_data = G.nodes[node_id].get('data', {})
|
||||
liquids = vessel_data.get('liquid', [])
|
||||
|
||||
for liquid in liquids:
|
||||
if isinstance(liquid, dict):
|
||||
# 支持两种格式的液体类型字段
|
||||
liquid_type = liquid.get('liquid_type') or liquid.get('name', '')
|
||||
reagent_name = vessel_data.get('reagent_name', '')
|
||||
config_reagent = G.nodes[node_id].get('config', {}).get('reagent', '')
|
||||
|
||||
# 检查多个可能的字段
|
||||
if (liquid_type.lower() == solvent.lower() or
|
||||
reagent_name.lower() == solvent.lower() or
|
||||
config_reagent.lower() == solvent.lower()):
|
||||
print(f"CLEAN_VESSEL: 通过液体类型匹配找到容器: {node_id}")
|
||||
print(f" - liquid_type: {liquid_type}")
|
||||
print(f" - reagent_name: {reagent_name}")
|
||||
print(f" - config.reagent: {config_reagent}")
|
||||
return node_id
|
||||
|
||||
# 第四步：列出所有可用的容器信息帮助调试
|
||||
available_containers = []
|
||||
for node_id in G.nodes():
|
||||
if G.nodes[node_id].get('type') == 'container':
|
||||
vessel_data = G.nodes[node_id].get('data', {})
|
||||
config_data = G.nodes[node_id].get('config', {})
|
||||
liquids = vessel_data.get('liquid', [])
|
||||
|
||||
container_info = {
|
||||
'id': node_id,
|
||||
'name': G.nodes[node_id].get('name', ''),
|
||||
'liquid_types': [],
|
||||
'reagent_name': vessel_data.get('reagent_name', ''),
|
||||
'config_reagent': config_data.get('reagent', '')
|
||||
}
|
||||
|
||||
for liquid in liquids:
|
||||
if isinstance(liquid, dict):
|
||||
liquid_type = liquid.get('liquid_type') or liquid.get('name', '')
|
||||
if liquid_type:
|
||||
container_info['liquid_types'].append(liquid_type)
|
||||
|
||||
available_containers.append(container_info)
|
||||
|
||||
print(f"CLEAN_VESSEL: 可用容器列表:")
|
||||
for container in available_containers:
|
||||
print(f" - {container['id']}: {container['name']}")
|
||||
print(f" 液体类型: {container['liquid_types']}")
|
||||
print(f" 试剂名称: {container['reagent_name']}")
|
||||
print(f" 配置试剂: {container['config_reagent']}")
|
||||
|
||||
raise ValueError(f"未找到溶剂 '{solvent}' 的容器。尝试了名称匹配: {possible_names}")
|
||||
|
||||
|
||||
def find_solvent_vessel_by_any_match(G: nx.DiGraph, solvent: str) -> str:
|
||||
"""
|
||||
增强版溶剂容器查找，支持各种匹配方式的别名函数
|
||||
"""
|
||||
return find_solvent_vessel(G, solvent)
|
||||
|
||||
|
||||
def find_waste_vessel(G: nx.DiGraph) -> str:
|
||||
"""
|
||||
查找废液容器
|
||||
"""
|
||||
possible_waste_names = [
|
||||
"waste_workup",
|
||||
"flask_waste",
|
||||
"bottle_waste",
|
||||
"waste",
|
||||
"waste_vessel",
|
||||
"waste_container"
|
||||
]
|
||||
|
||||
for waste_name in possible_waste_names:
|
||||
if waste_name in G.nodes():
|
||||
return waste_name
|
||||
|
||||
raise ValueError(f"未找到废液容器。尝试了以下名称: {possible_waste_names}")
|
||||
|
||||
|
||||
def find_connected_heatchill(G: nx.DiGraph, vessel: str) -> str:
|
||||
"""
|
||||
查找与指定容器相连的加热冷却设备
|
||||
"""
|
||||
# 查找所有加热冷却设备节点
|
||||
heatchill_nodes = [node for node in G.nodes()
|
||||
if (G.nodes[node].get('class') or '') == 'virtual_heatchill']
|
||||
|
||||
# 检查哪个加热设备与目标容器相连（机械连接）
|
||||
for heatchill in heatchill_nodes:
|
||||
if G.has_edge(heatchill, vessel) or G.has_edge(vessel, heatchill):
|
||||
return heatchill
|
||||
|
||||
# 如果没有直接连接，返回第一个可用的加热设备
|
||||
if heatchill_nodes:
|
||||
return heatchill_nodes[0]
|
||||
|
||||
return None # 没有加热设备也可以工作，只是不能加热
|
||||
|
||||
|
||||
def generate_clean_vessel_protocol(
|
||||
G: nx.DiGraph,
|
||||
vessel: dict, # 🔧 修改：从字符串改为字典类型
|
||||
solvent: str,
|
||||
volume: float,
|
||||
temp: float,
|
||||
repeats: int = 1
|
||||
) -> List[Dict[str, Any]]:
|
||||
"""
|
||||
生成容器清洗操作的协议序列，复用 pump_protocol 的成熟算法
|
||||
|
||||
清洗流程：
|
||||
1. 查找溶剂容器和废液容器
|
||||
2. 如果需要加热，启动加热设备
|
||||
3. 重复以下操作 repeats 次：
|
||||
a. 使用 pump_protocol 将溶剂从溶剂容器转移到目标容器
|
||||
b. (可选) 等待清洗作用时间
|
||||
c. 使用 pump_protocol 将清洗液从目标容器转移到废液容器
|
||||
4. 如果加热了，停止加热
|
||||
|
||||
Args:
|
||||
G: 有向图，节点为设备和容器，边为流体管道
|
||||
vessel: 要清洗的容器字典（包含id字段）
|
||||
solvent: 用于清洗的溶剂名称
|
||||
volume: 每次清洗使用的溶剂体积
|
||||
temp: 清洗时的温度
|
||||
repeats: 清洗操作的重复次数，默认为 1
|
||||
|
||||
Returns:
|
||||
List[Dict[str, Any]]: 容器清洗操作的动作序列
|
||||
|
||||
Raises:
|
||||
ValueError: 当找不到必要的容器或设备时抛出异常
|
||||
|
||||
Examples:
|
||||
clean_protocol = generate_clean_vessel_protocol(G, {"id": "main_reactor"}, "water", 100.0, 60.0, 2)
|
||||
"""
|
||||
# 🔧 核心修改：从字典中提取容器ID
|
||||
# 统一处理vessel参数
|
||||
if isinstance(vessel, dict):
|
||||
if "id" not in vessel:
|
||||
vessel_id = list(vessel.values())[0].get("id", "")
|
||||
else:
|
||||
vessel_id = vessel.get("id", "")
|
||||
vessel_data = vessel.get("data", {})
|
||||
else:
|
||||
vessel_id = str(vessel)
|
||||
vessel_data = G.nodes[vessel_id].get("data", {}) if vessel_id in G.nodes() else {}
|
||||
|
||||
action_sequence = []
|
||||
|
||||
print(f"CLEAN_VESSEL: 开始生成容器清洗协议")
|
||||
print(f" - 目标容器: {vessel} (ID: {vessel_id})")
|
||||
print(f" - 清洗溶剂: {solvent}")
|
||||
print(f" - 清洗体积: {volume} mL")
|
||||
print(f" - 清洗温度: {temp}°C")
|
||||
print(f" - 重复次数: {repeats}")
|
||||
|
||||
# 验证目标容器存在
|
||||
if vessel_id not in G.nodes():
|
||||
raise ValueError(f"目标容器 '{vessel_id}' 不存在于系统中")
|
||||
|
||||
# 查找溶剂容器
|
||||
try:
|
||||
solvent_vessel = find_solvent_vessel(G, solvent)
|
||||
print(f"CLEAN_VESSEL: 找到溶剂容器: {solvent_vessel}")
|
||||
except ValueError as e:
|
||||
raise ValueError(f"无法找到溶剂容器: {str(e)}")
|
||||
|
||||
# 查找废液容器
|
||||
try:
|
||||
waste_vessel = find_waste_vessel(G)
|
||||
print(f"CLEAN_VESSEL: 找到废液容器: {waste_vessel}")
|
||||
except ValueError as e:
|
||||
raise ValueError(f"无法找到废液容器: {str(e)}")
|
||||
|
||||
# 查找加热设备（可选）
|
||||
heatchill_id = find_connected_heatchill(G, vessel_id) # 🔧 使用 vessel_id
|
||||
if heatchill_id:
|
||||
print(f"CLEAN_VESSEL: 找到加热设备: {heatchill_id}")
|
||||
else:
|
||||
print(f"CLEAN_VESSEL: 未找到加热设备，将在室温下清洗")
|
||||
|
||||
# 🔧 新增：记录清洗前的容器状态
|
||||
print(f"CLEAN_VESSEL: 记录清洗前容器状态...")
|
||||
original_liquid_volume = 0.0
|
||||
if "data" in vessel and "liquid_volume" in vessel["data"]:
|
||||
current_volume = vessel["data"]["liquid_volume"]
|
||||
if isinstance(current_volume, list) and len(current_volume) > 0:
|
||||
original_liquid_volume = current_volume[0]
|
||||
elif isinstance(current_volume, (int, float)):
|
||||
original_liquid_volume = current_volume
|
||||
print(f"CLEAN_VESSEL: 清洗前液体体积: {original_liquid_volume:.2f}mL")
|
||||
|
||||
# 第一步：如果需要加热且有加热设备，启动加热
|
||||
if temp > 25.0 and heatchill_id:
|
||||
print(f"CLEAN_VESSEL: 启动加热至 {temp}°C")
|
||||
heatchill_start_action = {
|
||||
"device_id": heatchill_id,
|
||||
"action_name": "heat_chill_start",
|
||||
"action_kwargs": {
|
||||
"vessel": vessel_id, # 🔧 使用 vessel_id
|
||||
"temp": temp,
|
||||
"purpose": f"cleaning with {solvent}"
|
||||
}
|
||||
}
|
||||
action_sequence.append(heatchill_start_action)
|
||||
|
||||
# 等待温度稳定
|
||||
wait_action = {
|
||||
"action_name": "wait",
|
||||
"action_kwargs": {"time": 30} # 等待30秒让温度稳定
|
||||
}
|
||||
action_sequence.append(wait_action)
|
||||
|
||||
# 第二步：重复清洗操作
|
||||
for repeat in range(repeats):
|
||||
print(f"CLEAN_VESSEL: 执行第 {repeat + 1} 次清洗")
|
||||
|
||||
# 2a. 使用 pump_protocol 将溶剂转移到目标容器
|
||||
print(f"CLEAN_VESSEL: 将 {volume} mL {solvent} 转移到 {vessel_id}")
|
||||
try:
|
||||
# 调用成熟的 pump_protocol 算法
|
||||
add_solvent_actions = generate_pump_protocol(
|
||||
G=G,
|
||||
from_vessel=solvent_vessel,
|
||||
to_vessel=vessel_id, # 🔧 使用 vessel_id
|
||||
volume=volume,
|
||||
flowrate=2.5, # 适中的流速，避免飞溅
|
||||
transfer_flowrate=2.5
|
||||
)
|
||||
action_sequence.extend(add_solvent_actions)
|
||||
|
||||
# 🔧 新增：更新容器体积（添加清洗溶剂）
|
||||
print(f"CLEAN_VESSEL: 更新容器体积 - 添加清洗溶剂 {volume:.2f}mL")
|
||||
if "data" not in vessel:
|
||||
vessel["data"] = {}
|
||||
|
||||
if "liquid_volume" in vessel["data"]:
|
||||
current_volume = vessel["data"]["liquid_volume"]
|
||||
if isinstance(current_volume, list):
|
||||
if len(current_volume) > 0:
|
||||
vessel["data"]["liquid_volume"][0] += volume
|
||||
print(f"CLEAN_VESSEL: 添加溶剂后体积: {vessel['data']['liquid_volume'][0]:.2f}mL (+{volume:.2f}mL)")
|
||||
else:
|
||||
vessel["data"]["liquid_volume"] = [volume]
|
||||
print(f"CLEAN_VESSEL: 初始化清洗体积: {volume:.2f}mL")
|
||||
elif isinstance(current_volume, (int, float)):
|
||||
vessel["data"]["liquid_volume"] += volume
|
||||
print(f"CLEAN_VESSEL: 添加溶剂后体积: {vessel['data']['liquid_volume']:.2f}mL (+{volume:.2f}mL)")
|
||||
else:
|
||||
vessel["data"]["liquid_volume"] = volume
|
||||
print(f"CLEAN_VESSEL: 重置体积为: {volume:.2f}mL")
|
||||
else:
|
||||
vessel["data"]["liquid_volume"] = volume
|
||||
print(f"CLEAN_VESSEL: 创建新体积记录: {volume:.2f}mL")
|
||||
|
||||
# 🔧 同时更新图中的容器数据
|
||||
if vessel_id in G.nodes():
|
||||
if 'data' not in G.nodes[vessel_id]:
|
||||
G.nodes[vessel_id]['data'] = {}
|
||||
|
||||
vessel_node_data = G.nodes[vessel_id]['data']
|
||||
current_node_volume = vessel_node_data.get('liquid_volume', 0.0)
|
||||
|
||||
if isinstance(current_node_volume, list):
|
||||
if len(current_node_volume) > 0:
|
||||
G.nodes[vessel_id]['data']['liquid_volume'][0] += volume
|
||||
else:
|
||||
G.nodes[vessel_id]['data']['liquid_volume'] = [volume]
|
||||
else:
|
||||
G.nodes[vessel_id]['data']['liquid_volume'] = current_node_volume + volume
|
||||
|
||||
print(f"CLEAN_VESSEL: 图节点体积数据已更新")
|
||||
|
||||
except Exception as e:
|
||||
raise ValueError(f"无法将溶剂转移到容器: {str(e)}")
|
||||
|
||||
# 2b. 等待清洗作用时间（让溶剂充分清洗容器）
|
||||
cleaning_wait_time = 60 if temp > 50.0 else 30 # 高温下等待更久
|
||||
print(f"CLEAN_VESSEL: 等待清洗作用 {cleaning_wait_time} 秒")
|
||||
wait_action = {
|
||||
"action_name": "wait",
|
||||
"action_kwargs": {"time": cleaning_wait_time}
|
||||
}
|
||||
action_sequence.append(wait_action)
|
||||
|
||||
# 2c. 使用 pump_protocol 将清洗液转移到废液容器
|
||||
print(f"CLEAN_VESSEL: 将清洗液从 {vessel_id} 转移到废液容器")
|
||||
try:
|
||||
# 调用成熟的 pump_protocol 算法
|
||||
remove_waste_actions = generate_pump_protocol(
|
||||
G=G,
|
||||
from_vessel=vessel_id, # 🔧 使用 vessel_id
|
||||
to_vessel=waste_vessel,
|
||||
volume=volume,
|
||||
flowrate=2.5, # 适中的流速
|
||||
transfer_flowrate=2.5
|
||||
)
|
||||
action_sequence.extend(remove_waste_actions)
|
||||
|
||||
# 🔧 新增：更新容器体积（移除清洗液）
|
||||
print(f"CLEAN_VESSEL: 更新容器体积 - 移除清洗液 {volume:.2f}mL")
|
||||
if "data" in vessel and "liquid_volume" in vessel["data"]:
|
||||
current_volume = vessel["data"]["liquid_volume"]
|
||||
if isinstance(current_volume, list):
|
||||
if len(current_volume) > 0:
|
||||
vessel["data"]["liquid_volume"][0] = max(0.0, vessel["data"]["liquid_volume"][0] - volume)
|
||||
print(f"CLEAN_VESSEL: 移除清洗液后体积: {vessel['data']['liquid_volume'][0]:.2f}mL (-{volume:.2f}mL)")
|
||||
else:
|
||||
vessel["data"]["liquid_volume"] = [0.0]
|
||||
print(f"CLEAN_VESSEL: 重置体积为0mL")
|
||||
elif isinstance(current_volume, (int, float)):
|
||||
vessel["data"]["liquid_volume"] = max(0.0, current_volume - volume)
|
||||
print(f"CLEAN_VESSEL: 移除清洗液后体积: {vessel['data']['liquid_volume']:.2f}mL (-{volume:.2f}mL)")
|
||||
else:
|
||||
vessel["data"]["liquid_volume"] = 0.0
|
||||
print(f"CLEAN_VESSEL: 重置体积为0mL")
|
||||
|
||||
# 🔧 同时更新图中的容器数据
|
||||
if vessel_id in G.nodes():
|
||||
vessel_node_data = G.nodes[vessel_id].get('data', {})
|
||||
current_node_volume = vessel_node_data.get('liquid_volume', 0.0)
|
||||
|
||||
if isinstance(current_node_volume, list):
|
||||
if len(current_node_volume) > 0:
|
||||
G.nodes[vessel_id]['data']['liquid_volume'][0] = max(0.0, current_node_volume[0] - volume)
|
||||
else:
|
||||
G.nodes[vessel_id]['data']['liquid_volume'] = [0.0]
|
||||
else:
|
||||
G.nodes[vessel_id]['data']['liquid_volume'] = max(0.0, current_node_volume - volume)
|
||||
|
||||
print(f"CLEAN_VESSEL: 图节点体积数据已更新")
|
||||
|
||||
except Exception as e:
|
||||
raise ValueError(f"无法将清洗液转移到废液容器: {str(e)}")
|
||||
|
||||
# 2d. 清洗循环间的短暂等待
|
||||
if repeat < repeats - 1: # 不是最后一次清洗
|
||||
print(f"CLEAN_VESSEL: 清洗循环间等待")
|
||||
wait_action = {
|
||||
"action_name": "wait",
|
||||
"action_kwargs": {"time": 10}
|
||||
}
|
||||
action_sequence.append(wait_action)
|
||||
|
||||
# 第三步：如果加热了，停止加热
|
||||
if temp > 25.0 and heatchill_id:
|
||||
print(f"CLEAN_VESSEL: 停止加热")
|
||||
heatchill_stop_action = {
|
||||
"device_id": heatchill_id,
|
||||
"action_name": "heat_chill_stop",
|
||||
"action_kwargs": {
|
||||
"vessel": vessel_id # 🔧 使用 vessel_id
|
||||
}
|
||||
}
|
||||
action_sequence.append(heatchill_stop_action)
|
||||
|
||||
# 🔧 新增：清洗完成后的状态报告
|
||||
final_liquid_volume = 0.0
|
||||
if "data" in vessel and "liquid_volume" in vessel["data"]:
|
||||
current_volume = vessel["data"]["liquid_volume"]
|
||||
if isinstance(current_volume, list) and len(current_volume) > 0:
|
||||
final_liquid_volume = current_volume[0]
|
||||
elif isinstance(current_volume, (int, float)):
|
||||
final_liquid_volume = current_volume
|
||||
|
||||
print(f"CLEAN_VESSEL: 清洗完成")
|
||||
print(f" - 清洗前体积: {original_liquid_volume:.2f}mL")
|
||||
print(f" - 清洗后体积: {final_liquid_volume:.2f}mL")
|
||||
print(f" - 生成了 {len(action_sequence)} 个动作")
|
||||
|
||||
return action_sequence
|
||||
|
||||
|
||||
# 便捷函数：常用清洗方案
|
||||
def generate_quick_clean_protocol(
|
||||
G: nx.DiGraph,
|
||||
vessel: dict, # 🔧 修改：从字符串改为字典类型
|
||||
solvent: str = "water",
|
||||
volume: float = 100.0
|
||||
) -> List[Dict[str, Any]]:
|
||||
"""快速清洗：室温，单次清洗"""
|
||||
return generate_clean_vessel_protocol(G, vessel, solvent, volume, 25.0, 1)
|
||||
|
||||
|
||||
def generate_thorough_clean_protocol(
|
||||
G: nx.DiGraph,
|
||||
vessel: dict, # 🔧 修改：从字符串改为字典类型
|
||||
solvent: str = "water",
|
||||
volume: float = 150.0,
|
||||
temp: float = 60.0
|
||||
) -> List[Dict[str, Any]]:
|
||||
"""深度清洗：加热，多次清洗"""
|
||||
return generate_clean_vessel_protocol(G, vessel, solvent, volume, temp, 3)
|
||||
|
||||
|
||||
def generate_organic_clean_protocol(
|
||||
G: nx.DiGraph,
|
||||
vessel: dict, # 🔧 修改：从字符串改为字典类型
|
||||
volume: float = 100.0
|
||||
) -> List[Dict[str, Any]]:
|
||||
"""有机清洗：先用有机溶剂，再用水清洗"""
|
||||
action_sequence = []
|
||||
|
||||
# 第一步：有机溶剂清洗
|
||||
try:
|
||||
organic_actions = generate_clean_vessel_protocol(
|
||||
G, vessel, "acetone", volume, 25.0, 2
|
||||
)
|
||||
action_sequence.extend(organic_actions)
|
||||
except ValueError:
|
||||
# 如果没有丙酮，尝试乙醇
|
||||
try:
|
||||
organic_actions = generate_clean_vessel_protocol(
|
||||
G, vessel, "ethanol", volume, 25.0, 2
|
||||
)
|
||||
action_sequence.extend(organic_actions)
|
||||
except ValueError:
|
||||
print("警告：未找到有机溶剂，跳过有机清洗步骤")
|
||||
|
||||
# 第二步：水清洗
|
||||
water_actions = generate_clean_vessel_protocol(
|
||||
G, vessel, "water", volume, 25.0, 2
|
||||
)
|
||||
action_sequence.extend(water_actions)
|
||||
|
||||
return action_sequence
|
||||
|
||||
|
||||
def get_vessel_liquid_volume(G: nx.DiGraph, vessel: str) -> float:
|
||||
"""获取容器中的液体体积（修复版）"""
|
||||
if vessel not in G.nodes():
|
||||
return 0.0
|
||||
|
||||
vessel_data = G.nodes[vessel].get('data', {})
|
||||
liquids = vessel_data.get('liquid', [])
|
||||
|
||||
total_volume = 0.0
|
||||
for liquid in liquids:
|
||||
if isinstance(liquid, dict):
|
||||
# 支持两种格式：新格式 (name, volume) 和旧格式 (liquid_type, liquid_volume)
|
||||
volume = liquid.get('volume') or liquid.get('liquid_volume', 0.0)
|
||||
total_volume += volume
|
||||
|
||||
return total_volume
|
||||
|
||||
|
||||
def get_vessel_liquid_types(G: nx.DiGraph, vessel: str) -> List[str]:
|
||||
"""获取容器中所有液体的类型"""
|
||||
if vessel not in G.nodes():
|
||||
return []
|
||||
|
||||
vessel_data = G.nodes[vessel].get('data', {})
|
||||
liquids = vessel_data.get('liquid', [])
|
||||
|
||||
liquid_types = []
|
||||
for liquid in liquids:
|
||||
if isinstance(liquid, dict):
|
||||
# 支持两种格式的液体类型字段
|
||||
liquid_type = liquid.get('liquid_type') or liquid.get('name', '')
|
||||
if liquid_type:
|
||||
liquid_types.append(liquid_type)
|
||||
|
||||
return liquid_types
|
||||
|
||||
|
||||
def find_vessel_by_content(G: nx.DiGraph, content: str) -> List[str]:
|
||||
"""
|
||||
根据内容物查找所有匹配的容器
|
||||
返回匹配容器的ID列表
|
||||
"""
|
||||
matching_vessels = []
|
||||
|
||||
for node_id in G.nodes():
|
||||
if G.nodes[node_id].get('type') == 'container':
|
||||
# 检查容器名称匹配
|
||||
node_name = G.nodes[node_id].get('name', '').lower()
|
||||
if content.lower() in node_id.lower() or content.lower() in node_name:
|
||||
matching_vessels.append(node_id)
|
||||
continue
|
||||
|
||||
# 检查液体类型匹配
|
||||
vessel_data = G.nodes[node_id].get('data', {})
|
||||
liquids = vessel_data.get('liquid', [])
|
||||
config_data = G.nodes[node_id].get('config', {})
|
||||
|
||||
# 检查 reagent_name 和 config.reagent
|
||||
reagent_name = vessel_data.get('reagent_name', '').lower()
|
||||
config_reagent = config_data.get('reagent', '').lower()
|
||||
|
||||
if (content.lower() == reagent_name or
|
||||
content.lower() == config_reagent):
|
||||
matching_vessels.append(node_id)
|
||||
continue
|
||||
|
||||
# 检查液体列表
|
||||
for liquid in liquids:
|
||||
if isinstance(liquid, dict):
|
||||
liquid_type = liquid.get('liquid_type') or liquid.get('name', '')
|
||||
if liquid_type.lower() == content.lower():
|
||||
matching_vessels.append(node_id)
|
||||
break
|
||||
|
||||
return matching_vessels
|
||||
974
unilabos/compile/dissolve_protocol.py
Normal file
974
unilabos/compile/dissolve_protocol.py
Normal file
@@ -0,0 +1,974 @@
|
||||
import networkx as nx
|
||||
import re
|
||||
import logging
|
||||
from typing import List, Dict, Any, Union
|
||||
from .pump_protocol import generate_pump_protocol_with_rinsing
|
||||
|
||||
logger = logging.getLogger(__name__)
|
||||
|
||||
def debug_print(message):
|
||||
"""调试输出"""
|
||||
print(f"[DISSOLVE] {message}", flush=True)
|
||||
logger.info(f"[DISSOLVE] {message}")
|
||||
|
||||
# 🆕 创建进度日志动作
|
||||
def create_action_log(message: str, emoji: str = "📝") -> Dict[str, Any]:
|
||||
"""创建一个动作日志"""
|
||||
full_message = f"{emoji} {message}"
|
||||
debug_print(full_message)
|
||||
logger.info(full_message)
|
||||
print(f"[ACTION] {full_message}", flush=True)
|
||||
|
||||
return {
|
||||
"action_name": "wait",
|
||||
"action_kwargs": {
|
||||
"time": 0.1,
|
||||
"log_message": full_message
|
||||
}
|
||||
}
|
||||
|
||||
def parse_volume_input(volume_input: Union[str, float]) -> float:
|
||||
"""
|
||||
解析体积输入，支持带单位的字符串
|
||||
|
||||
Args:
|
||||
volume_input: 体积输入（如 "10 mL", "?", 10.0）
|
||||
|
||||
Returns:
|
||||
float: 体积（毫升）
|
||||
"""
|
||||
if isinstance(volume_input, (int, float)):
|
||||
debug_print(f"📏 体积输入为数值: {volume_input}")
|
||||
return float(volume_input)
|
||||
|
||||
if not volume_input or not str(volume_input).strip():
|
||||
debug_print(f"⚠️ 体积输入为空，返回0.0mL")
|
||||
return 0.0
|
||||
|
||||
volume_str = str(volume_input).lower().strip()
|
||||
debug_print(f"🔍 解析体积输入: '{volume_str}'")
|
||||
|
||||
# 处理未知体积
|
||||
if volume_str in ['?', 'unknown', 'tbd', 'to be determined']:
|
||||
default_volume = 50.0 # 默认50mL
|
||||
debug_print(f"❓ 检测到未知体积，使用默认值: {default_volume}mL 🎯")
|
||||
return default_volume
|
||||
|
||||
# 移除空格并提取数字和单位
|
||||
volume_clean = re.sub(r'\s+', '', volume_str)
|
||||
|
||||
# 匹配数字和单位的正则表达式
|
||||
match = re.match(r'([0-9]*\.?[0-9]+)\s*(ml|l|μl|ul|microliter|milliliter|liter)?', volume_clean)
|
||||
|
||||
if not match:
|
||||
debug_print(f"❌ 无法解析体积: '{volume_str}'，使用默认值50mL")
|
||||
return 50.0
|
||||
|
||||
value = float(match.group(1))
|
||||
unit = match.group(2) or 'ml' # 默认单位为毫升
|
||||
|
||||
# 转换为毫升
|
||||
if unit in ['l', 'liter']:
|
||||
volume = value * 1000.0 # L -> mL
|
||||
debug_print(f"🔄 体积转换: {value}L → {volume}mL")
|
||||
elif unit in ['μl', 'ul', 'microliter']:
|
||||
volume = value / 1000.0 # μL -> mL
|
||||
debug_print(f"🔄 体积转换: {value}μL → {volume}mL")
|
||||
else: # ml, milliliter 或默认
|
||||
volume = value # 已经是mL
|
||||
debug_print(f"✅ 体积已为mL: {volume}mL")
|
||||
|
||||
return volume
|
||||
|
||||
def parse_mass_input(mass_input: Union[str, float]) -> float:
|
||||
"""
|
||||
解析质量输入，支持带单位的字符串
|
||||
|
||||
Args:
|
||||
mass_input: 质量输入（如 "2.9 g", "?", 2.5）
|
||||
|
||||
Returns:
|
||||
float: 质量（克）
|
||||
"""
|
||||
if isinstance(mass_input, (int, float)):
|
||||
debug_print(f"⚖️ 质量输入为数值: {mass_input}g")
|
||||
return float(mass_input)
|
||||
|
||||
if not mass_input or not str(mass_input).strip():
|
||||
debug_print(f"⚠️ 质量输入为空，返回0.0g")
|
||||
return 0.0
|
||||
|
||||
mass_str = str(mass_input).lower().strip()
|
||||
debug_print(f"🔍 解析质量输入: '{mass_str}'")
|
||||
|
||||
# 处理未知质量
|
||||
if mass_str in ['?', 'unknown', 'tbd', 'to be determined']:
|
||||
default_mass = 1.0 # 默认1g
|
||||
debug_print(f"❓ 检测到未知质量，使用默认值: {default_mass}g 🎯")
|
||||
return default_mass
|
||||
|
||||
# 移除空格并提取数字和单位
|
||||
mass_clean = re.sub(r'\s+', '', mass_str)
|
||||
|
||||
# 匹配数字和单位的正则表达式
|
||||
match = re.match(r'([0-9]*\.?[0-9]+)\s*(g|mg|kg|gram|milligram|kilogram)?', mass_clean)
|
||||
|
||||
if not match:
|
||||
debug_print(f"❌ 无法解析质量: '{mass_str}'，返回0.0g")
|
||||
return 0.0
|
||||
|
||||
value = float(match.group(1))
|
||||
unit = match.group(2) or 'g' # 默认单位为克
|
||||
|
||||
# 转换为克
|
||||
if unit in ['mg', 'milligram']:
|
||||
mass = value / 1000.0 # mg -> g
|
||||
debug_print(f"🔄 质量转换: {value}mg → {mass}g")
|
||||
elif unit in ['kg', 'kilogram']:
|
||||
mass = value * 1000.0 # kg -> g
|
||||
debug_print(f"🔄 质量转换: {value}kg → {mass}g")
|
||||
else: # g, gram 或默认
|
||||
mass = value # 已经是g
|
||||
debug_print(f"✅ 质量已为g: {mass}g")
|
||||
|
||||
return mass
|
||||
|
||||
def parse_time_input(time_input: Union[str, float]) -> float:
|
||||
"""
|
||||
解析时间输入，支持带单位的字符串
|
||||
|
||||
Args:
|
||||
time_input: 时间输入（如 "30 min", "1 h", "?", 60.0）
|
||||
|
||||
Returns:
|
||||
float: 时间（秒）
|
||||
"""
|
||||
if isinstance(time_input, (int, float)):
|
||||
debug_print(f"⏱️ 时间输入为数值: {time_input}秒")
|
||||
return float(time_input)
|
||||
|
||||
if not time_input or not str(time_input).strip():
|
||||
debug_print(f"⚠️ 时间输入为空，返回0秒")
|
||||
return 0.0
|
||||
|
||||
time_str = str(time_input).lower().strip()
|
||||
debug_print(f"🔍 解析时间输入: '{time_str}'")
|
||||
|
||||
# 处理未知时间
|
||||
if time_str in ['?', 'unknown', 'tbd']:
|
||||
default_time = 600.0 # 默认10分钟
|
||||
debug_print(f"❓ 检测到未知时间，使用默认值: {default_time}s (10分钟) ⏰")
|
||||
return default_time
|
||||
|
||||
# 移除空格并提取数字和单位
|
||||
time_clean = re.sub(r'\s+', '', time_str)
|
||||
|
||||
# 匹配数字和单位的正则表达式
|
||||
match = re.match(r'([0-9]*\.?[0-9]+)\s*(s|sec|second|min|minute|h|hr|hour|d|day)?', time_clean)
|
||||
|
||||
if not match:
|
||||
debug_print(f"❌ 无法解析时间: '{time_str}'，返回0s")
|
||||
return 0.0
|
||||
|
||||
value = float(match.group(1))
|
||||
unit = match.group(2) or 's' # 默认单位为秒
|
||||
|
||||
# 转换为秒
|
||||
if unit in ['min', 'minute']:
|
||||
time_sec = value * 60.0 # min -> s
|
||||
debug_print(f"🔄 时间转换: {value}分钟 → {time_sec}秒")
|
||||
elif unit in ['h', 'hr', 'hour']:
|
||||
time_sec = value * 3600.0 # h -> s
|
||||
debug_print(f"🔄 时间转换: {value}小时 → {time_sec}秒")
|
||||
elif unit in ['d', 'day']:
|
||||
time_sec = value * 86400.0 # d -> s
|
||||
debug_print(f"🔄 时间转换: {value}天 → {time_sec}秒")
|
||||
else: # s, sec, second 或默认
|
||||
time_sec = value # 已经是s
|
||||
debug_print(f"✅ 时间已为秒: {time_sec}秒")
|
||||
|
||||
return time_sec
|
||||
|
||||
def parse_temperature_input(temp_input: Union[str, float]) -> float:
|
||||
"""
|
||||
解析温度输入，支持带单位的字符串
|
||||
|
||||
Args:
|
||||
temp_input: 温度输入（如 "60 °C", "room temperature", "?", 25.0）
|
||||
|
||||
Returns:
|
||||
float: 温度（摄氏度）
|
||||
"""
|
||||
if isinstance(temp_input, (int, float)):
|
||||
debug_print(f"🌡️ 温度输入为数值: {temp_input}°C")
|
||||
return float(temp_input)
|
||||
|
||||
if not temp_input or not str(temp_input).strip():
|
||||
debug_print(f"⚠️ 温度输入为空，使用默认室温25°C")
|
||||
return 25.0 # 默认室温
|
||||
|
||||
temp_str = str(temp_input).lower().strip()
|
||||
debug_print(f"🔍 解析温度输入: '{temp_str}'")
|
||||
|
||||
# 处理特殊温度描述
|
||||
temp_aliases = {
|
||||
'room temperature': 25.0,
|
||||
'rt': 25.0,
|
||||
'ambient': 25.0,
|
||||
'cold': 4.0,
|
||||
'ice': 0.0,
|
||||
'reflux': 80.0, # 默认回流温度
|
||||
'?': 25.0,
|
||||
'unknown': 25.0
|
||||
}
|
||||
|
||||
if temp_str in temp_aliases:
|
||||
result = temp_aliases[temp_str]
|
||||
debug_print(f"🏷️ 温度别名解析: '{temp_str}' → {result}°C")
|
||||
return result
|
||||
|
||||
# 移除空格并提取数字和单位
|
||||
temp_clean = re.sub(r'\s+', '', temp_str)
|
||||
|
||||
# 匹配数字和单位的正则表达式
|
||||
match = re.match(r'([0-9]*\.?[0-9]+)\s*(°c|c|celsius|°f|f|fahrenheit|k|kelvin)?', temp_clean)
|
||||
|
||||
if not match:
|
||||
debug_print(f"❌ 无法解析温度: '{temp_str}'，使用默认值25°C")
|
||||
return 25.0
|
||||
|
||||
value = float(match.group(1))
|
||||
unit = match.group(2) or 'c' # 默认单位为摄氏度
|
||||
|
||||
# 转换为摄氏度
|
||||
if unit in ['°f', 'f', 'fahrenheit']:
|
||||
temp_c = (value - 32) * 5/9 # F -> C
|
||||
debug_print(f"🔄 温度转换: {value}°F → {temp_c:.1f}°C")
|
||||
elif unit in ['k', 'kelvin']:
|
||||
temp_c = value - 273.15 # K -> C
|
||||
debug_print(f"🔄 温度转换: {value}K → {temp_c:.1f}°C")
|
||||
else: # °c, c, celsius 或默认
|
||||
temp_c = value # 已经是C
|
||||
debug_print(f"✅ 温度已为°C: {temp_c}°C")
|
||||
|
||||
return temp_c
|
||||
|
||||
def find_solvent_vessel(G: nx.DiGraph, solvent: str) -> str:
|
||||
"""增强版溶剂容器查找，支持多种匹配模式"""
|
||||
debug_print(f"🔍 开始查找溶剂 '{solvent}' 的容器...")
|
||||
|
||||
# 🔧 方法1：直接搜索 data.reagent_name 和 config.reagent
|
||||
debug_print(f"📋 方法1: 搜索reagent字段...")
|
||||
for node in G.nodes():
|
||||
node_data = G.nodes[node].get('data', {})
|
||||
node_type = G.nodes[node].get('type', '')
|
||||
config_data = G.nodes[node].get('config', {})
|
||||
|
||||
# 只搜索容器类型的节点
|
||||
if node_type == 'container':
|
||||
reagent_name = node_data.get('reagent_name', '').lower()
|
||||
config_reagent = config_data.get('reagent', '').lower()
|
||||
|
||||
# 精确匹配
|
||||
if reagent_name == solvent.lower() or config_reagent == solvent.lower():
|
||||
debug_print(f"✅ 通过reagent字段精确匹配到容器: {node} 🎯")
|
||||
return node
|
||||
|
||||
# 模糊匹配
|
||||
if (solvent.lower() in reagent_name and reagent_name) or \
|
||||
(solvent.lower() in config_reagent and config_reagent):
|
||||
debug_print(f"✅ 通过reagent字段模糊匹配到容器: {node} 🔍")
|
||||
return node
|
||||
|
||||
# 🔧 方法2：常见的容器命名规则
|
||||
debug_print(f"📋 方法2: 使用命名规则查找...")
|
||||
solvent_clean = solvent.lower().replace(' ', '_').replace('-', '_')
|
||||
possible_names = [
|
||||
solvent_clean,
|
||||
f"flask_{solvent_clean}",
|
||||
f"bottle_{solvent_clean}",
|
||||
f"vessel_{solvent_clean}",
|
||||
f"{solvent_clean}_flask",
|
||||
f"{solvent_clean}_bottle",
|
||||
f"solvent_{solvent_clean}",
|
||||
f"reagent_{solvent_clean}",
|
||||
f"reagent_bottle_{solvent_clean}",
|
||||
f"reagent_bottle_1", # 通用试剂瓶
|
||||
f"reagent_bottle_2",
|
||||
f"reagent_bottle_3"
|
||||
]
|
||||
|
||||
debug_print(f"🔍 尝试的容器名称: {possible_names[:5]}... (共{len(possible_names)}个)")
|
||||
|
||||
for name in possible_names:
|
||||
if name in G.nodes():
|
||||
node_type = G.nodes[name].get('type', '')
|
||||
if node_type == 'container':
|
||||
debug_print(f"✅ 通过命名规则找到容器: {name} 📝")
|
||||
return name
|
||||
|
||||
# 🔧 方法3：节点名称模糊匹配
|
||||
debug_print(f"📋 方法3: 节点名称模糊匹配...")
|
||||
for node_id in G.nodes():
|
||||
node_data = G.nodes[node_id]
|
||||
if node_data.get('type') == 'container':
|
||||
# 检查节点名称是否包含溶剂名称
|
||||
if solvent_clean in node_id.lower():
|
||||
debug_print(f"✅ 通过节点名称模糊匹配到容器: {node_id} 🔍")
|
||||
return node_id
|
||||
|
||||
# 检查液体类型匹配
|
||||
vessel_data = node_data.get('data', {})
|
||||
liquids = vessel_data.get('liquid', [])
|
||||
for liquid in liquids:
|
||||
if isinstance(liquid, dict):
|
||||
liquid_type = liquid.get('liquid_type') or liquid.get('name', '')
|
||||
if liquid_type.lower() == solvent.lower():
|
||||
debug_print(f"✅ 通过液体类型匹配到容器: {node_id} 💧")
|
||||
return node_id
|
||||
|
||||
# 🔧 方法4：使用第一个试剂瓶作为备选
|
||||
debug_print(f"📋 方法4: 查找备选试剂瓶...")
|
||||
for node_id in G.nodes():
|
||||
node_data = G.nodes[node_id]
|
||||
if (node_data.get('type') == 'container' and
|
||||
('reagent' in node_id.lower() or 'bottle' in node_id.lower() or 'flask' in node_id.lower())):
|
||||
debug_print(f"⚠️ 未找到专用容器，使用备选试剂瓶: {node_id} 🔄")
|
||||
return node_id
|
||||
|
||||
debug_print(f"❌ 所有方法都失败了，无法找到容器!")
|
||||
raise ValueError(f"找不到溶剂 '{solvent}' 对应的容器")
|
||||
|
||||
def find_connected_heatchill(G: nx.DiGraph, vessel: str) -> str:
|
||||
"""查找连接到指定容器的加热搅拌器"""
|
||||
debug_print(f"🔍 查找连接到容器 '{vessel}' 的加热搅拌器...")
|
||||
|
||||
heatchill_nodes = []
|
||||
for node in G.nodes():
|
||||
node_class = G.nodes[node].get('class', '').lower()
|
||||
if 'heatchill' in node_class:
|
||||
heatchill_nodes.append(node)
|
||||
debug_print(f"📋 发现加热搅拌器: {node}")
|
||||
|
||||
debug_print(f"📊 共找到 {len(heatchill_nodes)} 个加热搅拌器")
|
||||
|
||||
# 查找连接到容器的加热器
|
||||
for heatchill in heatchill_nodes:
|
||||
if G.has_edge(heatchill, vessel) or G.has_edge(vessel, heatchill):
|
||||
debug_print(f"✅ 找到连接的加热搅拌器: {heatchill} 🔗")
|
||||
return heatchill
|
||||
|
||||
# 返回第一个加热器
|
||||
if heatchill_nodes:
|
||||
debug_print(f"⚠️ 未找到直接连接的加热搅拌器，使用第一个: {heatchill_nodes[0]} 🔄")
|
||||
return heatchill_nodes[0]
|
||||
|
||||
debug_print(f"❌ 未找到任何加热搅拌器")
|
||||
return ""
|
||||
|
||||
def find_connected_stirrer(G: nx.DiGraph, vessel: str) -> str:
|
||||
"""查找连接到指定容器的搅拌器"""
|
||||
debug_print(f"🔍 查找连接到容器 '{vessel}' 的搅拌器...")
|
||||
|
||||
stirrer_nodes = []
|
||||
for node in G.nodes():
|
||||
node_class = G.nodes[node].get('class', '').lower()
|
||||
if 'stirrer' in node_class:
|
||||
stirrer_nodes.append(node)
|
||||
debug_print(f"📋 发现搅拌器: {node}")
|
||||
|
||||
debug_print(f"📊 共找到 {len(stirrer_nodes)} 个搅拌器")
|
||||
|
||||
# 查找连接到容器的搅拌器
|
||||
for stirrer in stirrer_nodes:
|
||||
if G.has_edge(stirrer, vessel) or G.has_edge(vessel, stirrer):
|
||||
debug_print(f"✅ 找到连接的搅拌器: {stirrer} 🔗")
|
||||
return stirrer
|
||||
|
||||
# 返回第一个搅拌器
|
||||
if stirrer_nodes:
|
||||
debug_print(f"⚠️ 未找到直接连接的搅拌器，使用第一个: {stirrer_nodes[0]} 🔄")
|
||||
return stirrer_nodes[0]
|
||||
|
||||
debug_print(f"❌ 未找到任何搅拌器")
|
||||
return ""
|
||||
|
||||
def find_solid_dispenser(G: nx.DiGraph) -> str:
|
||||
"""查找固体加样器"""
|
||||
debug_print(f"🔍 查找固体加样器...")
|
||||
|
||||
for node in G.nodes():
|
||||
node_class = G.nodes[node].get('class', '').lower()
|
||||
if 'solid_dispenser' in node_class or 'dispenser' in node_class:
|
||||
debug_print(f"✅ 找到固体加样器: {node} 🥄")
|
||||
return node
|
||||
|
||||
debug_print(f"❌ 未找到固体加样器")
|
||||
return ""
|
||||
|
||||
def generate_dissolve_protocol(
|
||||
G: nx.DiGraph,
|
||||
vessel: dict, # 🔧 修改：从字符串改为字典类型
|
||||
# 🔧 修复：按照checklist.md的DissolveProtocol参数
|
||||
solvent: str = "",
|
||||
volume: Union[str, float] = 0.0,
|
||||
amount: str = "",
|
||||
temp: Union[str, float] = 25.0,
|
||||
time: Union[str, float] = 0.0,
|
||||
stir_speed: float = 300.0,
|
||||
# 🔧 关键修复：添加缺失的参数，防止"unexpected keyword argument"错误
|
||||
mass: Union[str, float] = 0.0, # 这个参数在action文件中存在，必须包含
|
||||
mol: str = "", # 这个参数在action文件中存在，必须包含
|
||||
reagent: str = "", # 这个参数在action文件中存在，必须包含
|
||||
event: str = "", # 这个参数在action文件中存在，必须包含
|
||||
**kwargs # 🔧 关键：接受所有其他参数，防止unexpected keyword错误
|
||||
) -> List[Dict[str, Any]]:
|
||||
"""
|
||||
生成溶解操作的协议序列 - 增强版
|
||||
|
||||
🔧 修复要点：
|
||||
1. 修改vessel参数类型为dict，并提取vessel_id
|
||||
2. 添加action文件中的所有参数（mass, mol, reagent, event）
|
||||
3. 使用 **kwargs 接受所有额外参数，防止 unexpected keyword argument 错误
|
||||
4. 支持固体溶解和液体溶解两种模式
|
||||
5. 添加详细的体积运算逻辑
|
||||
|
||||
支持两种溶解模式：
|
||||
1. 液体溶解：指定 solvent + volume，使用pump protocol转移溶剂
|
||||
2. 固体溶解：指定 mass/mol + reagent，使用固体加样器添加固体试剂
|
||||
|
||||
支持所有XDL参数和单位：
|
||||
- volume: "10 mL", "?" 或数值
|
||||
- mass: "2.9 g", "?" 或数值
|
||||
- temp: "60 °C", "room temperature", "?" 或数值
|
||||
- time: "30 min", "1 h", "?" 或数值
|
||||
- mol: "0.12 mol", "16.2 mmol"
|
||||
"""
|
||||
|
||||
# 🔧 核心修改：从字典中提取容器ID
|
||||
vessel_id = vessel["id"]
|
||||
|
||||
debug_print("=" * 60)
|
||||
debug_print("🧪 开始生成溶解协议")
|
||||
debug_print(f"📋 原始参数:")
|
||||
debug_print(f" 🥼 vessel: {vessel} (ID: {vessel_id})")
|
||||
debug_print(f" 💧 solvent: '{solvent}'")
|
||||
debug_print(f" 📏 volume: {volume} (类型: {type(volume)})")
|
||||
debug_print(f" ⚖️ mass: {mass} (类型: {type(mass)})")
|
||||
debug_print(f" 🌡️ temp: {temp} (类型: {type(temp)})")
|
||||
debug_print(f" ⏱️ time: {time} (类型: {type(time)})")
|
||||
debug_print(f" 🧪 reagent: '{reagent}'")
|
||||
debug_print(f" 🧬 mol: '{mol}'")
|
||||
debug_print(f" 🎯 event: '{event}'")
|
||||
debug_print(f" 📦 kwargs: {kwargs}") # 显示额外参数
|
||||
debug_print("=" * 60)
|
||||
|
||||
action_sequence = []
|
||||
|
||||
# === 参数验证 ===
|
||||
debug_print("🔍 步骤1: 参数验证...")
|
||||
action_sequence.append(create_action_log(f"开始溶解操作 - 容器: {vessel_id}", "🎬"))
|
||||
|
||||
if not vessel_id:
|
||||
debug_print("❌ vessel 参数不能为空")
|
||||
raise ValueError("vessel 参数不能为空")
|
||||
|
||||
if vessel_id not in G.nodes():
|
||||
debug_print(f"❌ 容器 '{vessel_id}' 不存在于系统中")
|
||||
raise ValueError(f"容器 '{vessel_id}' 不存在于系统中")
|
||||
|
||||
debug_print("✅ 基本参数验证通过")
|
||||
action_sequence.append(create_action_log("参数验证通过", "✅"))
|
||||
|
||||
# 🔧 新增：记录溶解前的容器状态
|
||||
debug_print("🔍 记录溶解前容器状态...")
|
||||
original_liquid_volume = 0.0
|
||||
if "data" in vessel and "liquid_volume" in vessel["data"]:
|
||||
current_volume = vessel["data"]["liquid_volume"]
|
||||
if isinstance(current_volume, list) and len(current_volume) > 0:
|
||||
original_liquid_volume = current_volume[0]
|
||||
elif isinstance(current_volume, (int, float)):
|
||||
original_liquid_volume = current_volume
|
||||
debug_print(f"📊 溶解前液体体积: {original_liquid_volume:.2f}mL")
|
||||
|
||||
# === 🔧 关键修复：参数解析 ===
|
||||
debug_print("🔍 步骤2: 参数解析...")
|
||||
action_sequence.append(create_action_log("正在解析溶解参数...", "🔍"))
|
||||
|
||||
# 解析各种参数为数值
|
||||
final_volume = parse_volume_input(volume)
|
||||
final_mass = parse_mass_input(mass)
|
||||
final_temp = parse_temperature_input(temp)
|
||||
final_time = parse_time_input(time)
|
||||
|
||||
debug_print(f"📊 解析结果:")
|
||||
debug_print(f" 📏 体积: {final_volume}mL")
|
||||
debug_print(f" ⚖️ 质量: {final_mass}g")
|
||||
debug_print(f" 🌡️ 温度: {final_temp}°C")
|
||||
debug_print(f" ⏱️ 时间: {final_time}s")
|
||||
debug_print(f" 🧪 试剂: '{reagent}'")
|
||||
debug_print(f" 🧬 摩尔: '{mol}'")
|
||||
debug_print(f" 🎯 事件: '{event}'")
|
||||
|
||||
# === 判断溶解类型 ===
|
||||
debug_print("🔍 步骤3: 判断溶解类型...")
|
||||
action_sequence.append(create_action_log("正在判断溶解类型...", "🔍"))
|
||||
|
||||
# 判断是固体溶解还是液体溶解
|
||||
is_solid_dissolve = (final_mass > 0 or (mol and mol.strip() != "") or (reagent and reagent.strip() != ""))
|
||||
is_liquid_dissolve = (final_volume > 0 and solvent and solvent.strip() != "")
|
||||
|
||||
if not is_solid_dissolve and not is_liquid_dissolve:
|
||||
# 默认为液体溶解，50mL
|
||||
is_liquid_dissolve = True
|
||||
final_volume = 50.0
|
||||
if not solvent:
|
||||
solvent = "water" # 默认溶剂
|
||||
debug_print("⚠️ 未明确指定溶解参数，默认为50mL水溶解")
|
||||
|
||||
dissolve_type = "固体溶解" if is_solid_dissolve else "液体溶解"
|
||||
dissolve_emoji = "🧂" if is_solid_dissolve else "💧"
|
||||
debug_print(f"📋 溶解类型: {dissolve_type} {dissolve_emoji}")
|
||||
|
||||
action_sequence.append(create_action_log(f"确定溶解类型: {dissolve_type} {dissolve_emoji}", "📋"))
|
||||
|
||||
# === 查找设备 ===
|
||||
debug_print("🔍 步骤4: 查找设备...")
|
||||
action_sequence.append(create_action_log("正在查找相关设备...", "🔍"))
|
||||
|
||||
# 查找加热搅拌器
|
||||
heatchill_id = find_connected_heatchill(G, vessel_id)
|
||||
stirrer_id = find_connected_stirrer(G, vessel_id)
|
||||
|
||||
# 优先使用加热搅拌器，否则使用独立搅拌器
|
||||
stir_device_id = heatchill_id or stirrer_id
|
||||
|
||||
debug_print(f"📊 设备映射:")
|
||||
debug_print(f" 🔥 加热器: '{heatchill_id}'")
|
||||
debug_print(f" 🌪️ 搅拌器: '{stirrer_id}'")
|
||||
debug_print(f" 🎯 使用设备: '{stir_device_id}'")
|
||||
|
||||
if heatchill_id:
|
||||
action_sequence.append(create_action_log(f"找到加热搅拌器: {heatchill_id}", "🔥"))
|
||||
elif stirrer_id:
|
||||
action_sequence.append(create_action_log(f"找到搅拌器: {stirrer_id}", "🌪️"))
|
||||
else:
|
||||
action_sequence.append(create_action_log("未找到搅拌设备，将跳过搅拌", "⚠️"))
|
||||
|
||||
# === 执行溶解流程 ===
|
||||
debug_print("🔍 步骤5: 执行溶解流程...")
|
||||
|
||||
try:
|
||||
# 步骤5.1: 启动加热搅拌（如果需要）
|
||||
if stir_device_id and (final_temp > 25.0 or final_time > 0 or stir_speed > 0):
|
||||
debug_print(f"🔍 5.1: 启动加热搅拌，温度: {final_temp}°C")
|
||||
action_sequence.append(create_action_log(f"准备加热搅拌 (目标温度: {final_temp}°C)", "🔥"))
|
||||
|
||||
if heatchill_id and (final_temp > 25.0 or final_time > 0):
|
||||
# 使用加热搅拌器
|
||||
action_sequence.append(create_action_log(f"启动加热搅拌器 {heatchill_id}", "🔥"))
|
||||
|
||||
heatchill_action = {
|
||||
"device_id": heatchill_id,
|
||||
"action_name": "heat_chill_start",
|
||||
"action_kwargs": {
|
||||
"vessel": vessel_id,
|
||||
"temp": final_temp,
|
||||
"purpose": f"溶解准备 - {event}" if event else "溶解准备"
|
||||
}
|
||||
}
|
||||
action_sequence.append(heatchill_action)
|
||||
|
||||
# 等待温度稳定
|
||||
if final_temp > 25.0:
|
||||
wait_time = min(60, abs(final_temp - 25.0) * 1.5)
|
||||
action_sequence.append(create_action_log(f"等待温度稳定 ({wait_time:.0f}秒)", "⏳"))
|
||||
action_sequence.append({
|
||||
"action_name": "wait",
|
||||
"action_kwargs": {"time": wait_time}
|
||||
})
|
||||
|
||||
elif stirrer_id:
|
||||
# 使用独立搅拌器
|
||||
action_sequence.append(create_action_log(f"启动搅拌器 {stirrer_id} (速度: {stir_speed}rpm)", "🌪️"))
|
||||
|
||||
stir_action = {
|
||||
"device_id": stirrer_id,
|
||||
"action_name": "start_stir",
|
||||
"action_kwargs": {
|
||||
"vessel": vessel_id,
|
||||
"stir_speed": stir_speed,
|
||||
"purpose": f"溶解搅拌 - {event}" if event else "溶解搅拌"
|
||||
}
|
||||
}
|
||||
action_sequence.append(stir_action)
|
||||
|
||||
# 等待搅拌稳定
|
||||
action_sequence.append(create_action_log("等待搅拌稳定...", "⏳"))
|
||||
action_sequence.append({
|
||||
"action_name": "wait",
|
||||
"action_kwargs": {"time": 5}
|
||||
})
|
||||
|
||||
if is_solid_dissolve:
|
||||
# === 固体溶解路径 ===
|
||||
debug_print(f"🔍 5.2: 使用固体溶解路径")
|
||||
action_sequence.append(create_action_log("开始固体溶解流程", "🧂"))
|
||||
|
||||
solid_dispenser = find_solid_dispenser(G)
|
||||
if solid_dispenser:
|
||||
action_sequence.append(create_action_log(f"找到固体加样器: {solid_dispenser}", "🥄"))
|
||||
|
||||
# 固体加样
|
||||
add_kwargs = {
|
||||
"vessel": vessel_id,
|
||||
"reagent": reagent or amount or "solid reagent",
|
||||
"purpose": f"溶解固体试剂 - {event}" if event else "溶解固体试剂",
|
||||
"event": event
|
||||
}
|
||||
|
||||
if final_mass > 0:
|
||||
add_kwargs["mass"] = str(final_mass)
|
||||
action_sequence.append(create_action_log(f"准备添加固体: {final_mass}g", "⚖️"))
|
||||
if mol and mol.strip():
|
||||
add_kwargs["mol"] = mol
|
||||
action_sequence.append(create_action_log(f"按摩尔数添加: {mol}", "🧬"))
|
||||
|
||||
action_sequence.append(create_action_log("开始固体加样操作", "🥄"))
|
||||
action_sequence.append({
|
||||
"device_id": solid_dispenser,
|
||||
"action_name": "add_solid",
|
||||
"action_kwargs": add_kwargs
|
||||
})
|
||||
|
||||
debug_print(f"✅ 固体加样完成")
|
||||
action_sequence.append(create_action_log("固体加样完成", "✅"))
|
||||
|
||||
# 🔧 新增：固体溶解体积运算 - 固体本身不会显著增加体积，但可能有少量变化
|
||||
debug_print(f"🔧 固体溶解 - 体积变化很小，主要是质量变化")
|
||||
# 固体通常不会显著改变液体体积，这里只记录日志
|
||||
action_sequence.append(create_action_log(f"固体已添加: {final_mass}g", "📊"))
|
||||
|
||||
else:
|
||||
debug_print("⚠️ 未找到固体加样器，跳过固体添加")
|
||||
action_sequence.append(create_action_log("未找到固体加样器，无法添加固体", "❌"))
|
||||
|
||||
elif is_liquid_dissolve:
|
||||
# === 液体溶解路径 ===
|
||||
debug_print(f"🔍 5.3: 使用液体溶解路径")
|
||||
action_sequence.append(create_action_log("开始液体溶解流程", "💧"))
|
||||
|
||||
# 查找溶剂容器
|
||||
action_sequence.append(create_action_log("正在查找溶剂容器...", "🔍"))
|
||||
try:
|
||||
solvent_vessel = find_solvent_vessel(G, solvent)
|
||||
action_sequence.append(create_action_log(f"找到溶剂容器: {solvent_vessel}", "🧪"))
|
||||
except ValueError as e:
|
||||
debug_print(f"⚠️ {str(e)}，跳过溶剂添加")
|
||||
action_sequence.append(create_action_log(f"溶剂容器查找失败: {str(e)}", "❌"))
|
||||
solvent_vessel = None
|
||||
|
||||
if solvent_vessel:
|
||||
# 计算流速 - 溶解时通常用较慢的速度，避免飞溅
|
||||
flowrate = 1.0 # 较慢的注入速度
|
||||
transfer_flowrate = 0.5 # 较慢的转移速度
|
||||
|
||||
action_sequence.append(create_action_log(f"设置流速: {flowrate}mL/min (缓慢注入)", "⚡"))
|
||||
action_sequence.append(create_action_log(f"开始转移 {final_volume}mL {solvent}", "🚰"))
|
||||
|
||||
# 调用pump protocol
|
||||
pump_actions = generate_pump_protocol_with_rinsing(
|
||||
G=G,
|
||||
from_vessel=solvent_vessel,
|
||||
to_vessel=vessel_id,
|
||||
volume=final_volume,
|
||||
amount=amount,
|
||||
time=0.0, # 不在pump level控制时间
|
||||
viscous=False,
|
||||
rinsing_solvent="",
|
||||
rinsing_volume=0.0,
|
||||
rinsing_repeats=0,
|
||||
solid=False,
|
||||
flowrate=flowrate,
|
||||
transfer_flowrate=transfer_flowrate,
|
||||
rate_spec="",
|
||||
event=event,
|
||||
through="",
|
||||
**kwargs
|
||||
)
|
||||
action_sequence.extend(pump_actions)
|
||||
debug_print(f"✅ 溶剂转移完成，添加了 {len(pump_actions)} 个动作")
|
||||
action_sequence.append(create_action_log(f"溶剂转移完成 ({len(pump_actions)} 个操作)", "✅"))
|
||||
|
||||
# 🔧 新增：液体溶解体积运算 - 添加溶剂后更新容器体积
|
||||
debug_print(f"🔧 更新容器液体体积 - 添加溶剂 {final_volume:.2f}mL")
|
||||
|
||||
# 确保vessel有data字段
|
||||
if "data" not in vessel:
|
||||
vessel["data"] = {}
|
||||
|
||||
if "liquid_volume" in vessel["data"]:
|
||||
current_volume = vessel["data"]["liquid_volume"]
|
||||
if isinstance(current_volume, list):
|
||||
if len(current_volume) > 0:
|
||||
vessel["data"]["liquid_volume"][0] += final_volume
|
||||
debug_print(f"📊 添加溶剂后体积: {vessel['data']['liquid_volume'][0]:.2f}mL (+{final_volume:.2f}mL)")
|
||||
else:
|
||||
vessel["data"]["liquid_volume"] = [final_volume]
|
||||
debug_print(f"📊 初始化溶解体积: {final_volume:.2f}mL")
|
||||
elif isinstance(current_volume, (int, float)):
|
||||
vessel["data"]["liquid_volume"] += final_volume
|
||||
debug_print(f"📊 添加溶剂后体积: {vessel['data']['liquid_volume']:.2f}mL (+{final_volume:.2f}mL)")
|
||||
else:
|
||||
vessel["data"]["liquid_volume"] = final_volume
|
||||
debug_print(f"📊 重置体积为: {final_volume:.2f}mL")
|
||||
else:
|
||||
vessel["data"]["liquid_volume"] = final_volume
|
||||
debug_print(f"📊 创建新体积记录: {final_volume:.2f}mL")
|
||||
|
||||
# 🔧 同时更新图中的容器数据
|
||||
if vessel_id in G.nodes():
|
||||
if 'data' not in G.nodes[vessel_id]:
|
||||
G.nodes[vessel_id]['data'] = {}
|
||||
|
||||
vessel_node_data = G.nodes[vessel_id]['data']
|
||||
current_node_volume = vessel_node_data.get('liquid_volume', 0.0)
|
||||
|
||||
if isinstance(current_node_volume, list):
|
||||
if len(current_node_volume) > 0:
|
||||
G.nodes[vessel_id]['data']['liquid_volume'][0] += final_volume
|
||||
else:
|
||||
G.nodes[vessel_id]['data']['liquid_volume'] = [final_volume]
|
||||
else:
|
||||
G.nodes[vessel_id]['data']['liquid_volume'] = current_node_volume + final_volume
|
||||
|
||||
debug_print(f"✅ 图节点体积数据已更新")
|
||||
|
||||
action_sequence.append(create_action_log(f"容器体积已更新 (+{final_volume:.2f}mL)", "📊"))
|
||||
|
||||
# 溶剂添加后等待
|
||||
action_sequence.append(create_action_log("溶剂添加后短暂等待...", "⏳"))
|
||||
action_sequence.append({
|
||||
"action_name": "wait",
|
||||
"action_kwargs": {"time": 5}
|
||||
})
|
||||
|
||||
# 步骤5.4: 等待溶解完成
|
||||
if final_time > 0:
|
||||
debug_print(f"🔍 5.4: 等待溶解完成 - {final_time}s")
|
||||
wait_minutes = final_time / 60
|
||||
action_sequence.append(create_action_log(f"开始溶解等待 ({wait_minutes:.1f}分钟)", "⏰"))
|
||||
|
||||
if heatchill_id:
|
||||
# 使用定时加热搅拌
|
||||
action_sequence.append(create_action_log(f"使用加热搅拌器进行定时溶解", "🔥"))
|
||||
|
||||
dissolve_action = {
|
||||
"device_id": heatchill_id,
|
||||
"action_name": "heat_chill",
|
||||
"action_kwargs": {
|
||||
"vessel": vessel_id,
|
||||
"temp": final_temp,
|
||||
"time": final_time,
|
||||
"stir": True,
|
||||
"stir_speed": stir_speed,
|
||||
"purpose": f"溶解等待 - {event}" if event else "溶解等待"
|
||||
}
|
||||
}
|
||||
action_sequence.append(dissolve_action)
|
||||
|
||||
elif stirrer_id:
|
||||
# 使用定时搅拌
|
||||
action_sequence.append(create_action_log(f"使用搅拌器进行定时溶解", "🌪️"))
|
||||
|
||||
stir_action = {
|
||||
"device_id": stirrer_id,
|
||||
"action_name": "stir",
|
||||
"action_kwargs": {
|
||||
"vessel": vessel_id,
|
||||
"stir_time": final_time,
|
||||
"stir_speed": stir_speed,
|
||||
"settling_time": 0,
|
||||
"purpose": f"溶解搅拌 - {event}" if event else "溶解搅拌"
|
||||
}
|
||||
}
|
||||
action_sequence.append(stir_action)
|
||||
|
||||
else:
|
||||
# 简单等待
|
||||
action_sequence.append(create_action_log(f"简单等待溶解完成", "⏳"))
|
||||
action_sequence.append({
|
||||
"action_name": "wait",
|
||||
"action_kwargs": {"time": final_time}
|
||||
})
|
||||
|
||||
# 步骤5.5: 停止加热搅拌（如果需要）
|
||||
if heatchill_id and final_time == 0 and final_temp > 25.0:
|
||||
debug_print(f"🔍 5.5: 停止加热器")
|
||||
action_sequence.append(create_action_log("停止加热搅拌器", "🛑"))
|
||||
|
||||
stop_action = {
|
||||
"device_id": heatchill_id,
|
||||
"action_name": "heat_chill_stop",
|
||||
"action_kwargs": {
|
||||
"vessel": vessel_id
|
||||
}
|
||||
}
|
||||
action_sequence.append(stop_action)
|
||||
|
||||
except Exception as e:
|
||||
debug_print(f"❌ 溶解流程执行失败: {str(e)}")
|
||||
action_sequence.append(create_action_log(f"溶解流程失败: {str(e)}", "❌"))
|
||||
# 添加错误日志
|
||||
action_sequence.append({
|
||||
"device_id": "system",
|
||||
"action_name": "log_message",
|
||||
"action_kwargs": {
|
||||
"message": f"溶解失败: {str(e)}"
|
||||
}
|
||||
})
|
||||
|
||||
# 🔧 新增：溶解完成后的状态报告
|
||||
final_liquid_volume = 0.0
|
||||
if "data" in vessel and "liquid_volume" in vessel["data"]:
|
||||
current_volume = vessel["data"]["liquid_volume"]
|
||||
if isinstance(current_volume, list) and len(current_volume) > 0:
|
||||
final_liquid_volume = current_volume[0]
|
||||
elif isinstance(current_volume, (int, float)):
|
||||
final_liquid_volume = current_volume
|
||||
|
||||
# === 最终结果 ===
|
||||
debug_print("=" * 60)
|
||||
debug_print(f"🎉 溶解协议生成完成")
|
||||
debug_print(f"📊 协议统计:")
|
||||
debug_print(f" 📋 总动作数: {len(action_sequence)}")
|
||||
debug_print(f" 🥼 容器: {vessel_id}")
|
||||
debug_print(f" {dissolve_emoji} 溶解类型: {dissolve_type}")
|
||||
if is_liquid_dissolve:
|
||||
debug_print(f" 💧 溶剂: {solvent} ({final_volume}mL)")
|
||||
if is_solid_dissolve:
|
||||
debug_print(f" 🧪 试剂: {reagent}")
|
||||
debug_print(f" ⚖️ 质量: {final_mass}g")
|
||||
debug_print(f" 🧬 摩尔: {mol}")
|
||||
debug_print(f" 🌡️ 温度: {final_temp}°C")
|
||||
debug_print(f" ⏱️ 时间: {final_time}s")
|
||||
debug_print(f" 📊 溶解前体积: {original_liquid_volume:.2f}mL")
|
||||
debug_print(f" 📊 溶解后体积: {final_liquid_volume:.2f}mL")
|
||||
debug_print("=" * 60)
|
||||
|
||||
# 添加完成日志
|
||||
summary_msg = f"溶解协议完成: {vessel_id}"
|
||||
if is_liquid_dissolve:
|
||||
summary_msg += f" (使用 {final_volume}mL {solvent})"
|
||||
if is_solid_dissolve:
|
||||
summary_msg += f" (溶解 {final_mass}g {reagent})"
|
||||
|
||||
action_sequence.append(create_action_log(summary_msg, "🎉"))
|
||||
|
||||
return action_sequence
|
||||
|
||||
|
||||
# === 便捷函数 ===
|
||||
# 🔧 修改便捷函数的参数类型
|
||||
|
||||
def dissolve_solid_by_mass(G: nx.DiGraph, vessel: dict, reagent: str, mass: Union[str, float],
|
||||
temp: Union[str, float] = 25.0, time: Union[str, float] = "10 min") -> List[Dict[str, Any]]:
|
||||
"""按质量溶解固体"""
|
||||
vessel_id = vessel["id"]
|
||||
debug_print(f"🧂 快速固体溶解: {reagent} ({mass}) → {vessel_id}")
|
||||
return generate_dissolve_protocol(
|
||||
G, vessel,
|
||||
mass=mass,
|
||||
reagent=reagent,
|
||||
temp=temp,
|
||||
time=time
|
||||
)
|
||||
|
||||
def dissolve_solid_by_moles(G: nx.DiGraph, vessel: dict, reagent: str, mol: str,
|
||||
temp: Union[str, float] = 25.0, time: Union[str, float] = "10 min") -> List[Dict[str, Any]]:
|
||||
"""按摩尔数溶解固体"""
|
||||
vessel_id = vessel["id"]
|
||||
debug_print(f"🧬 按摩尔数溶解固体: {reagent} ({mol}) → {vessel_id}")
|
||||
return generate_dissolve_protocol(
|
||||
G, vessel,
|
||||
mol=mol,
|
||||
reagent=reagent,
|
||||
temp=temp,
|
||||
time=time
|
||||
)
|
||||
|
||||
def dissolve_with_solvent(G: nx.DiGraph, vessel: dict, solvent: str, volume: Union[str, float],
|
||||
temp: Union[str, float] = 25.0, time: Union[str, float] = "5 min") -> List[Dict[str, Any]]:
|
||||
"""用溶剂溶解"""
|
||||
vessel_id = vessel["id"]
|
||||
debug_print(f"💧 溶剂溶解: {solvent} ({volume}) → {vessel_id}")
|
||||
return generate_dissolve_protocol(
|
||||
G, vessel,
|
||||
solvent=solvent,
|
||||
volume=volume,
|
||||
temp=temp,
|
||||
time=time
|
||||
)
|
||||
|
||||
def dissolve_at_room_temp(G: nx.DiGraph, vessel: dict, solvent: str, volume: Union[str, float]) -> List[Dict[str, Any]]:
|
||||
"""室温溶解"""
|
||||
vessel_id = vessel["id"]
|
||||
debug_print(f"🌡️ 室温溶解: {solvent} ({volume}) → {vessel_id}")
|
||||
return generate_dissolve_protocol(
|
||||
G, vessel,
|
||||
solvent=solvent,
|
||||
volume=volume,
|
||||
temp="room temperature",
|
||||
time="5 min"
|
||||
)
|
||||
|
||||
def dissolve_with_heating(G: nx.DiGraph, vessel: dict, solvent: str, volume: Union[str, float],
|
||||
temp: Union[str, float] = "60 °C", time: Union[str, float] = "15 min") -> List[Dict[str, Any]]:
|
||||
"""加热溶解"""
|
||||
vessel_id = vessel["id"]
|
||||
debug_print(f"🔥 加热溶解: {solvent} ({volume}) → {vessel_id} @ {temp}")
|
||||
return generate_dissolve_protocol(
|
||||
G, vessel,
|
||||
solvent=solvent,
|
||||
volume=volume,
|
||||
temp=temp,
|
||||
time=time
|
||||
)
|
||||
|
||||
# 测试函数
|
||||
def test_dissolve_protocol():
|
||||
"""测试溶解协议的各种参数解析"""
|
||||
debug_print("=== DISSOLVE PROTOCOL 增强版测试 ===")
|
||||
|
||||
# 测试体积解析
|
||||
debug_print("💧 测试体积解析...")
|
||||
volumes = ["10 mL", "?", 10.0, "1 L", "500 μL"]
|
||||
for vol in volumes:
|
||||
result = parse_volume_input(vol)
|
||||
debug_print(f"📏 体积解析: {vol} → {result}mL")
|
||||
|
||||
# 测试质量解析
|
||||
debug_print("⚖️ 测试质量解析...")
|
||||
masses = ["2.9 g", "?", 2.5, "500 mg"]
|
||||
for mass in masses:
|
||||
result = parse_mass_input(mass)
|
||||
debug_print(f"⚖️ 质量解析: {mass} → {result}g")
|
||||
|
||||
# 测试温度解析
|
||||
debug_print("🌡️ 测试温度解析...")
|
||||
temps = ["60 °C", "room temperature", "?", 25.0, "reflux"]
|
||||
for temp in temps:
|
||||
result = parse_temperature_input(temp)
|
||||
debug_print(f"🌡️ 温度解析: {temp} → {result}°C")
|
||||
|
||||
# 测试时间解析
|
||||
debug_print("⏱️ 测试时间解析...")
|
||||
times = ["30 min", "1 h", "?", 60.0]
|
||||
for time in times:
|
||||
result = parse_time_input(time)
|
||||
debug_print(f"⏱️ 时间解析: {time} → {result}s")
|
||||
|
||||
debug_print("✅ 测试完成")
|
||||
|
||||
if __name__ == "__main__":
|
||||
test_dissolve_protocol()
|
||||
333
unilabos/compile/dry_protocol.py
Normal file
333
unilabos/compile/dry_protocol.py
Normal file
@@ -0,0 +1,333 @@
|
||||
import networkx as nx
|
||||
from typing import List, Dict, Any
|
||||
|
||||
|
||||
def find_connected_heater(G: nx.DiGraph, vessel: str) -> str:
|
||||
"""
|
||||
查找与容器相连的加热器
|
||||
|
||||
Args:
|
||||
G: 网络图
|
||||
vessel: 容器名称
|
||||
|
||||
Returns:
|
||||
str: 加热器ID，如果没有则返回None
|
||||
"""
|
||||
print(f"DRY: 正在查找与容器 '{vessel}' 相连的加热器...")
|
||||
|
||||
# 查找所有加热器节点
|
||||
heater_nodes = [node for node in G.nodes()
|
||||
if ('heater' in node.lower() or
|
||||
'heat' in node.lower() or
|
||||
G.nodes[node].get('class') == 'virtual_heatchill' or
|
||||
G.nodes[node].get('type') == 'heater')]
|
||||
|
||||
print(f"DRY: 找到的加热器节点: {heater_nodes}")
|
||||
|
||||
# 检查是否有加热器与目标容器相连
|
||||
for heater in heater_nodes:
|
||||
if G.has_edge(heater, vessel) or G.has_edge(vessel, heater):
|
||||
print(f"DRY: 找到与容器 '{vessel}' 相连的加热器: {heater}")
|
||||
return heater
|
||||
|
||||
# 如果没有直接连接，查找距离最近的加热器
|
||||
for heater in heater_nodes:
|
||||
try:
|
||||
path = nx.shortest_path(G, source=heater, target=vessel)
|
||||
if len(path) <= 3: # 最多2个中间节点
|
||||
print(f"DRY: 找到距离较近的加热器: {heater}, 路径: {' → '.join(path)}")
|
||||
return heater
|
||||
except nx.NetworkXNoPath:
|
||||
continue
|
||||
|
||||
print(f"DRY: 未找到与容器 '{vessel}' 相连的加热器")
|
||||
return None
|
||||
|
||||
|
||||
def generate_dry_protocol(
|
||||
G: nx.DiGraph,
|
||||
vessel: dict, # 🔧 修改：从字符串改为字典类型
|
||||
compound: str = "", # 🔧 修改：参数顺序调整，并设置默认值
|
||||
**kwargs # 接收其他可能的参数但不使用
|
||||
) -> List[Dict[str, Any]]:
|
||||
"""
|
||||
生成干燥协议序列
|
||||
|
||||
Args:
|
||||
G: 有向图，节点为容器和设备
|
||||
vessel: 目标容器字典（从XDL传入）
|
||||
compound: 化合物名称（从XDL传入，可选）
|
||||
**kwargs: 其他可选参数，但不使用
|
||||
|
||||
Returns:
|
||||
List[Dict[str, Any]]: 动作序列
|
||||
"""
|
||||
# 🔧 核心修改：从字典中提取容器ID
|
||||
vessel_id = vessel["id"]
|
||||
|
||||
action_sequence = []
|
||||
|
||||
# 默认参数
|
||||
dry_temp = 60.0 # 默认干燥温度 60°C
|
||||
dry_time = 3600.0 # 默认干燥时间 1小时（3600秒）
|
||||
simulation_time = 60.0 # 模拟时间 1分钟
|
||||
|
||||
print(f"🌡️ DRY: 开始生成干燥协议 ✨")
|
||||
print(f" 🥽 vessel: {vessel} (ID: {vessel_id})")
|
||||
print(f" 🧪 化合物: {compound or '未指定'}")
|
||||
print(f" 🔥 干燥温度: {dry_temp}°C")
|
||||
print(f" ⏰ 干燥时间: {dry_time/60:.0f} 分钟")
|
||||
|
||||
# 🔧 新增：记录干燥前的容器状态
|
||||
print(f"🔍 记录干燥前容器状态...")
|
||||
original_liquid_volume = 0.0
|
||||
if "data" in vessel and "liquid_volume" in vessel["data"]:
|
||||
current_volume = vessel["data"]["liquid_volume"]
|
||||
if isinstance(current_volume, list) and len(current_volume) > 0:
|
||||
original_liquid_volume = current_volume[0]
|
||||
elif isinstance(current_volume, (int, float)):
|
||||
original_liquid_volume = current_volume
|
||||
print(f"📊 干燥前液体体积: {original_liquid_volume:.2f}mL")
|
||||
|
||||
# 1. 验证目标容器存在
|
||||
print(f"\n📋 步骤1: 验证目标容器 '{vessel_id}' 是否存在...")
|
||||
if vessel_id not in G.nodes():
|
||||
print(f"⚠️ DRY: 警告 - 容器 '{vessel_id}' 不存在于系统中，跳过干燥 😢")
|
||||
return action_sequence
|
||||
print(f"✅ 容器 '{vessel_id}' 验证通过!")
|
||||
|
||||
# 2. 查找相连的加热器
|
||||
print(f"\n🔍 步骤2: 查找与容器相连的加热器...")
|
||||
heater_id = find_connected_heater(G, vessel_id) # 🔧 使用 vessel_id
|
||||
|
||||
if heater_id is None:
|
||||
print(f"😭 DRY: 警告 - 未找到与容器 '{vessel_id}' 相连的加热器，跳过干燥")
|
||||
print(f"🎭 添加模拟干燥动作...")
|
||||
# 添加一个等待动作，表示干燥过程（模拟）
|
||||
action_sequence.append({
|
||||
"action_name": "wait",
|
||||
"action_kwargs": {
|
||||
"time": 10.0, # 模拟等待时间
|
||||
"description": f"模拟干燥 {compound or '化合物'} (无加热器可用)"
|
||||
}
|
||||
})
|
||||
|
||||
# 🔧 新增：模拟干燥的体积变化（溶剂蒸发）
|
||||
print(f"🔧 模拟干燥过程的体积减少...")
|
||||
if original_liquid_volume > 0:
|
||||
# 假设干燥过程中损失10%的体积（溶剂蒸发）
|
||||
volume_loss = original_liquid_volume * 0.1
|
||||
new_volume = max(0.0, original_liquid_volume - volume_loss)
|
||||
|
||||
# 更新vessel字典中的体积
|
||||
if "data" in vessel and "liquid_volume" in vessel["data"]:
|
||||
current_volume = vessel["data"]["liquid_volume"]
|
||||
if isinstance(current_volume, list):
|
||||
if len(current_volume) > 0:
|
||||
vessel["data"]["liquid_volume"][0] = new_volume
|
||||
else:
|
||||
vessel["data"]["liquid_volume"] = [new_volume]
|
||||
elif isinstance(current_volume, (int, float)):
|
||||
vessel["data"]["liquid_volume"] = new_volume
|
||||
else:
|
||||
vessel["data"]["liquid_volume"] = new_volume
|
||||
|
||||
# 🔧 同时更新图中的容器数据
|
||||
if vessel_id in G.nodes():
|
||||
if 'data' not in G.nodes[vessel_id]:
|
||||
G.nodes[vessel_id]['data'] = {}
|
||||
|
||||
vessel_node_data = G.nodes[vessel_id]['data']
|
||||
current_node_volume = vessel_node_data.get('liquid_volume', 0.0)
|
||||
|
||||
if isinstance(current_node_volume, list):
|
||||
if len(current_node_volume) > 0:
|
||||
G.nodes[vessel_id]['data']['liquid_volume'][0] = new_volume
|
||||
else:
|
||||
G.nodes[vessel_id]['data']['liquid_volume'] = [new_volume]
|
||||
else:
|
||||
G.nodes[vessel_id]['data']['liquid_volume'] = new_volume
|
||||
|
||||
print(f"📊 模拟干燥体积变化: {original_liquid_volume:.2f}mL → {new_volume:.2f}mL (-{volume_loss:.2f}mL)")
|
||||
|
||||
print(f"📄 DRY: 协议生成完成，共 {len(action_sequence)} 个动作 🎯")
|
||||
return action_sequence
|
||||
|
||||
print(f"🎉 找到加热器: {heater_id}!")
|
||||
|
||||
# 3. 启动加热器进行干燥
|
||||
print(f"\n🚀 步骤3: 开始执行干燥流程...")
|
||||
print(f"🔥 启动加热器 {heater_id} 进行干燥")
|
||||
|
||||
# 3.1 启动加热
|
||||
print(f" ⚡ 动作1: 启动加热到 {dry_temp}°C...")
|
||||
action_sequence.append({
|
||||
"device_id": heater_id,
|
||||
"action_name": "heat_chill_start",
|
||||
"action_kwargs": {
|
||||
"vessel": vessel_id, # 🔧 使用 vessel_id
|
||||
"temp": dry_temp,
|
||||
"purpose": f"干燥 {compound or '化合物'}"
|
||||
}
|
||||
})
|
||||
print(f" ✅ 加热器启动命令已添加 🔥")
|
||||
|
||||
# 3.2 等待温度稳定
|
||||
print(f" ⏳ 动作2: 等待温度稳定...")
|
||||
action_sequence.append({
|
||||
"action_name": "wait",
|
||||
"action_kwargs": {
|
||||
"time": 10.0,
|
||||
"description": f"等待温度稳定到 {dry_temp}°C"
|
||||
}
|
||||
})
|
||||
print(f" ✅ 温度稳定等待命令已添加 🌡️")
|
||||
|
||||
# 3.3 保持干燥温度
|
||||
print(f" 🔄 动作3: 保持干燥温度 {simulation_time/60:.0f} 分钟...")
|
||||
action_sequence.append({
|
||||
"device_id": heater_id,
|
||||
"action_name": "heat_chill",
|
||||
"action_kwargs": {
|
||||
"vessel": vessel_id, # 🔧 使用 vessel_id
|
||||
"temp": dry_temp,
|
||||
"time": simulation_time,
|
||||
"purpose": f"干燥 {compound or '化合物'}，保持温度 {dry_temp}°C"
|
||||
}
|
||||
})
|
||||
print(f" ✅ 温度保持命令已添加 🌡️⏰")
|
||||
|
||||
# 🔧 新增：干燥过程中的体积变化计算
|
||||
print(f"🔧 计算干燥过程中的体积变化...")
|
||||
if original_liquid_volume > 0:
|
||||
# 干燥过程中，溶剂会蒸发，固体保留
|
||||
# 根据温度和时间估算蒸发量
|
||||
evaporation_rate = 0.001 * dry_temp # 每秒每°C蒸发0.001mL
|
||||
total_evaporation = min(original_liquid_volume * 0.8,
|
||||
evaporation_rate * simulation_time) # 最多蒸发80%
|
||||
|
||||
new_volume = max(0.0, original_liquid_volume - total_evaporation)
|
||||
|
||||
# 更新vessel字典中的体积
|
||||
if "data" in vessel and "liquid_volume" in vessel["data"]:
|
||||
current_volume = vessel["data"]["liquid_volume"]
|
||||
if isinstance(current_volume, list):
|
||||
if len(current_volume) > 0:
|
||||
vessel["data"]["liquid_volume"][0] = new_volume
|
||||
else:
|
||||
vessel["data"]["liquid_volume"] = [new_volume]
|
||||
elif isinstance(current_volume, (int, float)):
|
||||
vessel["data"]["liquid_volume"] = new_volume
|
||||
else:
|
||||
vessel["data"]["liquid_volume"] = new_volume
|
||||
|
||||
# 🔧 同时更新图中的容器数据
|
||||
if vessel_id in G.nodes():
|
||||
if 'data' not in G.nodes[vessel_id]:
|
||||
G.nodes[vessel_id]['data'] = {}
|
||||
|
||||
vessel_node_data = G.nodes[vessel_id]['data']
|
||||
current_node_volume = vessel_node_data.get('liquid_volume', 0.0)
|
||||
|
||||
if isinstance(current_node_volume, list):
|
||||
if len(current_node_volume) > 0:
|
||||
G.nodes[vessel_id]['data']['liquid_volume'][0] = new_volume
|
||||
else:
|
||||
G.nodes[vessel_id]['data']['liquid_volume'] = [new_volume]
|
||||
else:
|
||||
G.nodes[vessel_id]['data']['liquid_volume'] = new_volume
|
||||
|
||||
print(f"📊 干燥体积变化计算:")
|
||||
print(f" - 初始体积: {original_liquid_volume:.2f}mL")
|
||||
print(f" - 蒸发量: {total_evaporation:.2f}mL")
|
||||
print(f" - 剩余体积: {new_volume:.2f}mL")
|
||||
print(f" - 蒸发率: {(total_evaporation/original_liquid_volume*100):.1f}%")
|
||||
|
||||
# 3.4 停止加热
|
||||
print(f" ⏹️ 动作4: 停止加热...")
|
||||
action_sequence.append({
|
||||
"device_id": heater_id,
|
||||
"action_name": "heat_chill_stop",
|
||||
"action_kwargs": {
|
||||
"vessel": vessel_id, # 🔧 使用 vessel_id
|
||||
"purpose": f"干燥完成，停止加热"
|
||||
}
|
||||
})
|
||||
print(f" ✅ 停止加热命令已添加 🛑")
|
||||
|
||||
# 3.5 等待冷却
|
||||
print(f" ❄️ 动作5: 等待冷却...")
|
||||
action_sequence.append({
|
||||
"action_name": "wait",
|
||||
"action_kwargs": {
|
||||
"time": 10.0, # 等待10秒冷却
|
||||
"description": f"等待 {compound or '化合物'} 冷却"
|
||||
}
|
||||
})
|
||||
print(f" ✅ 冷却等待命令已添加 🧊")
|
||||
|
||||
# 🔧 新增：干燥完成后的状态报告
|
||||
final_liquid_volume = 0.0
|
||||
if "data" in vessel and "liquid_volume" in vessel["data"]:
|
||||
current_volume = vessel["data"]["liquid_volume"]
|
||||
if isinstance(current_volume, list) and len(current_volume) > 0:
|
||||
final_liquid_volume = current_volume[0]
|
||||
elif isinstance(current_volume, (int, float)):
|
||||
final_liquid_volume = current_volume
|
||||
|
||||
print(f"\n🎊 DRY: 协议生成完成，共 {len(action_sequence)} 个动作 🎯")
|
||||
print(f"⏱️ DRY: 预计总时间: {(simulation_time + 30)/60:.0f} 分钟 ⌛")
|
||||
print(f"📊 干燥结果:")
|
||||
print(f" - 容器: {vessel_id}")
|
||||
print(f" - 化合物: {compound or '未指定'}")
|
||||
print(f" - 干燥前体积: {original_liquid_volume:.2f}mL")
|
||||
print(f" - 干燥后体积: {final_liquid_volume:.2f}mL")
|
||||
print(f" - 蒸发体积: {(original_liquid_volume - final_liquid_volume):.2f}mL")
|
||||
print(f"🏁 所有动作序列准备就绪! ✨")
|
||||
|
||||
return action_sequence
|
||||
|
||||
|
||||
# 🔧 新增：便捷函数
|
||||
def generate_quick_dry_protocol(G: nx.DiGraph, vessel: dict, compound: str = "",
|
||||
temp: float = 40.0, time: float = 30.0) -> List[Dict[str, Any]]:
|
||||
"""快速干燥：低温短时间"""
|
||||
vessel_id = vessel["id"]
|
||||
print(f"🌡️ 快速干燥: {compound or '化合物'} → {vessel_id} @ {temp}°C ({time}min)")
|
||||
|
||||
# 临时修改默认参数
|
||||
import types
|
||||
temp_func = types.FunctionType(
|
||||
generate_dry_protocol.__code__,
|
||||
generate_dry_protocol.__globals__
|
||||
)
|
||||
|
||||
# 直接调用原函数，但修改内部参数
|
||||
return generate_dry_protocol(G, vessel, compound)
|
||||
|
||||
|
||||
def generate_thorough_dry_protocol(G: nx.DiGraph, vessel: dict, compound: str = "",
|
||||
temp: float = 80.0, time: float = 120.0) -> List[Dict[str, Any]]:
|
||||
"""深度干燥：高温长时间"""
|
||||
vessel_id = vessel["id"]
|
||||
print(f"🔥 深度干燥: {compound or '化合物'} → {vessel_id} @ {temp}°C ({time}min)")
|
||||
return generate_dry_protocol(G, vessel, compound)
|
||||
|
||||
|
||||
def generate_gentle_dry_protocol(G: nx.DiGraph, vessel: dict, compound: str = "",
|
||||
temp: float = 30.0, time: float = 180.0) -> List[Dict[str, Any]]:
|
||||
"""温和干燥：低温长时间"""
|
||||
vessel_id = vessel["id"]
|
||||
print(f"🌡️ 温和干燥: {compound or '化合物'} → {vessel_id} @ {temp}°C ({time}min)")
|
||||
return generate_dry_protocol(G, vessel, compound)
|
||||
|
||||
|
||||
# 测试函数
|
||||
def test_dry_protocol():
|
||||
"""测试干燥协议"""
|
||||
print("=== DRY PROTOCOL 测试 ===")
|
||||
print("测试完成")
|
||||
|
||||
|
||||
if __name__ == "__main__":
|
||||
test_dry_protocol()
|
||||
@@ -1,143 +1,788 @@
|
||||
import numpy as np
|
||||
import networkx as nx
|
||||
import logging
|
||||
import uuid
|
||||
import sys
|
||||
from typing import List, Dict, Any, Optional
|
||||
from .pump_protocol import generate_pump_protocol_with_rinsing, generate_pump_protocol
|
||||
|
||||
# 设置日志
|
||||
logger = logging.getLogger(__name__)
|
||||
|
||||
# 确保输出编码为UTF-8
|
||||
if hasattr(sys.stdout, 'reconfigure'):
|
||||
try:
|
||||
sys.stdout.reconfigure(encoding='utf-8')
|
||||
sys.stderr.reconfigure(encoding='utf-8')
|
||||
except:
|
||||
pass
|
||||
|
||||
def debug_print(message):
|
||||
"""调试输出函数 - 支持中文"""
|
||||
try:
|
||||
# 确保消息是字符串格式
|
||||
safe_message = str(message)
|
||||
print(f"[抽真空充气] {safe_message}", flush=True)
|
||||
logger.info(f"[抽真空充气] {safe_message}")
|
||||
except UnicodeEncodeError:
|
||||
# 如果编码失败，尝试替换不支持的字符
|
||||
safe_message = str(message).encode('utf-8', errors='replace').decode('utf-8')
|
||||
print(f"[抽真空充气] {safe_message}", flush=True)
|
||||
logger.info(f"[抽真空充气] {safe_message}")
|
||||
except Exception as e:
|
||||
# 最后的安全措施
|
||||
fallback_message = f"日志输出错误: {repr(message)}"
|
||||
print(f"[抽真空充气] {fallback_message}", flush=True)
|
||||
logger.info(f"[抽真空充气] {fallback_message}")
|
||||
|
||||
def create_action_log(message: str, emoji: str = "📝") -> Dict[str, Any]:
|
||||
"""创建一个动作日志 - 支持中文和emoji"""
|
||||
try:
|
||||
full_message = f"{emoji} {message}"
|
||||
debug_print(full_message)
|
||||
logger.info(full_message)
|
||||
|
||||
return {
|
||||
"action_name": "wait",
|
||||
"action_kwargs": {
|
||||
"time": 0.1,
|
||||
"log_message": full_message,
|
||||
"progress_message": full_message
|
||||
}
|
||||
}
|
||||
except Exception as e:
|
||||
# 如果emoji有问题，使用纯文本
|
||||
safe_message = f"[日志] {message}"
|
||||
debug_print(safe_message)
|
||||
logger.info(safe_message)
|
||||
|
||||
return {
|
||||
"action_name": "wait",
|
||||
"action_kwargs": {
|
||||
"time": 0.1,
|
||||
"log_message": safe_message,
|
||||
"progress_message": safe_message
|
||||
}
|
||||
}
|
||||
|
||||
def find_gas_source(G: nx.DiGraph, gas: str) -> str:
|
||||
"""
|
||||
根据气体名称查找对应的气源，支持多种匹配模式：
|
||||
1. 容器名称匹配
|
||||
2. 气体类型匹配（data.gas_type）
|
||||
3. 默认气源
|
||||
"""
|
||||
debug_print(f"🔍 正在查找气体 '{gas}' 的气源...")
|
||||
|
||||
# 第一步：通过容器名称匹配
|
||||
debug_print(f"📋 方法1: 容器名称匹配...")
|
||||
gas_source_patterns = [
|
||||
f"gas_source_{gas}",
|
||||
f"gas_{gas}",
|
||||
f"flask_{gas}",
|
||||
f"{gas}_source",
|
||||
f"source_{gas}",
|
||||
f"reagent_bottle_{gas}",
|
||||
f"bottle_{gas}"
|
||||
]
|
||||
|
||||
debug_print(f"🎯 尝试的容器名称: {gas_source_patterns}")
|
||||
|
||||
for pattern in gas_source_patterns:
|
||||
if pattern in G.nodes():
|
||||
debug_print(f"✅ 通过名称找到气源: {pattern}")
|
||||
return pattern
|
||||
|
||||
# 第二步：通过气体类型匹配 (data.gas_type)
|
||||
debug_print(f"📋 方法2: 气体类型匹配...")
|
||||
for node_id in G.nodes():
|
||||
node_data = G.nodes[node_id]
|
||||
node_class = node_data.get('class', '') or ''
|
||||
|
||||
# 检查是否是气源设备
|
||||
if ('gas_source' in node_class or
|
||||
'gas' in node_id.lower() or
|
||||
node_id.startswith('flask_')):
|
||||
|
||||
# 检查 data.gas_type
|
||||
data = node_data.get('data', {})
|
||||
gas_type = data.get('gas_type', '')
|
||||
|
||||
if gas_type.lower() == gas.lower():
|
||||
debug_print(f"✅ 通过气体类型找到气源: {node_id} (气体类型: {gas_type})")
|
||||
return node_id
|
||||
|
||||
# 检查 config.gas_type
|
||||
config = node_data.get('config', {})
|
||||
config_gas_type = config.get('gas_type', '')
|
||||
|
||||
if config_gas_type.lower() == gas.lower():
|
||||
debug_print(f"✅ 通过配置气体类型找到气源: {node_id} (配置气体类型: {config_gas_type})")
|
||||
return node_id
|
||||
|
||||
# 第三步：查找所有可用的气源设备
|
||||
debug_print(f"📋 方法3: 查找可用气源...")
|
||||
available_gas_sources = []
|
||||
for node_id in G.nodes():
|
||||
node_data = G.nodes[node_id]
|
||||
node_class = node_data.get('class', '') or ''
|
||||
|
||||
if ('gas_source' in node_class or
|
||||
'gas' in node_id.lower() or
|
||||
(node_id.startswith('flask_') and any(g in node_id.lower() for g in ['air', 'nitrogen', 'argon']))):
|
||||
|
||||
data = node_data.get('data', {})
|
||||
gas_type = data.get('gas_type', '未知')
|
||||
available_gas_sources.append(f"{node_id} (气体类型: {gas_type})")
|
||||
|
||||
debug_print(f"📊 可用气源: {available_gas_sources}")
|
||||
|
||||
# 第四步：如果找不到特定气体，使用默认的第一个气源
|
||||
debug_print(f"📋 方法4: 查找默认气源...")
|
||||
default_gas_sources = [
|
||||
node for node in G.nodes()
|
||||
if ((G.nodes[node].get('class') or '').find('virtual_gas_source') != -1
|
||||
or 'gas_source' in node)
|
||||
]
|
||||
|
||||
if default_gas_sources:
|
||||
default_source = default_gas_sources[0]
|
||||
debug_print(f"⚠️ 未找到特定气体 '{gas}'，使用默认气源: {default_source}")
|
||||
return default_source
|
||||
|
||||
debug_print(f"❌ 所有方法都失败了！")
|
||||
raise ValueError(f"无法找到气体 '{gas}' 的气源。可用气源: {available_gas_sources}")
|
||||
|
||||
def find_vacuum_pump(G: nx.DiGraph) -> str:
|
||||
"""查找真空泵设备"""
|
||||
debug_print("🔍 正在查找真空泵...")
|
||||
|
||||
vacuum_pumps = []
|
||||
for node in G.nodes():
|
||||
node_data = G.nodes[node]
|
||||
node_class = node_data.get('class', '') or ''
|
||||
|
||||
if ('virtual_vacuum_pump' in node_class or
|
||||
'vacuum_pump' in node.lower() or
|
||||
'vacuum' in node_class.lower()):
|
||||
vacuum_pumps.append(node)
|
||||
debug_print(f"📋 发现真空泵: {node}")
|
||||
|
||||
if not vacuum_pumps:
|
||||
debug_print(f"❌ 系统中未找到真空泵")
|
||||
raise ValueError("系统中未找到真空泵")
|
||||
|
||||
debug_print(f"✅ 使用真空泵: {vacuum_pumps[0]}")
|
||||
return vacuum_pumps[0]
|
||||
|
||||
def find_connected_stirrer(G: nx.DiGraph, vessel: str) -> Optional[str]:
|
||||
"""查找与指定容器相连的搅拌器"""
|
||||
debug_print(f"🔍 正在查找与容器 {vessel} 连接的搅拌器...")
|
||||
|
||||
stirrer_nodes = []
|
||||
for node in G.nodes():
|
||||
node_data = G.nodes[node]
|
||||
node_class = node_data.get('class', '') or ''
|
||||
|
||||
if 'virtual_stirrer' in node_class or 'stirrer' in node.lower():
|
||||
stirrer_nodes.append(node)
|
||||
debug_print(f"📋 发现搅拌器: {node}")
|
||||
|
||||
debug_print(f"📊 找到的搅拌器总数: {len(stirrer_nodes)}")
|
||||
|
||||
# 检查哪个搅拌器与目标容器相连
|
||||
for stirrer in stirrer_nodes:
|
||||
if G.has_edge(stirrer, vessel) or G.has_edge(vessel, stirrer):
|
||||
debug_print(f"✅ 找到连接的搅拌器: {stirrer}")
|
||||
return stirrer
|
||||
|
||||
# 如果没有连接的搅拌器，返回第一个可用的
|
||||
if stirrer_nodes:
|
||||
debug_print(f"⚠️ 未找到直接连接的搅拌器，使用第一个可用的: {stirrer_nodes[0]}")
|
||||
return stirrer_nodes[0]
|
||||
|
||||
debug_print("❌ 未找到搅拌器")
|
||||
return None
|
||||
|
||||
def find_vacuum_solenoid_valve(G: nx.DiGraph, vacuum_pump: str) -> Optional[str]:
|
||||
"""查找真空泵相关的电磁阀"""
|
||||
debug_print(f"🔍 正在查找真空泵 {vacuum_pump} 的电磁阀...")
|
||||
|
||||
# 查找所有电磁阀
|
||||
solenoid_valves = []
|
||||
for node in G.nodes():
|
||||
node_data = G.nodes[node]
|
||||
node_class = node_data.get('class', '') or ''
|
||||
|
||||
if ('solenoid' in node_class.lower() or 'solenoid_valve' in node.lower()):
|
||||
solenoid_valves.append(node)
|
||||
debug_print(f"📋 发现电磁阀: {node}")
|
||||
|
||||
debug_print(f"📊 找到的电磁阀: {solenoid_valves}")
|
||||
|
||||
# 检查连接关系
|
||||
debug_print(f"📋 方法1: 检查连接关系...")
|
||||
for solenoid in solenoid_valves:
|
||||
if G.has_edge(solenoid, vacuum_pump) or G.has_edge(vacuum_pump, solenoid):
|
||||
debug_print(f"✅ 找到连接的真空电磁阀: {solenoid}")
|
||||
return solenoid
|
||||
|
||||
# 通过命名规则查找
|
||||
debug_print(f"📋 方法2: 检查命名规则...")
|
||||
for solenoid in solenoid_valves:
|
||||
if 'vacuum' in solenoid.lower() or solenoid == 'solenoid_valve_1':
|
||||
debug_print(f"✅ 通过命名找到真空电磁阀: {solenoid}")
|
||||
return solenoid
|
||||
|
||||
debug_print("⚠️ 未找到真空电磁阀")
|
||||
return None
|
||||
|
||||
def find_gas_solenoid_valve(G: nx.DiGraph, gas_source: str) -> Optional[str]:
|
||||
"""查找气源相关的电磁阀"""
|
||||
debug_print(f"🔍 正在查找气源 {gas_source} 的电磁阀...")
|
||||
|
||||
# 查找所有电磁阀
|
||||
solenoid_valves = []
|
||||
for node in G.nodes():
|
||||
node_data = G.nodes[node]
|
||||
node_class = node_data.get('class', '') or ''
|
||||
|
||||
if ('solenoid' in node_class.lower() or 'solenoid_valve' in node.lower()):
|
||||
solenoid_valves.append(node)
|
||||
|
||||
debug_print(f"📊 找到的电磁阀: {solenoid_valves}")
|
||||
|
||||
# 检查连接关系
|
||||
debug_print(f"📋 方法1: 检查连接关系...")
|
||||
for solenoid in solenoid_valves:
|
||||
if G.has_edge(gas_source, solenoid) or G.has_edge(solenoid, gas_source):
|
||||
debug_print(f"✅ 找到连接的气源电磁阀: {solenoid}")
|
||||
return solenoid
|
||||
|
||||
# 通过命名规则查找
|
||||
debug_print(f"📋 方法2: 检查命名规则...")
|
||||
for solenoid in solenoid_valves:
|
||||
if 'gas' in solenoid.lower() or solenoid == 'solenoid_valve_2':
|
||||
debug_print(f"✅ 通过命名找到气源电磁阀: {solenoid}")
|
||||
return solenoid
|
||||
|
||||
debug_print("⚠️ 未找到气源电磁阀")
|
||||
return None
|
||||
|
||||
def generate_evacuateandrefill_protocol(
|
||||
G: nx.DiGraph,
|
||||
vessel: str,
|
||||
gas: str,
|
||||
repeats: int = 1
|
||||
) -> list[dict]:
|
||||
G: nx.DiGraph,
|
||||
vessel: dict, # 🔧 修改：从字符串改为字典类型
|
||||
gas: str,
|
||||
**kwargs
|
||||
) -> List[Dict[str, Any]]:
|
||||
"""
|
||||
生成泵操作的动作序列。
|
||||
生成抽真空和充气操作的动作序列 - 中文版
|
||||
|
||||
:param G: 有向图, 节点为容器和注射泵, 边为流体管道, A→B边的属性为管道接A端的阀门位置
|
||||
:param from_vessel: 容器A
|
||||
:param to_vessel: 容器B
|
||||
:param volume: 转移的体积
|
||||
:param flowrate: 最终注入容器B时的流速
|
||||
:param transfer_flowrate: 泵骨架中转移流速（若不指定，默认与注入流速相同）
|
||||
:return: 泵操作的动作序列
|
||||
Args:
|
||||
G: 设备图
|
||||
vessel: 目标容器字典（必需）
|
||||
gas: 气体名称（必需）
|
||||
**kwargs: 其他参数（兼容性）
|
||||
|
||||
Returns:
|
||||
List[Dict[str, Any]]: 动作序列
|
||||
"""
|
||||
|
||||
# 生成电磁阀、真空泵、气源操作的动作序列
|
||||
vacuum_action_sequence = []
|
||||
nodes = G.nodes(data=True)
|
||||
# 🔧 核心修改：从字典中提取容器ID
|
||||
# 统一处理vessel参数
|
||||
if isinstance(vessel, dict):
|
||||
if "id" not in vessel:
|
||||
vessel_id = list(vessel.values())[0].get("id", "")
|
||||
else:
|
||||
vessel_id = vessel.get("id", "")
|
||||
vessel_data = vessel.get("data", {})
|
||||
else:
|
||||
vessel_id = str(vessel)
|
||||
vessel_data = G.nodes[vessel_id].get("data", {}) if vessel_id in G.nodes() else {}
|
||||
|
||||
# 找到和 vessel 相连的电磁阀和真空泵、气源
|
||||
vacuum_backbone = {"vessel": vessel}
|
||||
# 硬编码重复次数为 3
|
||||
repeats = 3
|
||||
|
||||
for neighbor in G.neighbors(vessel):
|
||||
if nodes[neighbor]["class"].startswith("solenoid_valve"):
|
||||
for neighbor2 in G.neighbors(neighbor):
|
||||
if neighbor2 == vessel:
|
||||
continue
|
||||
if nodes[neighbor2]["class"].startswith("vacuum_pump"):
|
||||
vacuum_backbone.update({"vacuum_valve": neighbor, "pump": neighbor2})
|
||||
break
|
||||
elif nodes[neighbor2]["class"].startswith("gas_source"):
|
||||
vacuum_backbone.update({"gas_valve": neighbor, "gas": neighbor2})
|
||||
break
|
||||
# 判断是否设备齐全
|
||||
if len(vacuum_backbone) < 5:
|
||||
print(f"\n\n\n{vacuum_backbone}\n\n\n")
|
||||
raise ValueError("Not all devices are connected to the vessel.")
|
||||
# 生成协议ID
|
||||
protocol_id = str(uuid.uuid4())
|
||||
debug_print(f"🆔 生成协议ID: {protocol_id}")
|
||||
|
||||
# 生成操作的动作序列
|
||||
for i in range(repeats):
|
||||
# 打开真空泵阀门、关闭气源阀门
|
||||
vacuum_action_sequence.append([
|
||||
{
|
||||
"device_id": vacuum_backbone["vacuum_valve"],
|
||||
"action_name": "set_valve_position",
|
||||
"action_kwargs": {
|
||||
"command": "OPEN"
|
||||
}
|
||||
},
|
||||
{
|
||||
"device_id": vacuum_backbone["gas_valve"],
|
||||
"action_name": "set_valve_position",
|
||||
"action_kwargs": {
|
||||
"command": "CLOSED"
|
||||
}
|
||||
}
|
||||
])
|
||||
debug_print("=" * 60)
|
||||
debug_print("🧪 开始生成抽真空充气协议")
|
||||
debug_print(f"📋 原始参数:")
|
||||
debug_print(f" 🥼 vessel: {vessel} (ID: {vessel_id})")
|
||||
debug_print(f" 💨 气体: '{gas}'")
|
||||
debug_print(f" 🔄 循环次数: {repeats} (硬编码)")
|
||||
debug_print(f" 📦 其他参数: {kwargs}")
|
||||
debug_print("=" * 60)
|
||||
|
||||
action_sequence = []
|
||||
|
||||
# === 参数验证和修正 ===
|
||||
debug_print("🔍 步骤1: 参数验证和修正...")
|
||||
action_sequence.append(create_action_log(f"开始抽真空充气操作 - 容器: {vessel_id}", "🎬"))
|
||||
action_sequence.append(create_action_log(f"目标气体: {gas}", "💨"))
|
||||
action_sequence.append(create_action_log(f"循环次数: {repeats}", "🔄"))
|
||||
|
||||
# 验证必需参数
|
||||
if not vessel_id:
|
||||
debug_print("❌ 容器参数不能为空")
|
||||
raise ValueError("容器参数不能为空")
|
||||
|
||||
if not gas:
|
||||
debug_print("❌ 气体参数不能为空")
|
||||
raise ValueError("气体参数不能为空")
|
||||
|
||||
if vessel_id not in G.nodes(): # 🔧 使用 vessel_id
|
||||
debug_print(f"❌ 容器 '{vessel_id}' 在系统中不存在")
|
||||
raise ValueError(f"容器 '{vessel_id}' 在系统中不存在")
|
||||
|
||||
debug_print("✅ 基本参数验证通过")
|
||||
action_sequence.append(create_action_log("参数验证通过", "✅"))
|
||||
|
||||
# 标准化气体名称
|
||||
debug_print("🔧 标准化气体名称...")
|
||||
gas_aliases = {
|
||||
'n2': 'nitrogen',
|
||||
'ar': 'argon',
|
||||
'air': 'air',
|
||||
'o2': 'oxygen',
|
||||
'co2': 'carbon_dioxide',
|
||||
'h2': 'hydrogen',
|
||||
'氮气': 'nitrogen',
|
||||
'氩气': 'argon',
|
||||
'空气': 'air',
|
||||
'氧气': 'oxygen',
|
||||
'二氧化碳': 'carbon_dioxide',
|
||||
'氢气': 'hydrogen'
|
||||
}
|
||||
|
||||
original_gas = gas
|
||||
gas_lower = gas.lower().strip()
|
||||
if gas_lower in gas_aliases:
|
||||
gas = gas_aliases[gas_lower]
|
||||
debug_print(f"🔄 标准化气体名称: {original_gas} -> {gas}")
|
||||
action_sequence.append(create_action_log(f"气体名称标准化: {original_gas} -> {gas}", "🔄"))
|
||||
|
||||
debug_print(f"📋 最终参数: 容器={vessel_id}, 气体={gas}, 重复={repeats}")
|
||||
|
||||
# === 查找设备 ===
|
||||
debug_print("🔍 步骤2: 查找设备...")
|
||||
action_sequence.append(create_action_log("正在查找相关设备...", "🔍"))
|
||||
|
||||
try:
|
||||
vacuum_pump = find_vacuum_pump(G)
|
||||
action_sequence.append(create_action_log(f"找到真空泵: {vacuum_pump}", "🌪️"))
|
||||
|
||||
# 打开真空泵、关闭气源
|
||||
vacuum_action_sequence.append([
|
||||
{
|
||||
"device_id": vacuum_backbone["pump"],
|
||||
"action_name": "set_status",
|
||||
"action_kwargs": {
|
||||
"command": "ON"
|
||||
}
|
||||
},
|
||||
{
|
||||
"device_id": vacuum_backbone["gas"],
|
||||
"action_name": "set_status",
|
||||
"action_kwargs": {
|
||||
"command": "OFF"
|
||||
}
|
||||
}
|
||||
])
|
||||
vacuum_action_sequence.append({"action_name": "wait", "action_kwargs": {"time": 60}})
|
||||
gas_source = find_gas_source(G, gas)
|
||||
action_sequence.append(create_action_log(f"找到气源: {gas_source}", "💨"))
|
||||
|
||||
# 关闭真空泵阀门、打开气源阀门
|
||||
vacuum_action_sequence.append([
|
||||
{
|
||||
"device_id": vacuum_backbone["vacuum_valve"],
|
||||
"action_name": "set_valve_position",
|
||||
"action_kwargs": {
|
||||
"command": "CLOSED"
|
||||
}
|
||||
},
|
||||
{
|
||||
"device_id": vacuum_backbone["gas_valve"],
|
||||
"action_name": "set_valve_position",
|
||||
"action_kwargs": {
|
||||
"command": "OPEN"
|
||||
}
|
||||
}
|
||||
])
|
||||
vacuum_solenoid = find_vacuum_solenoid_valve(G, vacuum_pump)
|
||||
if vacuum_solenoid:
|
||||
action_sequence.append(create_action_log(f"找到真空电磁阀: {vacuum_solenoid}", "🚪"))
|
||||
else:
|
||||
action_sequence.append(create_action_log("未找到真空电磁阀", "⚠️"))
|
||||
|
||||
# 关闭真空泵、打开气源
|
||||
vacuum_action_sequence.append([
|
||||
{
|
||||
"device_id": vacuum_backbone["pump"],
|
||||
"action_name": "set_status",
|
||||
"action_kwargs": {
|
||||
"command": "OFF"
|
||||
}
|
||||
},
|
||||
{
|
||||
"device_id": vacuum_backbone["gas"],
|
||||
"action_name": "set_status",
|
||||
"action_kwargs": {
|
||||
"command": "ON"
|
||||
}
|
||||
gas_solenoid = find_gas_solenoid_valve(G, gas_source)
|
||||
if gas_solenoid:
|
||||
action_sequence.append(create_action_log(f"找到气源电磁阀: {gas_solenoid}", "🚪"))
|
||||
else:
|
||||
action_sequence.append(create_action_log("未找到气源电磁阀", "⚠️"))
|
||||
|
||||
stirrer_id = find_connected_stirrer(G, vessel_id) # 🔧 使用 vessel_id
|
||||
if stirrer_id:
|
||||
action_sequence.append(create_action_log(f"找到搅拌器: {stirrer_id}", "🌪️"))
|
||||
else:
|
||||
action_sequence.append(create_action_log("未找到搅拌器", "⚠️"))
|
||||
|
||||
debug_print(f"📊 设备配置:")
|
||||
debug_print(f" 🌪️ 真空泵: {vacuum_pump}")
|
||||
debug_print(f" 💨 气源: {gas_source}")
|
||||
debug_print(f" 🚪 真空电磁阀: {vacuum_solenoid}")
|
||||
debug_print(f" 🚪 气源电磁阀: {gas_solenoid}")
|
||||
debug_print(f" 🌪️ 搅拌器: {stirrer_id}")
|
||||
|
||||
except Exception as e:
|
||||
debug_print(f"❌ 设备查找失败: {str(e)}")
|
||||
action_sequence.append(create_action_log(f"设备查找失败: {str(e)}", "❌"))
|
||||
raise ValueError(f"设备查找失败: {str(e)}")
|
||||
|
||||
# === 参数设置 ===
|
||||
debug_print("🔍 步骤3: 参数设置...")
|
||||
action_sequence.append(create_action_log("设置操作参数...", "⚙️"))
|
||||
|
||||
# 根据气体类型调整参数
|
||||
if gas.lower() in ['nitrogen', 'argon']:
|
||||
VACUUM_VOLUME = 25.0
|
||||
REFILL_VOLUME = 25.0
|
||||
PUMP_FLOW_RATE = 2.0
|
||||
VACUUM_TIME = 30.0
|
||||
REFILL_TIME = 20.0
|
||||
debug_print("💨 惰性气体: 使用标准参数")
|
||||
action_sequence.append(create_action_log("检测到惰性气体，使用标准参数", "💨"))
|
||||
elif gas.lower() in ['air', 'oxygen']:
|
||||
VACUUM_VOLUME = 20.0
|
||||
REFILL_VOLUME = 20.0
|
||||
PUMP_FLOW_RATE = 1.5
|
||||
VACUUM_TIME = 45.0
|
||||
REFILL_TIME = 25.0
|
||||
debug_print("🔥 活性气体: 使用保守参数")
|
||||
action_sequence.append(create_action_log("检测到活性气体，使用保守参数", "🔥"))
|
||||
else:
|
||||
VACUUM_VOLUME = 15.0
|
||||
REFILL_VOLUME = 15.0
|
||||
PUMP_FLOW_RATE = 1.0
|
||||
VACUUM_TIME = 60.0
|
||||
REFILL_TIME = 30.0
|
||||
debug_print("❓ 未知气体: 使用安全参数")
|
||||
action_sequence.append(create_action_log("未知气体类型，使用安全参数", "❓"))
|
||||
|
||||
STIR_SPEED = 200.0
|
||||
|
||||
debug_print(f"⚙️ 操作参数:")
|
||||
debug_print(f" 📏 真空体积: {VACUUM_VOLUME}mL")
|
||||
debug_print(f" 📏 充气体积: {REFILL_VOLUME}mL")
|
||||
debug_print(f" ⚡ 泵流速: {PUMP_FLOW_RATE}mL/s")
|
||||
debug_print(f" ⏱️ 真空时间: {VACUUM_TIME}s")
|
||||
debug_print(f" ⏱️ 充气时间: {REFILL_TIME}s")
|
||||
debug_print(f" 🌪️ 搅拌速度: {STIR_SPEED}RPM")
|
||||
|
||||
action_sequence.append(create_action_log(f"真空体积: {VACUUM_VOLUME}mL", "📏"))
|
||||
action_sequence.append(create_action_log(f"充气体积: {REFILL_VOLUME}mL", "📏"))
|
||||
action_sequence.append(create_action_log(f"泵流速: {PUMP_FLOW_RATE}mL/s", "⚡"))
|
||||
|
||||
# === 路径验证 ===
|
||||
debug_print("🔍 步骤4: 路径验证...")
|
||||
action_sequence.append(create_action_log("验证传输路径...", "🛤️"))
|
||||
|
||||
try:
|
||||
# 验证抽真空路径
|
||||
if nx.has_path(G, vessel_id, vacuum_pump): # 🔧 使用 vessel_id
|
||||
vacuum_path = nx.shortest_path(G, source=vessel_id, target=vacuum_pump)
|
||||
debug_print(f"✅ 真空路径: {' -> '.join(vacuum_path)}")
|
||||
action_sequence.append(create_action_log(f"真空路径: {' -> '.join(vacuum_path)}", "🛤️"))
|
||||
else:
|
||||
debug_print(f"⚠️ 真空路径不存在，继续执行但可能有问题")
|
||||
action_sequence.append(create_action_log("真空路径检查: 路径不存在", "⚠️"))
|
||||
|
||||
# 验证充气路径
|
||||
if nx.has_path(G, gas_source, vessel_id): # 🔧 使用 vessel_id
|
||||
gas_path = nx.shortest_path(G, source=gas_source, target=vessel_id)
|
||||
debug_print(f"✅ 气体路径: {' -> '.join(gas_path)}")
|
||||
action_sequence.append(create_action_log(f"气体路径: {' -> '.join(gas_path)}", "🛤️"))
|
||||
else:
|
||||
debug_print(f"⚠️ 气体路径不存在，继续执行但可能有问题")
|
||||
action_sequence.append(create_action_log("气体路径检查: 路径不存在", "⚠️"))
|
||||
|
||||
except Exception as e:
|
||||
debug_print(f"⚠️ 路径验证失败: {str(e)}，继续执行")
|
||||
action_sequence.append(create_action_log(f"路径验证失败: {str(e)}", "⚠️"))
|
||||
|
||||
# === 启动搅拌器 ===
|
||||
debug_print("🔍 步骤5: 启动搅拌器...")
|
||||
|
||||
if stirrer_id:
|
||||
debug_print(f"🌪️ 启动搅拌器: {stirrer_id}")
|
||||
action_sequence.append(create_action_log(f"启动搅拌器 {stirrer_id} (速度: {STIR_SPEED}rpm)", "🌪️"))
|
||||
|
||||
action_sequence.append({
|
||||
"device_id": stirrer_id,
|
||||
"action_name": "start_stir",
|
||||
"action_kwargs": {
|
||||
"vessel": vessel_id, # 🔧 使用 vessel_id
|
||||
"stir_speed": STIR_SPEED,
|
||||
"purpose": "抽真空充气前预搅拌"
|
||||
}
|
||||
])
|
||||
vacuum_action_sequence.append({"action_name": "wait", "action_kwargs": {"time": 60}})
|
||||
})
|
||||
|
||||
# 等待搅拌稳定
|
||||
action_sequence.append(create_action_log("等待搅拌稳定...", "⏳"))
|
||||
action_sequence.append({
|
||||
"action_name": "wait",
|
||||
"action_kwargs": {"time": 5.0}
|
||||
})
|
||||
else:
|
||||
debug_print("⚠️ 未找到搅拌器，跳过搅拌器启动")
|
||||
action_sequence.append(create_action_log("跳过搅拌器启动", "⏭️"))
|
||||
|
||||
# === 执行循环 ===
|
||||
debug_print("🔍 步骤6: 执行抽真空-充气循环...")
|
||||
action_sequence.append(create_action_log(f"开始 {repeats} 次抽真空-充气循环", "🔄"))
|
||||
|
||||
for cycle in range(repeats):
|
||||
debug_print(f"=== 第 {cycle+1}/{repeats} 轮循环 ===")
|
||||
action_sequence.append(create_action_log(f"第 {cycle+1}/{repeats} 轮循环开始", "🚀"))
|
||||
|
||||
# ============ 抽真空阶段 ============
|
||||
debug_print(f"🌪️ 抽真空阶段开始")
|
||||
action_sequence.append(create_action_log("开始抽真空阶段", "🌪️"))
|
||||
|
||||
# 启动真空泵
|
||||
debug_print(f"🔛 启动真空泵: {vacuum_pump}")
|
||||
action_sequence.append(create_action_log(f"启动真空泵: {vacuum_pump}", "🔛"))
|
||||
action_sequence.append({
|
||||
"device_id": vacuum_pump,
|
||||
"action_name": "set_status",
|
||||
"action_kwargs": {"string": "ON"}
|
||||
})
|
||||
|
||||
# 开启真空电磁阀
|
||||
if vacuum_solenoid:
|
||||
debug_print(f"🚪 打开真空电磁阀: {vacuum_solenoid}")
|
||||
action_sequence.append(create_action_log(f"打开真空电磁阀: {vacuum_solenoid}", "🚪"))
|
||||
action_sequence.append({
|
||||
"device_id": vacuum_solenoid,
|
||||
"action_name": "set_valve_position",
|
||||
"action_kwargs": {"command": "OPEN"}
|
||||
})
|
||||
|
||||
# 抽真空操作
|
||||
debug_print(f"🌪️ 抽真空操作: {vessel_id} -> {vacuum_pump}")
|
||||
action_sequence.append(create_action_log(f"开始抽真空: {vessel_id} -> {vacuum_pump}", "🌪️"))
|
||||
|
||||
try:
|
||||
vacuum_transfer_actions = generate_pump_protocol_with_rinsing(
|
||||
G=G,
|
||||
from_vessel=vessel_id, # 🔧 使用 vessel_id
|
||||
to_vessel=vacuum_pump,
|
||||
volume=VACUUM_VOLUME,
|
||||
amount="",
|
||||
time=0.0,
|
||||
viscous=False,
|
||||
rinsing_solvent="",
|
||||
rinsing_volume=0.0,
|
||||
rinsing_repeats=0,
|
||||
solid=False,
|
||||
flowrate=PUMP_FLOW_RATE,
|
||||
transfer_flowrate=PUMP_FLOW_RATE
|
||||
)
|
||||
|
||||
if vacuum_transfer_actions:
|
||||
action_sequence.extend(vacuum_transfer_actions)
|
||||
debug_print(f"✅ 添加了 {len(vacuum_transfer_actions)} 个抽真空动作")
|
||||
action_sequence.append(create_action_log(f"抽真空协议完成 ({len(vacuum_transfer_actions)} 个操作)", "✅"))
|
||||
else:
|
||||
debug_print("⚠️ 抽真空协议返回空序列，添加手动动作")
|
||||
action_sequence.append(create_action_log("抽真空协议为空，使用手动等待", "⚠️"))
|
||||
action_sequence.append({
|
||||
"action_name": "wait",
|
||||
"action_kwargs": {"time": VACUUM_TIME}
|
||||
})
|
||||
|
||||
except Exception as e:
|
||||
debug_print(f"❌ 抽真空失败: {str(e)}")
|
||||
action_sequence.append(create_action_log(f"抽真空失败: {str(e)}", "❌"))
|
||||
action_sequence.append({
|
||||
"action_name": "wait",
|
||||
"action_kwargs": {"time": VACUUM_TIME}
|
||||
})
|
||||
|
||||
# 抽真空后等待
|
||||
wait_minutes = VACUUM_TIME / 60
|
||||
action_sequence.append(create_action_log(f"抽真空后等待 ({wait_minutes:.1f} 分钟)", "⏳"))
|
||||
action_sequence.append({
|
||||
"action_name": "wait",
|
||||
"action_kwargs": {"time": VACUUM_TIME}
|
||||
})
|
||||
|
||||
# 关闭真空电磁阀
|
||||
if vacuum_solenoid:
|
||||
debug_print(f"🚪 关闭真空电磁阀: {vacuum_solenoid}")
|
||||
action_sequence.append(create_action_log(f"关闭真空电磁阀: {vacuum_solenoid}", "🚪"))
|
||||
action_sequence.append({
|
||||
"device_id": vacuum_solenoid,
|
||||
"action_name": "set_valve_position",
|
||||
"action_kwargs": {"command": "CLOSED"}
|
||||
})
|
||||
|
||||
# 关闭真空泵
|
||||
debug_print(f"🔴 停止真空泵: {vacuum_pump}")
|
||||
action_sequence.append(create_action_log(f"停止真空泵: {vacuum_pump}", "🔴"))
|
||||
action_sequence.append({
|
||||
"device_id": vacuum_pump,
|
||||
"action_name": "set_status",
|
||||
"action_kwargs": {"string": "OFF"}
|
||||
})
|
||||
|
||||
# 阶段间等待
|
||||
action_sequence.append(create_action_log("抽真空阶段完成，短暂等待", "⏳"))
|
||||
action_sequence.append({
|
||||
"action_name": "wait",
|
||||
"action_kwargs": {"time": 5.0}
|
||||
})
|
||||
|
||||
# ============ 充气阶段 ============
|
||||
debug_print(f"💨 充气阶段开始")
|
||||
action_sequence.append(create_action_log("开始气体充气阶段", "💨"))
|
||||
|
||||
# 启动气源
|
||||
debug_print(f"🔛 启动气源: {gas_source}")
|
||||
action_sequence.append(create_action_log(f"启动气源: {gas_source}", "🔛"))
|
||||
action_sequence.append({
|
||||
"device_id": gas_source,
|
||||
"action_name": "set_status",
|
||||
"action_kwargs": {"string": "ON"}
|
||||
})
|
||||
|
||||
# 开启气源电磁阀
|
||||
if gas_solenoid:
|
||||
debug_print(f"🚪 打开气源电磁阀: {gas_solenoid}")
|
||||
action_sequence.append(create_action_log(f"打开气源电磁阀: {gas_solenoid}", "🚪"))
|
||||
action_sequence.append({
|
||||
"device_id": gas_solenoid,
|
||||
"action_name": "set_valve_position",
|
||||
"action_kwargs": {"command": "OPEN"}
|
||||
})
|
||||
|
||||
# 充气操作
|
||||
debug_print(f"💨 充气操作: {gas_source} -> {vessel_id}")
|
||||
action_sequence.append(create_action_log(f"开始气体充气: {gas_source} -> {vessel_id}", "💨"))
|
||||
|
||||
try:
|
||||
gas_transfer_actions = generate_pump_protocol_with_rinsing(
|
||||
G=G,
|
||||
from_vessel=gas_source,
|
||||
to_vessel=vessel_id, # 🔧 使用 vessel_id
|
||||
volume=REFILL_VOLUME,
|
||||
amount="",
|
||||
time=0.0,
|
||||
viscous=False,
|
||||
rinsing_solvent="",
|
||||
rinsing_volume=0.0,
|
||||
rinsing_repeats=0,
|
||||
solid=False,
|
||||
flowrate=PUMP_FLOW_RATE,
|
||||
transfer_flowrate=PUMP_FLOW_RATE
|
||||
)
|
||||
|
||||
if gas_transfer_actions:
|
||||
action_sequence.extend(gas_transfer_actions)
|
||||
debug_print(f"✅ 添加了 {len(gas_transfer_actions)} 个充气动作")
|
||||
action_sequence.append(create_action_log(f"气体充气协议完成 ({len(gas_transfer_actions)} 个操作)", "✅"))
|
||||
else:
|
||||
debug_print("⚠️ 充气协议返回空序列，添加手动动作")
|
||||
action_sequence.append(create_action_log("充气协议为空，使用手动等待", "⚠️"))
|
||||
action_sequence.append({
|
||||
"action_name": "wait",
|
||||
"action_kwargs": {"time": REFILL_TIME}
|
||||
})
|
||||
|
||||
except Exception as e:
|
||||
debug_print(f"❌ 气体充气失败: {str(e)}")
|
||||
action_sequence.append(create_action_log(f"气体充气失败: {str(e)}", "❌"))
|
||||
action_sequence.append({
|
||||
"action_name": "wait",
|
||||
"action_kwargs": {"time": REFILL_TIME}
|
||||
})
|
||||
|
||||
# 充气后等待
|
||||
refill_wait_minutes = REFILL_TIME / 60
|
||||
action_sequence.append(create_action_log(f"充气后等待 ({refill_wait_minutes:.1f} 分钟)", "⏳"))
|
||||
action_sequence.append({
|
||||
"action_name": "wait",
|
||||
"action_kwargs": {"time": REFILL_TIME}
|
||||
})
|
||||
|
||||
# 关闭气源电磁阀
|
||||
if gas_solenoid:
|
||||
debug_print(f"🚪 关闭气源电磁阀: {gas_solenoid}")
|
||||
action_sequence.append(create_action_log(f"关闭气源电磁阀: {gas_solenoid}", "🚪"))
|
||||
action_sequence.append({
|
||||
"device_id": gas_solenoid,
|
||||
"action_name": "set_valve_position",
|
||||
"action_kwargs": {"command": "CLOSED"}
|
||||
})
|
||||
|
||||
# 关闭气源
|
||||
vacuum_action_sequence.append(
|
||||
{
|
||||
"device_id": vacuum_backbone["gas"],
|
||||
"action_name": "set_status",
|
||||
"action_kwargs": {
|
||||
"command": "OFF"
|
||||
}
|
||||
}
|
||||
)
|
||||
debug_print(f"🔴 停止气源: {gas_source}")
|
||||
action_sequence.append(create_action_log(f"停止气源: {gas_source}", "🔴"))
|
||||
action_sequence.append({
|
||||
"device_id": gas_source,
|
||||
"action_name": "set_status",
|
||||
"action_kwargs": {"string": "OFF"}
|
||||
})
|
||||
|
||||
# 关闭阀门
|
||||
vacuum_action_sequence.append(
|
||||
{
|
||||
"device_id": vacuum_backbone["gas_valve"],
|
||||
"action_name": "set_valve_position",
|
||||
"action_kwargs": {
|
||||
"command": "CLOSED"
|
||||
}
|
||||
}
|
||||
)
|
||||
return vacuum_action_sequence
|
||||
# 循环间等待
|
||||
if cycle < repeats - 1:
|
||||
debug_print(f"⏳ 等待下一个循环...")
|
||||
action_sequence.append(create_action_log("等待下一个循环...", "⏳"))
|
||||
action_sequence.append({
|
||||
"action_name": "wait",
|
||||
"action_kwargs": {"time": 10.0}
|
||||
})
|
||||
else:
|
||||
action_sequence.append(create_action_log(f"第 {cycle+1}/{repeats} 轮循环完成", "✅"))
|
||||
|
||||
# === 停止搅拌器 ===
|
||||
debug_print("🔍 步骤7: 停止搅拌器...")
|
||||
|
||||
if stirrer_id:
|
||||
debug_print(f"🛑 停止搅拌器: {stirrer_id}")
|
||||
action_sequence.append(create_action_log(f"停止搅拌器: {stirrer_id}", "🛑"))
|
||||
action_sequence.append({
|
||||
"device_id": stirrer_id,
|
||||
"action_name": "stop_stir",
|
||||
"action_kwargs": {"vessel": vessel_id} # 🔧 使用 vessel_id
|
||||
})
|
||||
else:
|
||||
action_sequence.append(create_action_log("跳过搅拌器停止", "⏭️"))
|
||||
|
||||
# === 最终等待 ===
|
||||
action_sequence.append(create_action_log("最终稳定等待...", "⏳"))
|
||||
action_sequence.append({
|
||||
"action_name": "wait",
|
||||
"action_kwargs": {"time": 10.0}
|
||||
})
|
||||
|
||||
# === 总结 ===
|
||||
total_time = (VACUUM_TIME + REFILL_TIME + 25) * repeats + 20
|
||||
|
||||
debug_print("=" * 60)
|
||||
debug_print(f"🎉 抽真空充气协议生成完成")
|
||||
debug_print(f"📊 协议统计:")
|
||||
debug_print(f" 📋 总动作数: {len(action_sequence)}")
|
||||
debug_print(f" ⏱️ 预计总时间: {total_time:.0f}s ({total_time/60:.1f} 分钟)")
|
||||
debug_print(f" 🥼 处理容器: {vessel_id}")
|
||||
debug_print(f" 💨 使用气体: {gas}")
|
||||
debug_print(f" 🔄 重复次数: {repeats}")
|
||||
debug_print("=" * 60)
|
||||
|
||||
# 添加完成日志
|
||||
summary_msg = f"抽真空充气协议完成: {vessel_id} (使用 {gas}，{repeats} 次循环)"
|
||||
action_sequence.append(create_action_log(summary_msg, "🎉"))
|
||||
|
||||
return action_sequence
|
||||
|
||||
# === 便捷函数 ===
|
||||
|
||||
def generate_nitrogen_purge_protocol(G: nx.DiGraph, vessel: dict, **kwargs) -> List[Dict[str, Any]]: # 🔧 修改参数类型
|
||||
"""生成氮气置换协议"""
|
||||
vessel_id = vessel["id"]
|
||||
debug_print(f"💨 生成氮气置换协议: {vessel_id}")
|
||||
return generate_evacuateandrefill_protocol(G, vessel, "nitrogen", **kwargs)
|
||||
|
||||
def generate_argon_purge_protocol(G: nx.DiGraph, vessel: dict, **kwargs) -> List[Dict[str, Any]]: # 🔧 修改参数类型
|
||||
"""生成氩气置换协议"""
|
||||
vessel_id = vessel["id"]
|
||||
debug_print(f"💨 生成氩气置换协议: {vessel_id}")
|
||||
return generate_evacuateandrefill_protocol(G, vessel, "argon", **kwargs)
|
||||
|
||||
def generate_air_purge_protocol(G: nx.DiGraph, vessel: dict, **kwargs) -> List[Dict[str, Any]]: # 🔧 修改参数类型
|
||||
"""生成空气置换协议"""
|
||||
vessel_id = vessel["id"]
|
||||
debug_print(f"💨 生成空气置换协议: {vessel_id}")
|
||||
return generate_evacuateandrefill_protocol(G, vessel, "air", **kwargs)
|
||||
|
||||
def generate_inert_atmosphere_protocol(G: nx.DiGraph, vessel: dict, gas: str = "nitrogen", **kwargs) -> List[Dict[str, Any]]: # 🔧 修改参数类型
|
||||
"""生成惰性气氛协议"""
|
||||
vessel_id = vessel["id"]
|
||||
debug_print(f"🛡️ 生成惰性气氛协议: {vessel_id} (使用 {gas})")
|
||||
return generate_evacuateandrefill_protocol(G, vessel, gas, **kwargs)
|
||||
|
||||
# 测试函数
|
||||
def test_evacuateandrefill_protocol():
|
||||
"""测试抽真空充气协议"""
|
||||
debug_print("=== 抽真空充气协议增强中文版测试 ===")
|
||||
debug_print("✅ 测试完成")
|
||||
|
||||
if __name__ == "__main__":
|
||||
test_evacuateandrefill_protocol()
|
||||
143
unilabos/compile/evacuateandrefill_protocol_old.py
Normal file
143
unilabos/compile/evacuateandrefill_protocol_old.py
Normal file
@@ -0,0 +1,143 @@
|
||||
# import numpy as np
|
||||
# import networkx as nx
|
||||
|
||||
|
||||
# def generate_evacuateandrefill_protocol(
|
||||
# G: nx.DiGraph,
|
||||
# vessel: str,
|
||||
# gas: str,
|
||||
# repeats: int = 1
|
||||
# ) -> list[dict]:
|
||||
# """
|
||||
# 生成泵操作的动作序列。
|
||||
|
||||
# :param G: 有向图, 节点为容器和注射泵, 边为流体管道, A→B边的属性为管道接A端的阀门位置
|
||||
# :param from_vessel: 容器A
|
||||
# :param to_vessel: 容器B
|
||||
# :param volume: 转移的体积
|
||||
# :param flowrate: 最终注入容器B时的流速
|
||||
# :param transfer_flowrate: 泵骨架中转移流速（若不指定，默认与注入流速相同）
|
||||
# :return: 泵操作的动作序列
|
||||
# """
|
||||
|
||||
# # 生成电磁阀、真空泵、气源操作的动作序列
|
||||
# vacuum_action_sequence = []
|
||||
# nodes = G.nodes(data=True)
|
||||
|
||||
# # 找到和 vessel 相连的电磁阀和真空泵、气源
|
||||
# vacuum_backbone = {"vessel": vessel}
|
||||
|
||||
# for neighbor in G.neighbors(vessel):
|
||||
# if nodes[neighbor]["class"].startswith("solenoid_valve"):
|
||||
# for neighbor2 in G.neighbors(neighbor):
|
||||
# if neighbor2 == vessel:
|
||||
# continue
|
||||
# if nodes[neighbor2]["class"].startswith("vacuum_pump"):
|
||||
# vacuum_backbone.update({"vacuum_valve": neighbor, "pump": neighbor2})
|
||||
# break
|
||||
# elif nodes[neighbor2]["class"].startswith("gas_source"):
|
||||
# vacuum_backbone.update({"gas_valve": neighbor, "gas": neighbor2})
|
||||
# break
|
||||
# # 判断是否设备齐全
|
||||
# if len(vacuum_backbone) < 5:
|
||||
# print(f"\n\n\n{vacuum_backbone}\n\n\n")
|
||||
# raise ValueError("Not all devices are connected to the vessel.")
|
||||
|
||||
# # 生成操作的动作序列
|
||||
# for i in range(repeats):
|
||||
# # 打开真空泵阀门、关闭气源阀门
|
||||
# vacuum_action_sequence.append([
|
||||
# {
|
||||
# "device_id": vacuum_backbone["vacuum_valve"],
|
||||
# "action_name": "set_valve_position",
|
||||
# "action_kwargs": {
|
||||
# "command": "OPEN"
|
||||
# }
|
||||
# },
|
||||
# {
|
||||
# "device_id": vacuum_backbone["gas_valve"],
|
||||
# "action_name": "set_valve_position",
|
||||
# "action_kwargs": {
|
||||
# "command": "CLOSED"
|
||||
# }
|
||||
# }
|
||||
# ])
|
||||
|
||||
# # 打开真空泵、关闭气源
|
||||
# vacuum_action_sequence.append([
|
||||
# {
|
||||
# "device_id": vacuum_backbone["pump"],
|
||||
# "action_name": "set_status",
|
||||
# "action_kwargs": {
|
||||
# "string": "ON"
|
||||
# }
|
||||
# },
|
||||
# {
|
||||
# "device_id": vacuum_backbone["gas"],
|
||||
# "action_name": "set_status",
|
||||
# "action_kwargs": {
|
||||
# "string": "OFF"
|
||||
# }
|
||||
# }
|
||||
# ])
|
||||
# vacuum_action_sequence.append({"action_name": "wait", "action_kwargs": {"time": 60}})
|
||||
|
||||
# # 关闭真空泵阀门、打开气源阀门
|
||||
# vacuum_action_sequence.append([
|
||||
# {
|
||||
# "device_id": vacuum_backbone["vacuum_valve"],
|
||||
# "action_name": "set_valve_position",
|
||||
# "action_kwargs": {
|
||||
# "command": "CLOSED"
|
||||
# }
|
||||
# },
|
||||
# {
|
||||
# "device_id": vacuum_backbone["gas_valve"],
|
||||
# "action_name": "set_valve_position",
|
||||
# "action_kwargs": {
|
||||
# "command": "OPEN"
|
||||
# }
|
||||
# }
|
||||
# ])
|
||||
|
||||
# # 关闭真空泵、打开气源
|
||||
# vacuum_action_sequence.append([
|
||||
# {
|
||||
# "device_id": vacuum_backbone["pump"],
|
||||
# "action_name": "set_status",
|
||||
# "action_kwargs": {
|
||||
# "string": "OFF"
|
||||
# }
|
||||
# },
|
||||
# {
|
||||
# "device_id": vacuum_backbone["gas"],
|
||||
# "action_name": "set_status",
|
||||
# "action_kwargs": {
|
||||
# "string": "ON"
|
||||
# }
|
||||
# }
|
||||
# ])
|
||||
# vacuum_action_sequence.append({"action_name": "wait", "action_kwargs": {"time": 60}})
|
||||
|
||||
# # 关闭气源
|
||||
# vacuum_action_sequence.append(
|
||||
# {
|
||||
# "device_id": vacuum_backbone["gas"],
|
||||
# "action_name": "set_status",
|
||||
# "action_kwargs": {
|
||||
# "string": "OFF"
|
||||
# }
|
||||
# }
|
||||
# )
|
||||
|
||||
# # 关闭阀门
|
||||
# vacuum_action_sequence.append(
|
||||
# {
|
||||
# "device_id": vacuum_backbone["gas_valve"],
|
||||
# "action_name": "set_valve_position",
|
||||
# "action_kwargs": {
|
||||
# "command": "CLOSED"
|
||||
# }
|
||||
# }
|
||||
# )
|
||||
# return vacuum_action_sequence
|
||||
@@ -1,81 +1,479 @@
|
||||
import numpy as np
|
||||
from typing import List, Dict, Any, Optional, Union
|
||||
import networkx as nx
|
||||
import logging
|
||||
import re
|
||||
|
||||
logger = logging.getLogger(__name__)
|
||||
|
||||
def debug_print(message):
|
||||
"""调试输出"""
|
||||
print(f"🧪 [EVAPORATE] {message}", flush=True)
|
||||
logger.info(f"[EVAPORATE] {message}")
|
||||
|
||||
def parse_time_input(time_input: Union[str, float]) -> float:
|
||||
"""
|
||||
解析时间输入，支持带单位的字符串
|
||||
|
||||
Args:
|
||||
time_input: 时间输入（如 "3 min", "180", "0.5 h" 等）
|
||||
|
||||
Returns:
|
||||
float: 时间（秒）
|
||||
"""
|
||||
if isinstance(time_input, (int, float)):
|
||||
debug_print(f"⏱️ 时间输入为数字: {time_input}s ✨")
|
||||
return float(time_input) # 🔧 确保返回float
|
||||
|
||||
if not time_input or not str(time_input).strip():
|
||||
debug_print(f"⚠️ 时间输入为空，使用默认值: 180s (3分钟) 🕐")
|
||||
return 180.0 # 默认3分钟
|
||||
|
||||
time_str = str(time_input).lower().strip()
|
||||
debug_print(f"🔍 解析时间输入: '{time_str}' 📝")
|
||||
|
||||
# 处理未知时间
|
||||
if time_str in ['?', 'unknown', 'tbd']:
|
||||
default_time = 180.0 # 默认3分钟
|
||||
debug_print(f"❓ 检测到未知时间，使用默认值: {default_time}s (3分钟) 🤷♀️")
|
||||
return default_time
|
||||
|
||||
# 移除空格并提取数字和单位
|
||||
time_clean = re.sub(r'\s+', '', time_str)
|
||||
|
||||
# 匹配数字和单位的正则表达式
|
||||
match = re.match(r'([0-9]*\.?[0-9]+)\s*(s|sec|second|min|minute|h|hr|hour|d|day)?', time_clean)
|
||||
|
||||
if not match:
|
||||
# 如果无法解析，尝试直接转换为数字（默认秒）
|
||||
try:
|
||||
value = float(time_str)
|
||||
debug_print(f"✅ 时间解析成功: {time_str} → {value}s（无单位，默认秒）⏰")
|
||||
return float(value) # 🔧 确保返回float
|
||||
except ValueError:
|
||||
debug_print(f"❌ 无法解析时间: '{time_str}'，使用默认值180s (3分钟) 😅")
|
||||
return 180.0
|
||||
|
||||
value = float(match.group(1))
|
||||
unit = match.group(2) or 's' # 默认单位为秒
|
||||
|
||||
# 转换为秒
|
||||
if unit in ['min', 'minute']:
|
||||
time_sec = value * 60.0 # min -> s
|
||||
debug_print(f"🕐 时间转换: {value} 分钟 → {time_sec}s ⏰")
|
||||
elif unit in ['h', 'hr', 'hour']:
|
||||
time_sec = value * 3600.0 # h -> s
|
||||
debug_print(f"🕐 时间转换: {value} 小时 → {time_sec}s ({time_sec/60:.1f}分钟) ⏰")
|
||||
elif unit in ['d', 'day']:
|
||||
time_sec = value * 86400.0 # d -> s
|
||||
debug_print(f"🕐 时间转换: {value} 天 → {time_sec}s ({time_sec/3600:.1f}小时) ⏰")
|
||||
else: # s, sec, second 或默认
|
||||
time_sec = value # 已经是s
|
||||
debug_print(f"🕐 时间转换: {value}s → {time_sec}s (已是秒) ⏰")
|
||||
|
||||
return float(time_sec) # 🔧 确保返回float
|
||||
|
||||
def find_rotavap_device(G: nx.DiGraph, vessel: str = None) -> Optional[str]:
|
||||
"""
|
||||
在组态图中查找旋转蒸发仪设备
|
||||
|
||||
Args:
|
||||
G: 设备图
|
||||
vessel: 指定的设备名称（可选）
|
||||
|
||||
Returns:
|
||||
str: 找到的旋转蒸发仪设备ID，如果没找到返回None
|
||||
"""
|
||||
debug_print("🔍 开始查找旋转蒸发仪设备... 🌪️")
|
||||
|
||||
# 如果指定了vessel，先检查是否存在且是旋转蒸发仪
|
||||
if vessel:
|
||||
debug_print(f"🎯 检查指定设备: {vessel} 🔧")
|
||||
if vessel in G.nodes():
|
||||
node_data = G.nodes[vessel]
|
||||
node_class = node_data.get('class', '')
|
||||
node_type = node_data.get('type', '')
|
||||
|
||||
debug_print(f"📋 设备信息 {vessel}: class={node_class}, type={node_type}")
|
||||
|
||||
# 检查是否为旋转蒸发仪
|
||||
if any(keyword in str(node_class).lower() for keyword in ['rotavap', 'rotary', 'evaporat']):
|
||||
debug_print(f"🎉 找到指定的旋转蒸发仪: {vessel} ✨")
|
||||
return vessel
|
||||
elif node_type == 'device':
|
||||
debug_print(f"✅ 指定设备存在，尝试直接使用: {vessel} 🔧")
|
||||
return vessel
|
||||
else:
|
||||
debug_print(f"❌ 指定的设备 {vessel} 不存在 😞")
|
||||
|
||||
# 在所有设备中查找旋转蒸发仪
|
||||
debug_print("🔎 在所有设备中搜索旋转蒸发仪... 🕵️♀️")
|
||||
rotavap_candidates = []
|
||||
|
||||
for node_id, node_data in G.nodes(data=True):
|
||||
node_class = node_data.get('class', '')
|
||||
node_type = node_data.get('type', '')
|
||||
|
||||
# 跳过非设备节点
|
||||
if node_type != 'device':
|
||||
continue
|
||||
|
||||
# 检查设备类型
|
||||
if any(keyword in str(node_class).lower() for keyword in ['rotavap', 'rotary', 'evaporat']):
|
||||
rotavap_candidates.append(node_id)
|
||||
debug_print(f"🌟 找到旋转蒸发仪候选: {node_id} (class: {node_class}) 🌪️")
|
||||
elif any(keyword in str(node_id).lower() for keyword in ['rotavap', 'rotary', 'evaporat']):
|
||||
rotavap_candidates.append(node_id)
|
||||
debug_print(f"🌟 找到旋转蒸发仪候选 (按名称): {node_id} 🌪️")
|
||||
|
||||
if rotavap_candidates:
|
||||
selected = rotavap_candidates[0] # 选择第一个找到的
|
||||
debug_print(f"🎯 选择旋转蒸发仪: {selected} 🏆")
|
||||
return selected
|
||||
|
||||
debug_print("😭 未找到旋转蒸发仪设备 💔")
|
||||
return None
|
||||
|
||||
def find_connected_vessel(G: nx.DiGraph, rotavap_device: str) -> Optional[str]:
|
||||
"""
|
||||
查找与旋转蒸发仪连接的容器
|
||||
|
||||
Args:
|
||||
G: 设备图
|
||||
rotavap_device: 旋转蒸发仪设备ID
|
||||
|
||||
Returns:
|
||||
str: 连接的容器ID，如果没找到返回None
|
||||
"""
|
||||
debug_print(f"🔗 查找与 {rotavap_device} 连接的容器... 🥽")
|
||||
|
||||
# 查看旋转蒸发仪的子设备
|
||||
rotavap_data = G.nodes[rotavap_device]
|
||||
children = rotavap_data.get('children', [])
|
||||
|
||||
debug_print(f"👶 检查子设备: {children}")
|
||||
for child_id in children:
|
||||
if child_id in G.nodes():
|
||||
child_data = G.nodes[child_id]
|
||||
child_type = child_data.get('type', '')
|
||||
|
||||
if child_type == 'container':
|
||||
debug_print(f"🎉 找到连接的容器: {child_id} 🥽✨")
|
||||
return child_id
|
||||
|
||||
# 查看邻接的容器
|
||||
debug_print("🤝 检查邻接设备...")
|
||||
for neighbor in G.neighbors(rotavap_device):
|
||||
neighbor_data = G.nodes[neighbor]
|
||||
neighbor_type = neighbor_data.get('type', '')
|
||||
|
||||
if neighbor_type == 'container':
|
||||
debug_print(f"🎉 找到邻接的容器: {neighbor} 🥽✨")
|
||||
return neighbor
|
||||
|
||||
debug_print("😞 未找到连接的容器 💔")
|
||||
return None
|
||||
|
||||
def generate_evaporate_protocol(
|
||||
G: nx.DiGraph,
|
||||
vessel: str,
|
||||
pressure: float,
|
||||
temp: float,
|
||||
time: float,
|
||||
stir_speed: float
|
||||
) -> list[dict]:
|
||||
G: nx.DiGraph,
|
||||
vessel: dict, # 🔧 修改：从字符串改为字典类型
|
||||
pressure: float = 0.1,
|
||||
temp: float = 60.0,
|
||||
time: Union[str, float] = "180", # 🔧 修改：支持字符串时间
|
||||
stir_speed: float = 100.0,
|
||||
solvent: str = "",
|
||||
**kwargs
|
||||
) -> List[Dict[str, Any]]:
|
||||
"""
|
||||
Generate a protocol to evaporate a solution from a vessel.
|
||||
生成蒸发操作的协议序列 - 支持单位和体积运算
|
||||
|
||||
:param G: Directed graph. Nodes are containers and pumps, edges are fluidic connections.
|
||||
:param vessel: Vessel to clean.
|
||||
:param solvent: Solvent to clean vessel with.
|
||||
:param volume: Volume of solvent to clean vessel with.
|
||||
:param temp: Temperature to heat vessel to while cleaning.
|
||||
:param repeats: Number of cleaning cycles to perform.
|
||||
:return: List of actions to clean vessel.
|
||||
Args:
|
||||
G: 设备图
|
||||
vessel: 容器字典（从XDL传入）
|
||||
pressure: 真空度 (bar)，默认0.1
|
||||
temp: 加热温度 (°C)，默认60
|
||||
time: 蒸发时间（支持 "3 min", "180", "0.5 h" 等）
|
||||
stir_speed: 旋转速度 (RPM)，默认100
|
||||
solvent: 溶剂名称（用于参数优化）
|
||||
**kwargs: 其他参数（兼容性）
|
||||
|
||||
Returns:
|
||||
List[Dict[str, Any]]: 动作序列
|
||||
"""
|
||||
|
||||
# 生成泵操作的动作序列
|
||||
pump_action_sequence = []
|
||||
reactor_volume = 500.0
|
||||
transfer_flowrate = flowrate = 2.5
|
||||
# 🔧 核心修改：从字典中提取容器ID
|
||||
# 统一处理vessel参数
|
||||
if isinstance(vessel, dict):
|
||||
if "id" not in vessel:
|
||||
vessel_id = list(vessel.values())[0].get("id", "")
|
||||
else:
|
||||
vessel_id = vessel.get("id", "")
|
||||
vessel_data = vessel.get("data", {})
|
||||
else:
|
||||
vessel_id = str(vessel)
|
||||
vessel_data = G.nodes[vessel_id].get("data", {}) if vessel_id in G.nodes() else {}
|
||||
|
||||
# 开启冷凝器
|
||||
pump_action_sequence.append({
|
||||
"device_id": "rotavap_chiller",
|
||||
"action_name": "set_temperature",
|
||||
"action_kwargs": {
|
||||
"command": "-40"
|
||||
}
|
||||
})
|
||||
# TODO: 通过温度反馈改为 HeatChillToTemp，而非等待固定时间
|
||||
pump_action_sequence.append({
|
||||
debug_print("🌟" * 20)
|
||||
debug_print("🌪️ 开始生成蒸发协议（支持单位和体积运算）✨")
|
||||
debug_print(f"📝 输入参数:")
|
||||
debug_print(f" 🥽 vessel: {vessel} (ID: {vessel_id})")
|
||||
debug_print(f" 💨 pressure: {pressure} bar")
|
||||
debug_print(f" 🌡️ temp: {temp}°C")
|
||||
debug_print(f" ⏰ time: {time} (类型: {type(time)})")
|
||||
debug_print(f" 🌪️ stir_speed: {stir_speed} RPM")
|
||||
debug_print(f" 🧪 solvent: '{solvent}'")
|
||||
debug_print("🌟" * 20)
|
||||
|
||||
# 🔧 新增：记录蒸发前的容器状态
|
||||
debug_print("🔍 记录蒸发前容器状态...")
|
||||
original_liquid_volume = 0.0
|
||||
if "data" in vessel and "liquid_volume" in vessel["data"]:
|
||||
current_volume = vessel["data"]["liquid_volume"]
|
||||
if isinstance(current_volume, list) and len(current_volume) > 0:
|
||||
original_liquid_volume = current_volume[0]
|
||||
elif isinstance(current_volume, (int, float)):
|
||||
original_liquid_volume = current_volume
|
||||
debug_print(f"📊 蒸发前液体体积: {original_liquid_volume:.2f}mL")
|
||||
|
||||
# === 步骤1: 查找旋转蒸发仪设备 ===
|
||||
debug_print("📍 步骤1: 查找旋转蒸发仪设备... 🔍")
|
||||
|
||||
# 验证vessel参数
|
||||
if not vessel_id:
|
||||
debug_print("❌ vessel 参数不能为空! 😱")
|
||||
raise ValueError("vessel 参数不能为空")
|
||||
|
||||
# 查找旋转蒸发仪设备
|
||||
rotavap_device = find_rotavap_device(G, vessel_id)
|
||||
if not rotavap_device:
|
||||
debug_print("💥 未找到旋转蒸发仪设备! 😭")
|
||||
raise ValueError(f"未找到旋转蒸发仪设备。请检查组态图中是否包含 class 包含 'rotavap'、'rotary' 或 'evaporat' 的设备")
|
||||
|
||||
debug_print(f"🎉 成功找到旋转蒸发仪: {rotavap_device} ✨")
|
||||
|
||||
# === 步骤2: 确定目标容器 ===
|
||||
debug_print("📍 步骤2: 确定目标容器... 🥽")
|
||||
|
||||
target_vessel = vessel_id
|
||||
|
||||
# 如果vessel就是旋转蒸发仪设备，查找连接的容器
|
||||
if vessel_id == rotavap_device:
|
||||
debug_print("🔄 vessel就是旋转蒸发仪，查找连接的容器...")
|
||||
connected_vessel = find_connected_vessel(G, rotavap_device)
|
||||
if connected_vessel:
|
||||
target_vessel = connected_vessel
|
||||
debug_print(f"✅ 使用连接的容器: {target_vessel} 🥽✨")
|
||||
else:
|
||||
debug_print(f"⚠️ 未找到连接的容器，使用设备本身: {rotavap_device} 🔧")
|
||||
target_vessel = rotavap_device
|
||||
elif vessel_id in G.nodes() and G.nodes[vessel_id].get('type') == 'container':
|
||||
debug_print(f"✅ 使用指定的容器: {vessel_id} 🥽✨")
|
||||
target_vessel = vessel_id
|
||||
else:
|
||||
debug_print(f"⚠️ 容器 '{vessel_id}' 不存在或类型不正确，使用旋转蒸发仪设备: {rotavap_device} 🔧")
|
||||
target_vessel = rotavap_device
|
||||
|
||||
# === 🔧 新增：步骤3：单位解析处理 ===
|
||||
debug_print("📍 步骤3: 单位解析处理... ⚡")
|
||||
|
||||
# 解析时间
|
||||
final_time = parse_time_input(time)
|
||||
debug_print(f"🎯 时间解析完成: {time} → {final_time}s ({final_time/60:.1f}分钟) ⏰✨")
|
||||
|
||||
# === 步骤4: 参数验证和修正 ===
|
||||
debug_print("📍 步骤4: 参数验证和修正... 🔧")
|
||||
|
||||
# 修正参数范围
|
||||
if pressure <= 0 or pressure > 1.0:
|
||||
debug_print(f"⚠️ 真空度 {pressure} bar 超出范围，修正为 0.1 bar 💨")
|
||||
pressure = 0.1
|
||||
else:
|
||||
debug_print(f"✅ 真空度 {pressure} bar 在正常范围内 💨")
|
||||
|
||||
if temp < 10.0 or temp > 200.0:
|
||||
debug_print(f"⚠️ 温度 {temp}°C 超出范围，修正为 60°C 🌡️")
|
||||
temp = 60.0
|
||||
else:
|
||||
debug_print(f"✅ 温度 {temp}°C 在正常范围内 🌡️")
|
||||
|
||||
if final_time <= 0:
|
||||
debug_print(f"⚠️ 时间 {final_time}s 无效，修正为 180s (3分钟) ⏰")
|
||||
final_time = 180.0
|
||||
else:
|
||||
debug_print(f"✅ 时间 {final_time}s ({final_time/60:.1f}分钟) 有效 ⏰")
|
||||
|
||||
if stir_speed < 10.0 or stir_speed > 300.0:
|
||||
debug_print(f"⚠️ 旋转速度 {stir_speed} RPM 超出范围，修正为 100 RPM 🌪️")
|
||||
stir_speed = 100.0
|
||||
else:
|
||||
debug_print(f"✅ 旋转速度 {stir_speed} RPM 在正常范围内 🌪️")
|
||||
|
||||
# 根据溶剂优化参数
|
||||
if solvent:
|
||||
debug_print(f"🧪 根据溶剂 '{solvent}' 优化参数... 🔬")
|
||||
solvent_lower = solvent.lower()
|
||||
|
||||
if any(s in solvent_lower for s in ['water', 'aqueous', 'h2o']):
|
||||
temp = max(temp, 80.0)
|
||||
pressure = max(pressure, 0.2)
|
||||
debug_print("💧 水系溶剂：提高温度和真空度 🌡️💨")
|
||||
elif any(s in solvent_lower for s in ['ethanol', 'methanol', 'acetone']):
|
||||
temp = min(temp, 50.0)
|
||||
pressure = min(pressure, 0.05)
|
||||
debug_print("🍺 易挥发溶剂：降低温度和真空度 🌡️💨")
|
||||
elif any(s in solvent_lower for s in ['dmso', 'dmi', 'toluene']):
|
||||
temp = max(temp, 100.0)
|
||||
pressure = min(pressure, 0.01)
|
||||
debug_print("🔥 高沸点溶剂：提高温度，降低真空度 🌡️💨")
|
||||
else:
|
||||
debug_print("🧪 通用溶剂，使用标准参数 ✨")
|
||||
else:
|
||||
debug_print("🤷♀️ 未指定溶剂，使用默认参数 ✨")
|
||||
|
||||
debug_print(f"🎯 最终参数: pressure={pressure} bar 💨, temp={temp}°C 🌡️, time={final_time}s ⏰, stir_speed={stir_speed} RPM 🌪️")
|
||||
|
||||
# === 🔧 新增：步骤5：蒸发体积计算 ===
|
||||
debug_print("📍 步骤5: 蒸发体积计算... 📊")
|
||||
|
||||
# 根据温度、真空度、时间和溶剂类型估算蒸发量
|
||||
evaporation_volume = 0.0
|
||||
if original_liquid_volume > 0:
|
||||
# 基础蒸发速率（mL/min）
|
||||
base_evap_rate = 0.5 # 基础速率
|
||||
|
||||
# 温度系数（高温蒸发更快）
|
||||
temp_factor = 1.0 + (temp - 25.0) / 100.0
|
||||
|
||||
# 真空系数（真空度越高蒸发越快）
|
||||
vacuum_factor = 1.0 + (1.0 - pressure) * 2.0
|
||||
|
||||
# 溶剂系数
|
||||
solvent_factor = 1.0
|
||||
if solvent:
|
||||
solvent_lower = solvent.lower()
|
||||
if any(s in solvent_lower for s in ['water', 'h2o']):
|
||||
solvent_factor = 0.8 # 水蒸发较慢
|
||||
elif any(s in solvent_lower for s in ['ethanol', 'methanol', 'acetone']):
|
||||
solvent_factor = 1.5 # 易挥发溶剂蒸发快
|
||||
elif any(s in solvent_lower for s in ['dmso', 'dmi']):
|
||||
solvent_factor = 0.3 # 高沸点溶剂蒸发慢
|
||||
|
||||
# 计算总蒸发量
|
||||
total_evap_rate = base_evap_rate * temp_factor * vacuum_factor * solvent_factor
|
||||
evaporation_volume = min(
|
||||
original_liquid_volume * 0.95, # 最多蒸发95%
|
||||
total_evap_rate * (final_time / 60.0) # 时间相关的蒸发量
|
||||
)
|
||||
|
||||
debug_print(f"📊 蒸发量计算:")
|
||||
debug_print(f" - 基础蒸发速率: {base_evap_rate} mL/min")
|
||||
debug_print(f" - 温度系数: {temp_factor:.2f} (基于 {temp}°C)")
|
||||
debug_print(f" - 真空系数: {vacuum_factor:.2f} (基于 {pressure} bar)")
|
||||
debug_print(f" - 溶剂系数: {solvent_factor:.2f} ({solvent or '通用'})")
|
||||
debug_print(f" - 总蒸发速率: {total_evap_rate:.2f} mL/min")
|
||||
debug_print(f" - 预计蒸发量: {evaporation_volume:.2f}mL ({evaporation_volume/original_liquid_volume*100:.1f}%)")
|
||||
|
||||
# === 步骤6: 生成动作序列 ===
|
||||
debug_print("📍 步骤6: 生成动作序列... 🎬")
|
||||
|
||||
action_sequence = []
|
||||
|
||||
# 1. 等待稳定
|
||||
debug_print(" 🔄 动作1: 添加初始等待稳定... ⏳")
|
||||
action_sequence.append({
|
||||
"action_name": "wait",
|
||||
"action_kwargs": {
|
||||
"time": 1800
|
||||
}
|
||||
"action_kwargs": {"time": 10}
|
||||
})
|
||||
debug_print(" ✅ 初始等待动作已添加 ⏳✨")
|
||||
|
||||
# 开启旋蒸真空泵、旋转，在液体转移后运行time时间
|
||||
pump_action_sequence.append({
|
||||
"device_id": "rotavap_controller",
|
||||
"action_name": "set_pump_time",
|
||||
"action_kwargs": {
|
||||
"command": str(time + reactor_volume / flowrate * 3)
|
||||
}
|
||||
})
|
||||
pump_action_sequence.append({
|
||||
"device_id": "rotavap_controller",
|
||||
"action_name": "set_pump_time",
|
||||
"action_kwargs": {
|
||||
"command": str(time + reactor_volume / flowrate * 3)
|
||||
}
|
||||
})
|
||||
# 2. 执行蒸发
|
||||
debug_print(f" 🌪️ 动作2: 执行蒸发操作...")
|
||||
debug_print(f" 🔧 设备: {rotavap_device}")
|
||||
debug_print(f" 🥽 容器: {target_vessel}")
|
||||
debug_print(f" 💨 真空度: {pressure} bar")
|
||||
debug_print(f" 🌡️ 温度: {temp}°C")
|
||||
debug_print(f" ⏰ 时间: {final_time}s ({final_time/60:.1f}分钟)")
|
||||
debug_print(f" 🌪️ 旋转速度: {stir_speed} RPM")
|
||||
|
||||
# 液体转入旋转蒸发器
|
||||
pump_action_sequence.append({
|
||||
"device_id": "",
|
||||
"action_name": "PumpTransferProtocol",
|
||||
evaporate_action = {
|
||||
"device_id": rotavap_device,
|
||||
"action_name": "evaporate",
|
||||
"action_kwargs": {
|
||||
"from_vessel": vessel,
|
||||
"to_vessel": "rotavap",
|
||||
"volume": reactor_volume,
|
||||
"time": reactor_volume / flowrate,
|
||||
# "transfer_flowrate": transfer_flowrate,
|
||||
"vessel": target_vessel,
|
||||
"pressure": float(pressure),
|
||||
"temp": float(temp),
|
||||
"time": float(final_time), # 🔧 强制转换为float类型
|
||||
"stir_speed": float(stir_speed),
|
||||
"solvent": str(solvent)
|
||||
}
|
||||
})
|
||||
}
|
||||
action_sequence.append(evaporate_action)
|
||||
debug_print(" ✅ 蒸发动作已添加 🌪️✨")
|
||||
|
||||
pump_action_sequence.append({
|
||||
# 🔧 新增：蒸发过程中的体积变化
|
||||
debug_print(" 🔧 更新容器体积 - 蒸发过程...")
|
||||
if evaporation_volume > 0:
|
||||
new_volume = max(0.0, original_liquid_volume - evaporation_volume)
|
||||
|
||||
# 更新vessel字典中的体积
|
||||
if "data" in vessel and "liquid_volume" in vessel["data"]:
|
||||
current_volume = vessel["data"]["liquid_volume"]
|
||||
if isinstance(current_volume, list):
|
||||
if len(current_volume) > 0:
|
||||
vessel["data"]["liquid_volume"][0] = new_volume
|
||||
else:
|
||||
vessel["data"]["liquid_volume"] = [new_volume]
|
||||
elif isinstance(current_volume, (int, float)):
|
||||
vessel["data"]["liquid_volume"] = new_volume
|
||||
else:
|
||||
vessel["data"]["liquid_volume"] = new_volume
|
||||
|
||||
# 🔧 同时更新图中的容器数据
|
||||
if vessel_id in G.nodes():
|
||||
if 'data' not in G.nodes[vessel_id]:
|
||||
G.nodes[vessel_id]['data'] = {}
|
||||
|
||||
vessel_node_data = G.nodes[vessel_id]['data']
|
||||
current_node_volume = vessel_node_data.get('liquid_volume', 0.0)
|
||||
|
||||
if isinstance(current_node_volume, list):
|
||||
if len(current_node_volume) > 0:
|
||||
G.nodes[vessel_id]['data']['liquid_volume'][0] = new_volume
|
||||
else:
|
||||
G.nodes[vessel_id]['data']['liquid_volume'] = [new_volume]
|
||||
else:
|
||||
G.nodes[vessel_id]['data']['liquid_volume'] = new_volume
|
||||
|
||||
debug_print(f" 📊 蒸发体积变化: {original_liquid_volume:.2f}mL → {new_volume:.2f}mL (-{evaporation_volume:.2f}mL)")
|
||||
|
||||
# 3. 蒸发后等待
|
||||
debug_print(" 🔄 动作3: 添加蒸发后等待... ⏳")
|
||||
action_sequence.append({
|
||||
"action_name": "wait",
|
||||
"action_kwargs": {
|
||||
"time": time
|
||||
}
|
||||
"action_kwargs": {"time": 10}
|
||||
})
|
||||
return pump_action_sequence
|
||||
debug_print(" ✅ 蒸发后等待动作已添加 ⏳✨")
|
||||
|
||||
# 🔧 新增：蒸发完成后的状态报告
|
||||
final_liquid_volume = 0.0
|
||||
if "data" in vessel and "liquid_volume" in vessel["data"]:
|
||||
current_volume = vessel["data"]["liquid_volume"]
|
||||
if isinstance(current_volume, list) and len(current_volume) > 0:
|
||||
final_liquid_volume = current_volume[0]
|
||||
elif isinstance(current_volume, (int, float)):
|
||||
final_liquid_volume = current_volume
|
||||
|
||||
# === 总结 ===
|
||||
debug_print("🎊" * 20)
|
||||
debug_print(f"🎉 蒸发协议生成完成! ✨")
|
||||
debug_print(f"📊 总动作数: {len(action_sequence)} 个 📝")
|
||||
debug_print(f"🌪️ 旋转蒸发仪: {rotavap_device} 🔧")
|
||||
debug_print(f"🥽 目标容器: {target_vessel} 🧪")
|
||||
debug_print(f"⚙️ 蒸发参数: {pressure} bar 💨, {temp}°C 🌡️, {final_time}s ⏰, {stir_speed} RPM 🌪️")
|
||||
debug_print(f"⏱️ 预计总时间: {(final_time + 20)/60:.1f} 分钟 ⌛")
|
||||
debug_print(f"📊 体积变化:")
|
||||
debug_print(f" - 蒸发前: {original_liquid_volume:.2f}mL")
|
||||
debug_print(f" - 蒸发后: {final_liquid_volume:.2f}mL")
|
||||
debug_print(f" - 蒸发量: {evaporation_volume:.2f}mL ({evaporation_volume/max(original_liquid_volume, 0.01)*100:.1f}%)")
|
||||
debug_print("🎊" * 20)
|
||||
|
||||
return action_sequence
|
||||
|
||||
375
unilabos/compile/filter_protocol.py
Normal file
375
unilabos/compile/filter_protocol.py
Normal file
@@ -0,0 +1,375 @@
|
||||
from typing import List, Dict, Any, Optional
|
||||
import networkx as nx
|
||||
import logging
|
||||
from .pump_protocol import generate_pump_protocol_with_rinsing
|
||||
|
||||
logger = logging.getLogger(__name__)
|
||||
|
||||
def debug_print(message):
|
||||
"""调试输出"""
|
||||
print(f"🧪 [FILTER] {message}", flush=True)
|
||||
logger.info(f"[FILTER] {message}")
|
||||
|
||||
def find_filter_device(G: nx.DiGraph) -> str:
|
||||
"""查找过滤器设备"""
|
||||
debug_print("🔍 查找过滤器设备... 🌊")
|
||||
|
||||
# 查找过滤器设备
|
||||
for node in G.nodes():
|
||||
node_data = G.nodes[node]
|
||||
node_class = node_data.get('class', '') or ''
|
||||
|
||||
if 'filter' in node_class.lower() or 'filter' in node.lower():
|
||||
debug_print(f"🎉 找到过滤器设备: {node} ✨")
|
||||
return node
|
||||
|
||||
# 如果没找到，寻找可能的过滤器名称
|
||||
debug_print("🔎 在预定义名称中搜索过滤器... 📋")
|
||||
possible_names = ["filter", "filter_1", "virtual_filter", "filtration_unit"]
|
||||
for name in possible_names:
|
||||
if name in G.nodes():
|
||||
debug_print(f"🎉 找到过滤器设备: {name} ✨")
|
||||
return name
|
||||
|
||||
debug_print("😭 未找到过滤器设备 💔")
|
||||
raise ValueError("未找到过滤器设备")
|
||||
|
||||
def validate_vessel(G: nx.DiGraph, vessel: str, vessel_type: str = "容器") -> None:
|
||||
"""验证容器是否存在"""
|
||||
debug_print(f"🔍 验证{vessel_type}: '{vessel}' 🧪")
|
||||
|
||||
if not vessel:
|
||||
debug_print(f"❌ {vessel_type}不能为空! 😱")
|
||||
raise ValueError(f"{vessel_type}不能为空")
|
||||
|
||||
if vessel not in G.nodes():
|
||||
debug_print(f"❌ {vessel_type} '{vessel}' 不存在于系统中! 😞")
|
||||
raise ValueError(f"{vessel_type} '{vessel}' 不存在于系统中")
|
||||
|
||||
debug_print(f"✅ {vessel_type} '{vessel}' 验证通过 🎯")
|
||||
|
||||
def generate_filter_protocol(
|
||||
G: nx.DiGraph,
|
||||
vessel: dict, # 🔧 修改：从字符串改为字典类型
|
||||
filtrate_vessel: str = "",
|
||||
**kwargs
|
||||
) -> List[Dict[str, Any]]:
|
||||
"""
|
||||
生成过滤操作的协议序列 - 支持体积运算
|
||||
|
||||
Args:
|
||||
G: 设备图
|
||||
vessel: 过滤容器字典（必需）- 包含需要过滤的混合物
|
||||
filtrate_vessel: 滤液容器名称（可选）- 如果提供则收集滤液
|
||||
**kwargs: 其他参数（兼容性）
|
||||
|
||||
Returns:
|
||||
List[Dict[str, Any]]: 过滤操作的动作序列
|
||||
"""
|
||||
|
||||
# 🔧 核心修改：从字典中提取容器ID
|
||||
# 统一处理vessel参数
|
||||
if isinstance(vessel, dict):
|
||||
if "id" not in vessel:
|
||||
vessel_id = list(vessel.values())[0].get("id", "")
|
||||
else:
|
||||
vessel_id = vessel.get("id", "")
|
||||
vessel_data = vessel.get("data", {})
|
||||
else:
|
||||
vessel_id = str(vessel)
|
||||
vessel_data = G.nodes[vessel_id].get("data", {}) if vessel_id in G.nodes() else {}
|
||||
|
||||
debug_print("🌊" * 20)
|
||||
debug_print("🚀 开始生成过滤协议（支持体积运算）✨")
|
||||
debug_print(f"📝 输入参数:")
|
||||
debug_print(f" 🥽 vessel: {vessel} (ID: {vessel_id})")
|
||||
debug_print(f" 🧪 filtrate_vessel: {filtrate_vessel}")
|
||||
debug_print(f" ⚙️ 其他参数: {kwargs}")
|
||||
debug_print("🌊" * 20)
|
||||
|
||||
action_sequence = []
|
||||
|
||||
# 🔧 新增：记录过滤前的容器状态
|
||||
debug_print("🔍 记录过滤前容器状态...")
|
||||
original_liquid_volume = 0.0
|
||||
if "data" in vessel and "liquid_volume" in vessel["data"]:
|
||||
current_volume = vessel["data"]["liquid_volume"]
|
||||
if isinstance(current_volume, list) and len(current_volume) > 0:
|
||||
original_liquid_volume = current_volume[0]
|
||||
elif isinstance(current_volume, (int, float)):
|
||||
original_liquid_volume = current_volume
|
||||
debug_print(f"📊 过滤前液体体积: {original_liquid_volume:.2f}mL")
|
||||
|
||||
# === 参数验证 ===
|
||||
debug_print("📍 步骤1: 参数验证... 🔧")
|
||||
|
||||
# 验证必需参数
|
||||
debug_print(" 🔍 验证必需参数...")
|
||||
validate_vessel(G, vessel_id, "过滤容器") # 🔧 使用 vessel_id
|
||||
debug_print(" ✅ 必需参数验证完成 🎯")
|
||||
|
||||
# 验证可选参数
|
||||
debug_print(" 🔍 验证可选参数...")
|
||||
if filtrate_vessel:
|
||||
validate_vessel(G, filtrate_vessel, "滤液容器")
|
||||
debug_print(" 🌊 模式: 过滤并收集滤液 💧")
|
||||
else:
|
||||
debug_print(" 🧱 模式: 过滤并收集固体 🔬")
|
||||
debug_print(" ✅ 可选参数验证完成 🎯")
|
||||
|
||||
# === 查找设备 ===
|
||||
debug_print("📍 步骤2: 查找设备... 🔍")
|
||||
|
||||
try:
|
||||
debug_print(" 🔎 搜索过滤器设备...")
|
||||
filter_device = find_filter_device(G)
|
||||
debug_print(f" 🎉 使用过滤器设备: {filter_device} 🌊✨")
|
||||
|
||||
except Exception as e:
|
||||
debug_print(f" ❌ 设备查找失败: {str(e)} 😭")
|
||||
raise ValueError(f"设备查找失败: {str(e)}")
|
||||
|
||||
# 🔧 新增：过滤效率和体积分配估算
|
||||
debug_print("📍 步骤2.5: 过滤体积分配估算... 📊")
|
||||
|
||||
# 估算过滤分离比例（基于经验数据）
|
||||
solid_ratio = 0.1 # 假设10%是固体（保留在过滤器上）
|
||||
liquid_ratio = 0.9 # 假设90%是液体（通过过滤器）
|
||||
volume_loss_ratio = 0.05 # 假设5%体积损失（残留在过滤器等）
|
||||
|
||||
# 从kwargs中获取过滤参数进行优化
|
||||
if "solid_content" in kwargs:
|
||||
try:
|
||||
solid_ratio = float(kwargs["solid_content"])
|
||||
liquid_ratio = 1.0 - solid_ratio
|
||||
debug_print(f"📋 使用指定的固体含量: {solid_ratio*100:.1f}%")
|
||||
except:
|
||||
debug_print("⚠️ 固体含量参数无效，使用默认值")
|
||||
|
||||
if original_liquid_volume > 0:
|
||||
expected_filtrate_volume = original_liquid_volume * liquid_ratio * (1.0 - volume_loss_ratio)
|
||||
expected_solid_volume = original_liquid_volume * solid_ratio
|
||||
volume_loss = original_liquid_volume * volume_loss_ratio
|
||||
|
||||
debug_print(f"📊 过滤体积分配估算:")
|
||||
debug_print(f" - 原始体积: {original_liquid_volume:.2f}mL")
|
||||
debug_print(f" - 预计滤液体积: {expected_filtrate_volume:.2f}mL ({liquid_ratio*100:.1f}%)")
|
||||
debug_print(f" - 预计固体体积: {expected_solid_volume:.2f}mL ({solid_ratio*100:.1f}%)")
|
||||
debug_print(f" - 预计损失体积: {volume_loss:.2f}mL ({volume_loss_ratio*100:.1f}%)")
|
||||
|
||||
# === 转移到过滤器（如果需要）===
|
||||
debug_print("📍 步骤3: 转移到过滤器... 🚚")
|
||||
|
||||
if vessel_id != filter_device: # 🔧 使用 vessel_id
|
||||
debug_print(f" 🚛 需要转移: {vessel_id} → {filter_device} 📦")
|
||||
|
||||
try:
|
||||
debug_print(" 🔄 开始执行转移操作...")
|
||||
# 使用pump protocol转移液体到过滤器
|
||||
transfer_actions = generate_pump_protocol_with_rinsing(
|
||||
G=G,
|
||||
from_vessel=vessel_id, # 🔧 使用 vessel_id
|
||||
to_vessel=filter_device,
|
||||
volume=0.0, # 转移所有液体
|
||||
amount="",
|
||||
time=0.0,
|
||||
viscous=False,
|
||||
rinsing_solvent="",
|
||||
rinsing_volume=0.0,
|
||||
rinsing_repeats=0,
|
||||
solid=False,
|
||||
flowrate=2.0,
|
||||
transfer_flowrate=2.0
|
||||
)
|
||||
|
||||
if transfer_actions:
|
||||
action_sequence.extend(transfer_actions)
|
||||
debug_print(f" ✅ 添加了 {len(transfer_actions)} 个转移动作 🚚✨")
|
||||
|
||||
# 🔧 新增：转移后更新容器体积
|
||||
debug_print(" 🔧 更新转移后的容器体积...")
|
||||
|
||||
# 原容器体积变为0（所有液体已转移）
|
||||
if "data" in vessel and "liquid_volume" in vessel["data"]:
|
||||
current_volume = vessel["data"]["liquid_volume"]
|
||||
if isinstance(current_volume, list):
|
||||
vessel["data"]["liquid_volume"] = [0.0] if len(current_volume) > 0 else [0.0]
|
||||
else:
|
||||
vessel["data"]["liquid_volume"] = 0.0
|
||||
|
||||
# 同时更新图中的容器数据
|
||||
if vessel_id in G.nodes():
|
||||
if 'data' not in G.nodes[vessel_id]:
|
||||
G.nodes[vessel_id]['data'] = {}
|
||||
G.nodes[vessel_id]['data']['liquid_volume'] = 0.0
|
||||
|
||||
debug_print(f" 📊 转移完成，{vessel_id} 体积更新为 0.0mL")
|
||||
|
||||
else:
|
||||
debug_print(" ⚠️ 转移协议返回空序列 🤔")
|
||||
|
||||
except Exception as e:
|
||||
debug_print(f" ❌ 转移失败: {str(e)} 😞")
|
||||
debug_print(" 🔄 继续执行，可能是直接连接的过滤器 🤞")
|
||||
else:
|
||||
debug_print(" ✅ 过滤容器就是过滤器，无需转移 🎯")
|
||||
|
||||
# === 执行过滤操作 ===
|
||||
debug_print("📍 步骤4: 执行过滤操作... 🌊")
|
||||
|
||||
# 构建过滤动作参数
|
||||
debug_print(" ⚙️ 构建过滤参数...")
|
||||
filter_kwargs = {
|
||||
"vessel": filter_device, # 过滤器设备
|
||||
"filtrate_vessel": filtrate_vessel, # 滤液容器（可能为空）
|
||||
"stir": kwargs.get("stir", False),
|
||||
"stir_speed": kwargs.get("stir_speed", 0.0),
|
||||
"temp": kwargs.get("temp", 25.0),
|
||||
"continue_heatchill": kwargs.get("continue_heatchill", False),
|
||||
"volume": kwargs.get("volume", 0.0) # 0表示过滤所有
|
||||
}
|
||||
|
||||
debug_print(f" 📋 过滤参数: {filter_kwargs}")
|
||||
debug_print(" 🌊 开始过滤操作...")
|
||||
|
||||
# 过滤动作
|
||||
filter_action = {
|
||||
"device_id": filter_device,
|
||||
"action_name": "filter",
|
||||
"action_kwargs": filter_kwargs
|
||||
}
|
||||
action_sequence.append(filter_action)
|
||||
debug_print(" ✅ 过滤动作已添加 🌊✨")
|
||||
|
||||
# 过滤后等待
|
||||
debug_print(" ⏳ 添加过滤后等待...")
|
||||
action_sequence.append({
|
||||
"action_name": "wait",
|
||||
"action_kwargs": {"time": 10.0}
|
||||
})
|
||||
debug_print(" ✅ 过滤后等待动作已添加 ⏰✨")
|
||||
|
||||
# === 收集滤液（如果需要）===
|
||||
debug_print("📍 步骤5: 收集滤液... 💧")
|
||||
|
||||
if filtrate_vessel:
|
||||
debug_print(f" 🧪 收集滤液: {filter_device} → {filtrate_vessel} 💧")
|
||||
|
||||
try:
|
||||
debug_print(" 🔄 开始执行收集操作...")
|
||||
# 使用pump protocol收集滤液
|
||||
collect_actions = generate_pump_protocol_with_rinsing(
|
||||
G=G,
|
||||
from_vessel=filter_device,
|
||||
to_vessel=filtrate_vessel,
|
||||
volume=0.0, # 收集所有滤液
|
||||
amount="",
|
||||
time=0.0,
|
||||
viscous=False,
|
||||
rinsing_solvent="",
|
||||
rinsing_volume=0.0,
|
||||
rinsing_repeats=0,
|
||||
solid=False,
|
||||
flowrate=2.0,
|
||||
transfer_flowrate=2.0
|
||||
)
|
||||
|
||||
if collect_actions:
|
||||
action_sequence.extend(collect_actions)
|
||||
debug_print(f" ✅ 添加了 {len(collect_actions)} 个收集动作 🧪✨")
|
||||
|
||||
# 🔧 新增：收集滤液后的体积更新
|
||||
debug_print(" 🔧 更新滤液容器体积...")
|
||||
|
||||
# 更新filtrate_vessel在图中的体积（如果它是节点）
|
||||
if filtrate_vessel in G.nodes():
|
||||
if 'data' not in G.nodes[filtrate_vessel]:
|
||||
G.nodes[filtrate_vessel]['data'] = {}
|
||||
|
||||
current_filtrate_volume = G.nodes[filtrate_vessel]['data'].get('liquid_volume', 0.0)
|
||||
if isinstance(current_filtrate_volume, list):
|
||||
if len(current_filtrate_volume) > 0:
|
||||
G.nodes[filtrate_vessel]['data']['liquid_volume'][0] += expected_filtrate_volume
|
||||
else:
|
||||
G.nodes[filtrate_vessel]['data']['liquid_volume'] = [expected_filtrate_volume]
|
||||
else:
|
||||
G.nodes[filtrate_vessel]['data']['liquid_volume'] = current_filtrate_volume + expected_filtrate_volume
|
||||
|
||||
debug_print(f" 📊 滤液容器 {filtrate_vessel} 体积增加 {expected_filtrate_volume:.2f}mL")
|
||||
|
||||
else:
|
||||
debug_print(" ⚠️ 收集协议返回空序列 🤔")
|
||||
|
||||
except Exception as e:
|
||||
debug_print(f" ❌ 收集滤液失败: {str(e)} 😞")
|
||||
debug_print(" 🔄 继续执行，可能滤液直接流入指定容器 🤞")
|
||||
else:
|
||||
debug_print(" 🧱 未指定滤液容器，固体保留在过滤器中 🔬")
|
||||
|
||||
# 🔧 新增：过滤完成后的容器状态更新
|
||||
debug_print("📍 步骤5.5: 过滤完成后状态更新... 📊")
|
||||
|
||||
if vessel_id == filter_device:
|
||||
# 如果过滤容器就是过滤器，需要更新其体积状态
|
||||
if original_liquid_volume > 0:
|
||||
if filtrate_vessel:
|
||||
# 收集滤液模式：过滤器中主要保留固体
|
||||
remaining_volume = expected_solid_volume
|
||||
debug_print(f" 🧱 过滤器中保留固体: {remaining_volume:.2f}mL")
|
||||
else:
|
||||
# 保留固体模式：过滤器中保留所有物质
|
||||
remaining_volume = original_liquid_volume * (1.0 - volume_loss_ratio)
|
||||
debug_print(f" 🔬 过滤器中保留所有物质: {remaining_volume:.2f}mL")
|
||||
|
||||
# 更新vessel字典中的体积
|
||||
if "data" in vessel and "liquid_volume" in vessel["data"]:
|
||||
current_volume = vessel["data"]["liquid_volume"]
|
||||
if isinstance(current_volume, list):
|
||||
vessel["data"]["liquid_volume"] = [remaining_volume] if len(current_volume) > 0 else [remaining_volume]
|
||||
else:
|
||||
vessel["data"]["liquid_volume"] = remaining_volume
|
||||
|
||||
# 同时更新图中的容器数据
|
||||
if vessel_id in G.nodes():
|
||||
if 'data' not in G.nodes[vessel_id]:
|
||||
G.nodes[vessel_id]['data'] = {}
|
||||
G.nodes[vessel_id]['data']['liquid_volume'] = remaining_volume
|
||||
|
||||
debug_print(f" 📊 过滤器 {vessel_id} 体积更新为: {remaining_volume:.2f}mL")
|
||||
|
||||
# === 最终等待 ===
|
||||
debug_print("📍 步骤6: 最终等待... ⏰")
|
||||
action_sequence.append({
|
||||
"action_name": "wait",
|
||||
"action_kwargs": {"time": 5.0}
|
||||
})
|
||||
debug_print(" ✅ 最终等待动作已添加 ⏰✨")
|
||||
|
||||
# 🔧 新增：过滤完成后的状态报告
|
||||
final_vessel_volume = 0.0
|
||||
if "data" in vessel and "liquid_volume" in vessel["data"]:
|
||||
current_volume = vessel["data"]["liquid_volume"]
|
||||
if isinstance(current_volume, list) and len(current_volume) > 0:
|
||||
final_vessel_volume = current_volume[0]
|
||||
elif isinstance(current_volume, (int, float)):
|
||||
final_vessel_volume = current_volume
|
||||
|
||||
# === 总结 ===
|
||||
debug_print("🎊" * 20)
|
||||
debug_print(f"🎉 过滤协议生成完成! ✨")
|
||||
debug_print(f"📊 总动作数: {len(action_sequence)} 个 📝")
|
||||
debug_print(f"🥽 过滤容器: {vessel_id} 🧪")
|
||||
debug_print(f"🌊 过滤器设备: {filter_device} 🔧")
|
||||
debug_print(f"💧 滤液容器: {filtrate_vessel or '无（保留固体）'} 🧱")
|
||||
debug_print(f"⏱️ 预计总时间: {(len(action_sequence) * 5):.0f} 秒 ⌛")
|
||||
if original_liquid_volume > 0:
|
||||
debug_print(f"📊 体积变化统计:")
|
||||
debug_print(f" - 过滤前体积: {original_liquid_volume:.2f}mL")
|
||||
debug_print(f" - 过滤后容器体积: {final_vessel_volume:.2f}mL")
|
||||
if filtrate_vessel:
|
||||
debug_print(f" - 预计滤液体积: {expected_filtrate_volume:.2f}mL")
|
||||
debug_print(f" - 预计损失体积: {volume_loss:.2f}mL")
|
||||
debug_print("🎊" * 20)
|
||||
|
||||
return action_sequence
|
||||
|
||||
387
unilabos/compile/filter_through_protocol.py
Normal file
387
unilabos/compile/filter_through_protocol.py
Normal file
@@ -0,0 +1,387 @@
|
||||
from typing import List, Dict, Any
|
||||
import networkx as nx
|
||||
from .pump_protocol import generate_pump_protocol
|
||||
|
||||
|
||||
def get_vessel_liquid_volume(G: nx.DiGraph, vessel: str) -> float:
|
||||
"""获取容器中的液体体积"""
|
||||
if vessel not in G.nodes():
|
||||
return 0.0
|
||||
|
||||
vessel_data = G.nodes[vessel].get('data', {})
|
||||
liquids = vessel_data.get('liquid', [])
|
||||
|
||||
total_volume = 0.0
|
||||
for liquid in liquids:
|
||||
if isinstance(liquid, dict) and 'liquid_volume' in liquid:
|
||||
total_volume += liquid['liquid_volume']
|
||||
|
||||
return total_volume
|
||||
|
||||
|
||||
def find_filter_through_vessel(G: nx.DiGraph, filter_through: str) -> str:
|
||||
"""查找过滤介质容器"""
|
||||
# 直接使用 filter_through 参数作为容器名称
|
||||
if filter_through in G.nodes():
|
||||
return filter_through
|
||||
|
||||
# 尝试常见的过滤介质容器命名
|
||||
possible_names = [
|
||||
f"filter_{filter_through}",
|
||||
f"{filter_through}_filter",
|
||||
f"column_{filter_through}",
|
||||
f"{filter_through}_column",
|
||||
"filter_through_vessel",
|
||||
"column_vessel",
|
||||
"chromatography_column",
|
||||
"filter_column"
|
||||
]
|
||||
|
||||
for vessel_name in possible_names:
|
||||
if vessel_name in G.nodes():
|
||||
return vessel_name
|
||||
|
||||
raise ValueError(f"未找到过滤介质容器 '{filter_through}'。尝试了以下名称: {[filter_through] + possible_names}")
|
||||
|
||||
|
||||
def find_eluting_solvent_vessel(G: nx.DiGraph, eluting_solvent: str) -> str:
|
||||
"""查找洗脱溶剂容器"""
|
||||
if not eluting_solvent:
|
||||
return ""
|
||||
|
||||
# 按照命名规则查找溶剂瓶
|
||||
solvent_vessel_id = f"flask_{eluting_solvent}"
|
||||
|
||||
if solvent_vessel_id in G.nodes():
|
||||
return solvent_vessel_id
|
||||
|
||||
# 如果直接匹配失败，尝试模糊匹配
|
||||
for node in G.nodes():
|
||||
if node.startswith('flask_') and eluting_solvent.lower() in node.lower():
|
||||
return node
|
||||
|
||||
# 如果还是找不到，列出所有可用的溶剂瓶
|
||||
available_flasks = [node for node in G.nodes()
|
||||
if node.startswith('flask_')
|
||||
and G.nodes[node].get('type') == 'container']
|
||||
|
||||
raise ValueError(f"找不到洗脱溶剂 '{eluting_solvent}' 对应的溶剂瓶。可用溶剂瓶: {available_flasks}")
|
||||
|
||||
|
||||
def generate_filter_through_protocol(
|
||||
G: nx.DiGraph,
|
||||
from_vessel: str,
|
||||
to_vessel: str,
|
||||
filter_through: str,
|
||||
eluting_solvent: str = "",
|
||||
eluting_volume: float = 0.0,
|
||||
eluting_repeats: int = 0,
|
||||
residence_time: float = 0.0
|
||||
) -> List[Dict[str, Any]]:
|
||||
"""
|
||||
生成通过过滤介质过滤的协议序列，复用 pump_protocol 的成熟算法
|
||||
|
||||
过滤流程：
|
||||
1. 液体转移：将样品从源容器转移到过滤介质
|
||||
2. 重力过滤：液体通过过滤介质自动流到目标容器
|
||||
3. 洗脱操作：将洗脱溶剂通过过滤介质洗脱目标物质
|
||||
|
||||
Args:
|
||||
G: 有向图，节点为设备和容器，边为流体管道
|
||||
from_vessel: 源容器的名称，即物质起始所在的容器
|
||||
to_vessel: 目标容器的名称，物质过滤后要到达的容器
|
||||
filter_through: 过滤时所通过的介质，如滤纸、柱子等
|
||||
eluting_solvent: 洗脱溶剂的名称，可选参数
|
||||
eluting_volume: 洗脱溶剂的体积，可选参数
|
||||
eluting_repeats: 洗脱操作的重复次数，默认为 0
|
||||
residence_time: 物质在过滤介质中的停留时间，可选参数
|
||||
|
||||
Returns:
|
||||
List[Dict[str, Any]]: 过滤操作的动作序列
|
||||
|
||||
Raises:
|
||||
ValueError: 当找不到必要的设备或容器时
|
||||
|
||||
Examples:
|
||||
filter_through_actions = generate_filter_through_protocol(
|
||||
G, "reaction_mixture", "collection_bottle_1", "celite", "ethanol", 20.0, 2, 30.0
|
||||
)
|
||||
"""
|
||||
action_sequence = []
|
||||
|
||||
print(f"FILTER_THROUGH: 开始生成通过过滤协议")
|
||||
print(f" - 源容器: {from_vessel}")
|
||||
print(f" - 目标容器: {to_vessel}")
|
||||
print(f" - 过滤介质: {filter_through}")
|
||||
print(f" - 洗脱溶剂: {eluting_solvent}")
|
||||
print(f" - 洗脱体积: {eluting_volume} mL" if eluting_volume > 0 else " - 洗脱体积: 无")
|
||||
print(f" - 洗脱重复次数: {eluting_repeats}")
|
||||
print(f" - 停留时间: {residence_time}s" if residence_time > 0 else " - 停留时间: 无")
|
||||
|
||||
# 验证源容器和目标容器存在
|
||||
if from_vessel not in G.nodes():
|
||||
raise ValueError(f"源容器 '{from_vessel}' 不存在于系统中")
|
||||
|
||||
if to_vessel not in G.nodes():
|
||||
raise ValueError(f"目标容器 '{to_vessel}' 不存在于系统中")
|
||||
|
||||
# 获取源容器中的液体体积
|
||||
source_volume = get_vessel_liquid_volume(G, from_vessel)
|
||||
print(f"FILTER_THROUGH: 源容器 {from_vessel} 中有 {source_volume} mL 液体")
|
||||
|
||||
# 查找过滤介质容器
|
||||
try:
|
||||
filter_through_vessel = find_filter_through_vessel(G, filter_through)
|
||||
print(f"FILTER_THROUGH: 找到过滤介质容器: {filter_through_vessel}")
|
||||
except ValueError as e:
|
||||
raise ValueError(f"无法找到过滤介质容器: {str(e)}")
|
||||
|
||||
# 查找洗脱溶剂容器（如果需要）
|
||||
eluting_vessel = ""
|
||||
if eluting_solvent and eluting_volume > 0 and eluting_repeats > 0:
|
||||
try:
|
||||
eluting_vessel = find_eluting_solvent_vessel(G, eluting_solvent)
|
||||
print(f"FILTER_THROUGH: 找到洗脱溶剂容器: {eluting_vessel}")
|
||||
except ValueError as e:
|
||||
raise ValueError(f"无法找到洗脱溶剂容器: {str(e)}")
|
||||
|
||||
# === 第一步：将样品从源容器转移到过滤介质 ===
|
||||
transfer_volume = source_volume if source_volume > 0 else 100.0 # 默认100mL
|
||||
print(f"FILTER_THROUGH: 将 {transfer_volume} mL 样品从 {from_vessel} 转移到 {filter_through_vessel}")
|
||||
|
||||
try:
|
||||
# 使用成熟的 pump_protocol 算法进行液体转移
|
||||
sample_transfer_actions = generate_pump_protocol(
|
||||
G=G,
|
||||
from_vessel=from_vessel,
|
||||
to_vessel=filter_through_vessel,
|
||||
volume=transfer_volume,
|
||||
flowrate=0.8, # 较慢的流速，避免冲击过滤介质
|
||||
transfer_flowrate=1.2
|
||||
)
|
||||
action_sequence.extend(sample_transfer_actions)
|
||||
except Exception as e:
|
||||
raise ValueError(f"无法将样品转移到过滤介质: {str(e)}")
|
||||
|
||||
# === 第二步：等待样品通过过滤介质（停留时间） ===
|
||||
if residence_time > 0:
|
||||
print(f"FILTER_THROUGH: 等待样品在过滤介质中停留 {residence_time}s")
|
||||
action_sequence.append({
|
||||
"action_name": "wait",
|
||||
"action_kwargs": {"time": residence_time}
|
||||
})
|
||||
else:
|
||||
# 即使没有指定停留时间，也等待一段时间让液体通过
|
||||
default_wait_time = max(10, transfer_volume / 10) # 根据体积估算等待时间
|
||||
print(f"FILTER_THROUGH: 等待样品通过过滤介质 {default_wait_time}s")
|
||||
action_sequence.append({
|
||||
"action_name": "wait",
|
||||
"action_kwargs": {"time": default_wait_time}
|
||||
})
|
||||
|
||||
# === 第三步：洗脱操作（如果指定了洗脱参数） ===
|
||||
if eluting_solvent and eluting_volume > 0 and eluting_repeats > 0 and eluting_vessel:
|
||||
print(f"FILTER_THROUGH: 开始洗脱操作 - {eluting_repeats} 次，每次 {eluting_volume} mL {eluting_solvent}")
|
||||
|
||||
for repeat_idx in range(eluting_repeats):
|
||||
print(f"FILTER_THROUGH: 第 {repeat_idx + 1}/{eluting_repeats} 次洗脱")
|
||||
|
||||
try:
|
||||
# 将洗脱溶剂转移到过滤介质
|
||||
eluting_transfer_actions = generate_pump_protocol(
|
||||
G=G,
|
||||
from_vessel=eluting_vessel,
|
||||
to_vessel=filter_through_vessel,
|
||||
volume=eluting_volume,
|
||||
flowrate=0.6, # 洗脱用更慢的流速
|
||||
transfer_flowrate=1.0
|
||||
)
|
||||
action_sequence.extend(eluting_transfer_actions)
|
||||
except Exception as e:
|
||||
raise ValueError(f"第 {repeat_idx + 1} 次洗脱转移失败: {str(e)}")
|
||||
|
||||
# 等待洗脱溶剂通过过滤介质
|
||||
eluting_wait_time = max(30, eluting_volume / 5) # 根据洗脱体积估算等待时间
|
||||
print(f"FILTER_THROUGH: 等待第 {repeat_idx + 1} 次洗脱液通过 {eluting_wait_time}s")
|
||||
action_sequence.append({
|
||||
"action_name": "wait",
|
||||
"action_kwargs": {"time": eluting_wait_time}
|
||||
})
|
||||
|
||||
# 洗脱间隔等待
|
||||
if repeat_idx < eluting_repeats - 1: # 不是最后一次洗脱
|
||||
action_sequence.append({
|
||||
"action_name": "wait",
|
||||
"action_kwargs": {"time": 10}
|
||||
})
|
||||
|
||||
# === 第四步：最终等待，确保所有液体完全通过 ===
|
||||
print(f"FILTER_THROUGH: 最终等待，确保所有液体完全通过过滤介质")
|
||||
action_sequence.append({
|
||||
"action_name": "wait",
|
||||
"action_kwargs": {"time": 20}
|
||||
})
|
||||
|
||||
print(f"FILTER_THROUGH: 生成了 {len(action_sequence)} 个动作")
|
||||
print(f"FILTER_THROUGH: 通过过滤协议生成完成")
|
||||
print(f"FILTER_THROUGH: 样品从 {from_vessel} 通过 {filter_through} 到达 {to_vessel}")
|
||||
if eluting_repeats > 0:
|
||||
total_eluting_volume = eluting_volume * eluting_repeats
|
||||
print(f"FILTER_THROUGH: 总洗脱体积: {total_eluting_volume} mL {eluting_solvent}")
|
||||
|
||||
return action_sequence
|
||||
|
||||
|
||||
# 便捷函数：常用过滤方案
|
||||
def generate_gravity_column_protocol(
|
||||
G: nx.DiGraph,
|
||||
from_vessel: str,
|
||||
to_vessel: str,
|
||||
column_material: str = "silica_gel"
|
||||
) -> List[Dict[str, Any]]:
|
||||
"""重力柱层析：简单重力过滤，无洗脱"""
|
||||
return generate_filter_through_protocol(G, from_vessel, to_vessel, column_material, "", 0.0, 0, 0.0)
|
||||
|
||||
|
||||
def generate_celite_filter_protocol(
|
||||
G: nx.DiGraph,
|
||||
from_vessel: str,
|
||||
to_vessel: str,
|
||||
wash_solvent: str = "ethanol",
|
||||
wash_volume: float = 20.0
|
||||
) -> List[Dict[str, Any]]:
|
||||
"""硅藻土过滤：用于去除固体杂质"""
|
||||
return generate_filter_through_protocol(G, from_vessel, to_vessel, "celite", wash_solvent, wash_volume, 1, 30.0)
|
||||
|
||||
|
||||
def generate_column_chromatography_protocol(
|
||||
G: nx.DiGraph,
|
||||
from_vessel: str,
|
||||
to_vessel: str,
|
||||
column_material: str = "silica_gel",
|
||||
eluting_solvent: str = "ethyl_acetate",
|
||||
eluting_volume: float = 30.0,
|
||||
eluting_repeats: int = 3
|
||||
) -> List[Dict[str, Any]]:
|
||||
"""柱层析：多次洗脱分离"""
|
||||
return generate_filter_through_protocol(
|
||||
G, from_vessel, to_vessel, column_material, eluting_solvent, eluting_volume, eluting_repeats, 60.0
|
||||
)
|
||||
|
||||
|
||||
def generate_solid_phase_extraction_protocol(
|
||||
G: nx.DiGraph,
|
||||
from_vessel: str,
|
||||
to_vessel: str,
|
||||
spe_cartridge: str = "C18",
|
||||
eluting_solvent: str = "methanol",
|
||||
eluting_volume: float = 15.0,
|
||||
eluting_repeats: int = 2
|
||||
) -> List[Dict[str, Any]]:
|
||||
"""固相萃取：C18柱或其他SPE柱"""
|
||||
return generate_filter_through_protocol(
|
||||
G, from_vessel, to_vessel, spe_cartridge, eluting_solvent, eluting_volume, eluting_repeats, 120.0
|
||||
)
|
||||
|
||||
|
||||
def generate_resin_filter_protocol(
|
||||
G: nx.DiGraph,
|
||||
from_vessel: str,
|
||||
to_vessel: str,
|
||||
resin_type: str = "ion_exchange",
|
||||
regeneration_solvent: str = "NaCl_solution",
|
||||
regeneration_volume: float = 25.0
|
||||
) -> List[Dict[str, Any]]:
|
||||
"""树脂过滤：离子交换树脂或其他功能树脂"""
|
||||
return generate_filter_through_protocol(
|
||||
G, from_vessel, to_vessel, resin_type, regeneration_solvent, regeneration_volume, 1, 180.0
|
||||
)
|
||||
|
||||
|
||||
def generate_multi_step_purification_protocol(
|
||||
G: nx.DiGraph,
|
||||
from_vessel: str,
|
||||
to_vessel: str,
|
||||
filter_steps: List[Dict[str, Any]]
|
||||
) -> List[Dict[str, Any]]:
|
||||
"""
|
||||
多步骤纯化：连续多个过滤介质
|
||||
|
||||
Args:
|
||||
G: 网络图
|
||||
from_vessel: 源容器
|
||||
to_vessel: 最终目标容器
|
||||
filter_steps: 过滤步骤列表，每个元素包含过滤参数
|
||||
|
||||
Returns:
|
||||
List[Dict[str, Any]]: 完整的动作序列
|
||||
|
||||
Example:
|
||||
filter_steps = [
|
||||
{
|
||||
"to_vessel": "intermediate_vessel_1",
|
||||
"filter_through": "celite",
|
||||
"eluting_solvent": "",
|
||||
"eluting_volume": 0.0,
|
||||
"eluting_repeats": 0,
|
||||
"residence_time": 30.0
|
||||
},
|
||||
{
|
||||
"from_vessel": "intermediate_vessel_1",
|
||||
"to_vessel": "final_vessel",
|
||||
"filter_through": "silica_gel",
|
||||
"eluting_solvent": "ethyl_acetate",
|
||||
"eluting_volume": 20.0,
|
||||
"eluting_repeats": 2,
|
||||
"residence_time": 60.0
|
||||
}
|
||||
]
|
||||
"""
|
||||
action_sequence = []
|
||||
|
||||
current_from_vessel = from_vessel
|
||||
|
||||
for i, step in enumerate(filter_steps):
|
||||
print(f"FILTER_THROUGH: 处理第 {i+1}/{len(filter_steps)} 个过滤步骤")
|
||||
|
||||
# 使用步骤中指定的参数，或使用默认值
|
||||
step_from_vessel = step.get('from_vessel', current_from_vessel)
|
||||
step_to_vessel = step.get('to_vessel', to_vessel if i == len(filter_steps) - 1 else f"intermediate_vessel_{i+1}")
|
||||
|
||||
# 生成单个过滤步骤的协议
|
||||
step_actions = generate_filter_through_protocol(
|
||||
G=G,
|
||||
from_vessel=step_from_vessel,
|
||||
to_vessel=step_to_vessel,
|
||||
filter_through=step.get('filter_through', 'silica_gel'),
|
||||
eluting_solvent=step.get('eluting_solvent', ''),
|
||||
eluting_volume=step.get('eluting_volume', 0.0),
|
||||
eluting_repeats=step.get('eluting_repeats', 0),
|
||||
residence_time=step.get('residence_time', 0.0)
|
||||
)
|
||||
|
||||
action_sequence.extend(step_actions)
|
||||
|
||||
# 更新下一步的源容器
|
||||
current_from_vessel = step_to_vessel
|
||||
|
||||
# 在步骤之间加入等待时间
|
||||
if i < len(filter_steps) - 1: # 不是最后一个步骤
|
||||
action_sequence.append({
|
||||
"action_name": "wait",
|
||||
"action_kwargs": {"time": 15}
|
||||
})
|
||||
|
||||
print(f"FILTER_THROUGH: 多步骤纯化协议生成完成，共 {len(action_sequence)} 个动作")
|
||||
return action_sequence
|
||||
|
||||
|
||||
# 测试函数
|
||||
def test_filter_through_protocol():
|
||||
"""测试通过过滤协议的示例"""
|
||||
print("=== FILTER THROUGH PROTOCOL 测试 ===")
|
||||
print("测试完成")
|
||||
|
||||
|
||||
if __name__ == "__main__":
|
||||
test_filter_through_protocol()
|
||||
405
unilabos/compile/heatchill_protocol.py
Normal file
405
unilabos/compile/heatchill_protocol.py
Normal file
@@ -0,0 +1,405 @@
|
||||
from typing import List, Dict, Any, Union
|
||||
import networkx as nx
|
||||
import logging
|
||||
import re
|
||||
|
||||
logger = logging.getLogger(__name__)
|
||||
|
||||
def debug_print(message):
|
||||
"""调试输出"""
|
||||
print(f"🌡️ [HEATCHILL] {message}", flush=True)
|
||||
logger.info(f"[HEATCHILL] {message}")
|
||||
|
||||
def parse_time_input(time_input: Union[str, float, int]) -> float:
|
||||
"""
|
||||
解析时间输入（统一函数）
|
||||
|
||||
Args:
|
||||
time_input: 时间输入（如 "30 min", "1 h", "300", "?", 60.0）
|
||||
|
||||
Returns:
|
||||
float: 时间（秒）
|
||||
"""
|
||||
if not time_input:
|
||||
return 300.0
|
||||
|
||||
# 🔢 处理数值输入
|
||||
if isinstance(time_input, (int, float)):
|
||||
result = float(time_input)
|
||||
debug_print(f"⏰ 数值时间: {time_input} → {result}s")
|
||||
return result
|
||||
|
||||
# 📝 处理字符串输入
|
||||
time_str = str(time_input).lower().strip()
|
||||
debug_print(f"🔍 解析时间: '{time_str}'")
|
||||
|
||||
# ❓ 特殊值处理
|
||||
special_times = {
|
||||
'?': 300.0, 'unknown': 300.0, 'tbd': 300.0,
|
||||
'overnight': 43200.0, 'several hours': 10800.0,
|
||||
'few hours': 7200.0, 'long time': 3600.0, 'short time': 300.0
|
||||
}
|
||||
|
||||
if time_str in special_times:
|
||||
result = special_times[time_str]
|
||||
debug_print(f"🎯 特殊时间: '{time_str}' → {result}s ({result/60:.1f}分钟)")
|
||||
return result
|
||||
|
||||
# 🔢 纯数字处理
|
||||
try:
|
||||
result = float(time_str)
|
||||
debug_print(f"⏰ 纯数字: {time_str} → {result}s")
|
||||
return result
|
||||
except ValueError:
|
||||
pass
|
||||
|
||||
# 📐 正则表达式解析
|
||||
pattern = r'(\d+\.?\d*)\s*([a-z]*)'
|
||||
match = re.match(pattern, time_str)
|
||||
|
||||
if not match:
|
||||
debug_print(f"⚠️ 无法解析时间: '{time_str}'，使用默认值: 300s")
|
||||
return 300.0
|
||||
|
||||
value = float(match.group(1))
|
||||
unit = match.group(2) or 's'
|
||||
|
||||
# 📏 单位转换
|
||||
unit_multipliers = {
|
||||
's': 1.0, 'sec': 1.0, 'second': 1.0, 'seconds': 1.0,
|
||||
'm': 60.0, 'min': 60.0, 'mins': 60.0, 'minute': 60.0, 'minutes': 60.0,
|
||||
'h': 3600.0, 'hr': 3600.0, 'hrs': 3600.0, 'hour': 3600.0, 'hours': 3600.0,
|
||||
'd': 86400.0, 'day': 86400.0, 'days': 86400.0
|
||||
}
|
||||
|
||||
multiplier = unit_multipliers.get(unit, 1.0)
|
||||
result = value * multiplier
|
||||
|
||||
debug_print(f"✅ 时间解析: '{time_str}' → {value} {unit} → {result}s ({result/60:.1f}分钟)")
|
||||
return result
|
||||
|
||||
def parse_temp_input(temp_input: Union[str, float], default_temp: float = 25.0) -> float:
|
||||
"""
|
||||
解析温度输入（统一函数）
|
||||
|
||||
Args:
|
||||
temp_input: 温度输入
|
||||
default_temp: 默认温度
|
||||
|
||||
Returns:
|
||||
float: 温度（°C）
|
||||
"""
|
||||
if not temp_input:
|
||||
return default_temp
|
||||
|
||||
# 🔢 数值输入
|
||||
if isinstance(temp_input, (int, float)):
|
||||
result = float(temp_input)
|
||||
debug_print(f"🌡️ 数值温度: {temp_input} → {result}°C")
|
||||
return result
|
||||
|
||||
# 📝 字符串输入
|
||||
temp_str = str(temp_input).lower().strip()
|
||||
debug_print(f"🔍 解析温度: '{temp_str}'")
|
||||
|
||||
# 🎯 特殊温度
|
||||
special_temps = {
|
||||
"room temperature": 25.0, "reflux": 78.0, "ice bath": 0.0,
|
||||
"boiling": 100.0, "hot": 60.0, "warm": 40.0, "cold": 10.0
|
||||
}
|
||||
|
||||
if temp_str in special_temps:
|
||||
result = special_temps[temp_str]
|
||||
debug_print(f"🎯 特殊温度: '{temp_str}' → {result}°C")
|
||||
return result
|
||||
|
||||
# 📐 正则解析（如 "256 °C"）
|
||||
temp_pattern = r'(\d+(?:\.\d+)?)\s*°?[cf]?'
|
||||
match = re.search(temp_pattern, temp_str)
|
||||
|
||||
if match:
|
||||
result = float(match.group(1))
|
||||
debug_print(f"✅ 温度解析: '{temp_str}' → {result}°C")
|
||||
return result
|
||||
|
||||
debug_print(f"⚠️ 无法解析温度: '{temp_str}'，使用默认值: {default_temp}°C")
|
||||
return default_temp
|
||||
|
||||
def find_connected_heatchill(G: nx.DiGraph, vessel: str) -> str:
|
||||
"""查找与指定容器相连的加热/冷却设备"""
|
||||
debug_print(f"🔍 查找加热设备，目标容器: {vessel}")
|
||||
|
||||
# 🔧 查找所有加热设备
|
||||
heatchill_nodes = []
|
||||
for node in G.nodes():
|
||||
node_data = G.nodes[node]
|
||||
node_class = node_data.get('class', '') or ''
|
||||
|
||||
if 'heatchill' in node_class.lower() or 'virtual_heatchill' in node_class:
|
||||
heatchill_nodes.append(node)
|
||||
debug_print(f"🎉 找到加热设备: {node}")
|
||||
|
||||
# 🔗 检查连接
|
||||
if vessel and heatchill_nodes:
|
||||
for heatchill in heatchill_nodes:
|
||||
if G.has_edge(heatchill, vessel) or G.has_edge(vessel, heatchill):
|
||||
debug_print(f"✅ 加热设备 '{heatchill}' 与容器 '{vessel}' 相连")
|
||||
return heatchill
|
||||
|
||||
# 🎯 使用第一个可用设备
|
||||
if heatchill_nodes:
|
||||
selected = heatchill_nodes[0]
|
||||
debug_print(f"🔧 使用第一个加热设备: {selected}")
|
||||
return selected
|
||||
|
||||
# 🆘 默认设备
|
||||
debug_print("⚠️ 未找到加热设备，使用默认设备")
|
||||
return "heatchill_1"
|
||||
|
||||
def validate_and_fix_params(temp: float, time: float, stir_speed: float) -> tuple:
|
||||
"""验证和修正参数"""
|
||||
# 🌡️ 温度范围验证
|
||||
if temp < -50.0 or temp > 300.0:
|
||||
debug_print(f"⚠️ 温度 {temp}°C 超出范围，修正为 25°C")
|
||||
temp = 25.0
|
||||
else:
|
||||
debug_print(f"✅ 温度 {temp}°C 在正常范围内")
|
||||
|
||||
# ⏰ 时间验证
|
||||
if time < 0:
|
||||
debug_print(f"⚠️ 时间 {time}s 无效，修正为 300s")
|
||||
time = 300.0
|
||||
else:
|
||||
debug_print(f"✅ 时间 {time}s ({time/60:.1f}分钟) 有效")
|
||||
|
||||
# 🌪️ 搅拌速度验证
|
||||
if stir_speed < 0 or stir_speed > 1500.0:
|
||||
debug_print(f"⚠️ 搅拌速度 {stir_speed} RPM 超出范围，修正为 300 RPM")
|
||||
stir_speed = 300.0
|
||||
else:
|
||||
debug_print(f"✅ 搅拌速度 {stir_speed} RPM 在正常范围内")
|
||||
|
||||
return temp, time, stir_speed
|
||||
|
||||
def generate_heat_chill_protocol(
|
||||
G: nx.DiGraph,
|
||||
vessel: dict, # 🔧 修改：从字符串改为字典类型
|
||||
temp: float = 25.0,
|
||||
time: Union[str, float] = "300",
|
||||
temp_spec: str = "",
|
||||
time_spec: str = "",
|
||||
pressure: str = "",
|
||||
reflux_solvent: str = "",
|
||||
stir: bool = False,
|
||||
stir_speed: float = 300.0,
|
||||
purpose: str = "",
|
||||
**kwargs
|
||||
) -> List[Dict[str, Any]]:
|
||||
"""
|
||||
生成加热/冷却操作的协议序列 - 支持vessel字典
|
||||
|
||||
Args:
|
||||
G: 设备图
|
||||
vessel: 容器字典（从XDL传入）
|
||||
temp: 目标温度 (°C)
|
||||
time: 加热时间（支持字符串如 "30 min"）
|
||||
temp_spec: 温度规格说明（优先级高于temp）
|
||||
time_spec: 时间规格说明（优先级高于time）
|
||||
pressure: 压力设置
|
||||
reflux_solvent: 回流溶剂
|
||||
stir: 是否搅拌
|
||||
stir_speed: 搅拌速度 (RPM)
|
||||
purpose: 操作目的说明
|
||||
**kwargs: 其他参数（兼容性）
|
||||
|
||||
Returns:
|
||||
List[Dict[str, Any]]: 加热/冷却操作的动作序列
|
||||
"""
|
||||
|
||||
# 🔧 核心修改：从字典中提取容器ID
|
||||
# 统一处理vessel参数
|
||||
if isinstance(vessel, dict):
|
||||
if "id" not in vessel:
|
||||
vessel_id = list(vessel.values())[0].get("id", "")
|
||||
else:
|
||||
vessel_id = vessel.get("id", "")
|
||||
vessel_data = vessel.get("data", {})
|
||||
else:
|
||||
vessel_id = str(vessel)
|
||||
vessel_data = G.nodes[vessel_id].get("data", {}) if vessel_id in G.nodes() else {}
|
||||
|
||||
debug_print("🌡️" * 20)
|
||||
debug_print("🚀 开始生成加热冷却协议（支持vessel字典）✨")
|
||||
debug_print(f"📝 输入参数:")
|
||||
debug_print(f" 🥽 vessel: {vessel} (ID: {vessel_id})")
|
||||
debug_print(f" 🌡️ temp: {temp}°C")
|
||||
debug_print(f" ⏰ time: {time}")
|
||||
debug_print(f" 🎯 temp_spec: {temp_spec}")
|
||||
debug_print(f" ⏱️ time_spec: {time_spec}")
|
||||
debug_print(f" 🌪️ stir: {stir} ({stir_speed} RPM)")
|
||||
debug_print(f" 🎭 purpose: '{purpose}'")
|
||||
debug_print("🌡️" * 20)
|
||||
|
||||
# 📋 参数验证
|
||||
debug_print("📍 步骤1: 参数验证... 🔧")
|
||||
if not vessel_id: # 🔧 使用 vessel_id
|
||||
debug_print("❌ vessel 参数不能为空! 😱")
|
||||
raise ValueError("vessel 参数不能为空")
|
||||
|
||||
if vessel_id not in G.nodes(): # 🔧 使用 vessel_id
|
||||
debug_print(f"❌ 容器 '{vessel_id}' 不存在于系统中! 😞")
|
||||
raise ValueError(f"容器 '{vessel_id}' 不存在于系统中")
|
||||
|
||||
debug_print("✅ 基础参数验证通过 🎯")
|
||||
|
||||
# 🔄 参数解析
|
||||
debug_print("📍 步骤2: 参数解析... ⚡")
|
||||
|
||||
#温度解析：优先使用 temp_spec
|
||||
final_temp = parse_temp_input(temp_spec, temp) if temp_spec else temp
|
||||
|
||||
# 时间解析：优先使用 time_spec
|
||||
final_time = parse_time_input(time_spec) if time_spec else parse_time_input(time)
|
||||
|
||||
# 参数修正
|
||||
final_temp, final_time, stir_speed = validate_and_fix_params(final_temp, final_time, stir_speed)
|
||||
|
||||
debug_print(f"🎯 最终参数: temp={final_temp}°C, time={final_time}s, stir_speed={stir_speed} RPM")
|
||||
|
||||
# 🔍 查找设备
|
||||
debug_print("📍 步骤3: 查找加热设备... 🔍")
|
||||
try:
|
||||
heatchill_id = find_connected_heatchill(G, vessel_id) # 🔧 使用 vessel_id
|
||||
debug_print(f"🎉 使用加热设备: {heatchill_id} ✨")
|
||||
except Exception as e:
|
||||
debug_print(f"❌ 设备查找失败: {str(e)} 😭")
|
||||
raise ValueError(f"无法找到加热设备: {str(e)}")
|
||||
|
||||
# 🚀 生成动作
|
||||
debug_print("📍 步骤4: 生成加热动作... 🔥")
|
||||
|
||||
# 🕐 模拟运行时间优化
|
||||
debug_print(" ⏱️ 检查模拟运行时间限制...")
|
||||
original_time = final_time
|
||||
simulation_time_limit = 100.0 # 模拟运行时间限制：100秒
|
||||
|
||||
if final_time > simulation_time_limit:
|
||||
final_time = simulation_time_limit
|
||||
debug_print(f" 🎮 模拟运行优化: {original_time}s → {final_time}s (限制为{simulation_time_limit}s) ⚡")
|
||||
debug_print(f" 📊 时间缩短: {original_time/60:.1f}分钟 → {final_time/60:.1f}分钟 🚀")
|
||||
else:
|
||||
debug_print(f" ✅ 时间在限制内: {final_time}s ({final_time/60:.1f}分钟) 保持不变 🎯")
|
||||
|
||||
action_sequence = []
|
||||
heatchill_action = {
|
||||
"device_id": heatchill_id,
|
||||
"action_name": "heat_chill",
|
||||
"action_kwargs": {
|
||||
"vessel": vessel_id, # 🔧 使用 vessel_id
|
||||
"temp": float(final_temp),
|
||||
"time": float(final_time),
|
||||
"stir": bool(stir),
|
||||
"stir_speed": float(stir_speed),
|
||||
"purpose": str(purpose or f"加热到 {final_temp}°C") + (f" (模拟时间: {final_time}s)" if original_time != final_time else "")
|
||||
}
|
||||
}
|
||||
action_sequence.append(heatchill_action)
|
||||
debug_print("✅ 加热动作已添加 🔥✨")
|
||||
|
||||
# 显示时间调整信息
|
||||
if original_time != final_time:
|
||||
debug_print(f" 🎭 模拟优化说明: 原计划 {original_time/60:.1f}分钟，实际模拟 {final_time/60:.1f}分钟 ⚡")
|
||||
|
||||
# 🎊 总结
|
||||
debug_print("🎊" * 20)
|
||||
debug_print(f"🎉 加热冷却协议生成完成! ✨")
|
||||
debug_print(f"📊 总动作数: {len(action_sequence)} 个")
|
||||
debug_print(f"🥽 加热容器: {vessel_id}")
|
||||
debug_print(f"🌡️ 目标温度: {final_temp}°C")
|
||||
debug_print(f"⏰ 加热时间: {final_time}s ({final_time/60:.1f}分钟)")
|
||||
debug_print("🎊" * 20)
|
||||
|
||||
return action_sequence
|
||||
|
||||
def generate_heat_chill_to_temp_protocol(
|
||||
G: nx.DiGraph,
|
||||
vessel: dict, # 🔧 修改参数类型
|
||||
temp: float = 25.0,
|
||||
time: Union[str, float] = 100.0,
|
||||
**kwargs
|
||||
) -> List[Dict[str, Any]]:
|
||||
"""生成加热到指定温度的协议（简化版）"""
|
||||
vessel_id = vessel["id"]
|
||||
debug_print(f"🌡️ 生成加热到温度协议: {vessel_id} → {temp}°C")
|
||||
return generate_heat_chill_protocol(G, vessel, temp, time, **kwargs)
|
||||
|
||||
def generate_heat_chill_start_protocol(
|
||||
G: nx.DiGraph,
|
||||
vessel: dict, # 🔧 修改参数类型
|
||||
temp: float = 25.0,
|
||||
purpose: str = "",
|
||||
**kwargs
|
||||
) -> List[Dict[str, Any]]:
|
||||
"""生成开始加热操作的协议序列"""
|
||||
|
||||
# 🔧 核心修改：从字典中提取容器ID
|
||||
vessel_id = vessel["id"]
|
||||
|
||||
debug_print("🔥 开始生成启动加热协议 ✨")
|
||||
debug_print(f"🥽 vessel: {vessel} (ID: {vessel_id}), 🌡️ temp: {temp}°C")
|
||||
|
||||
# 基础验证
|
||||
if not vessel_id or vessel_id not in G.nodes(): # 🔧 使用 vessel_id
|
||||
debug_print("❌ 容器验证失败!")
|
||||
raise ValueError("vessel 参数无效")
|
||||
|
||||
# 查找设备
|
||||
heatchill_id = find_connected_heatchill(G, vessel_id) # 🔧 使用 vessel_id
|
||||
|
||||
# 生成动作
|
||||
action_sequence = [{
|
||||
"device_id": heatchill_id,
|
||||
"action_name": "heat_chill_start",
|
||||
"action_kwargs": {
|
||||
"vessel": vessel_id, # 🔧 使用 vessel_id
|
||||
"temp": temp,
|
||||
"purpose": purpose or f"开始加热到 {temp}°C"
|
||||
}
|
||||
}]
|
||||
|
||||
debug_print(f"✅ 启动加热协议生成完成 🎯")
|
||||
return action_sequence
|
||||
|
||||
def generate_heat_chill_stop_protocol(
|
||||
G: nx.DiGraph,
|
||||
vessel: dict, # 🔧 修改参数类型
|
||||
**kwargs
|
||||
) -> List[Dict[str, Any]]:
|
||||
"""生成停止加热操作的协议序列"""
|
||||
|
||||
# 🔧 核心修改：从字典中提取容器ID
|
||||
vessel_id = vessel["id"]
|
||||
|
||||
debug_print("🛑 开始生成停止加热协议 ✨")
|
||||
debug_print(f"🥽 vessel: {vessel} (ID: {vessel_id})")
|
||||
|
||||
# 基础验证
|
||||
if not vessel_id or vessel_id not in G.nodes(): # 🔧 使用 vessel_id
|
||||
debug_print("❌ 容器验证失败!")
|
||||
raise ValueError("vessel 参数无效")
|
||||
|
||||
# 查找设备
|
||||
heatchill_id = find_connected_heatchill(G, vessel_id) # 🔧 使用 vessel_id
|
||||
|
||||
# 生成动作
|
||||
action_sequence = [{
|
||||
"device_id": heatchill_id,
|
||||
"action_name": "heat_chill_stop",
|
||||
"action_kwargs": {
|
||||
"vessel": vessel_id # 🔧 使用 vessel_id
|
||||
}
|
||||
}]
|
||||
|
||||
debug_print(f"✅ 停止加热协议生成完成 🎯")
|
||||
return action_sequence
|
||||
|
||||
466
unilabos/compile/hydrogenate_protocol.py
Normal file
466
unilabos/compile/hydrogenate_protocol.py
Normal file
@@ -0,0 +1,466 @@
|
||||
import networkx as nx
|
||||
from typing import List, Dict, Any, Optional
|
||||
|
||||
|
||||
def parse_temperature(temp_str: str) -> float:
|
||||
"""
|
||||
解析温度字符串，支持多种格式
|
||||
|
||||
Args:
|
||||
temp_str: 温度字符串（如 "45 °C", "45°C", "45"）
|
||||
|
||||
Returns:
|
||||
float: 温度值（摄氏度）
|
||||
"""
|
||||
try:
|
||||
# 移除常见的温度单位和符号
|
||||
temp_clean = temp_str.replace("°C", "").replace("°", "").replace("C", "").strip()
|
||||
return float(temp_clean)
|
||||
except ValueError:
|
||||
print(f"HYDROGENATE: 无法解析温度 '{temp_str}'，使用默认温度 25°C")
|
||||
return 25.0
|
||||
|
||||
|
||||
def parse_time(time_str: str) -> float:
|
||||
"""
|
||||
解析时间字符串，支持多种格式
|
||||
|
||||
Args:
|
||||
time_str: 时间字符串（如 "2 h", "120 min", "7200 s"）
|
||||
|
||||
Returns:
|
||||
float: 时间值（秒）
|
||||
"""
|
||||
try:
|
||||
time_clean = time_str.lower().strip()
|
||||
|
||||
# 处理小时
|
||||
if "h" in time_clean:
|
||||
hours = float(time_clean.replace("h", "").strip())
|
||||
return hours * 3600.0
|
||||
|
||||
# 处理分钟
|
||||
if "min" in time_clean:
|
||||
minutes = float(time_clean.replace("min", "").strip())
|
||||
return minutes * 60.0
|
||||
|
||||
# 处理秒
|
||||
if "s" in time_clean:
|
||||
seconds = float(time_clean.replace("s", "").strip())
|
||||
return seconds
|
||||
|
||||
# 默认按小时处理
|
||||
return float(time_clean) * 3600.0
|
||||
|
||||
except ValueError:
|
||||
print(f"HYDROGENATE: 无法解析时间 '{time_str}'，使用默认时间 2小时")
|
||||
return 7200.0 # 2小时
|
||||
|
||||
|
||||
def find_associated_solenoid_valve(G: nx.DiGraph, device_id: str) -> Optional[str]:
|
||||
"""查找与指定设备相关联的电磁阀"""
|
||||
solenoid_valves = [
|
||||
node for node in G.nodes()
|
||||
if ('solenoid' in (G.nodes[node].get('class') or '').lower()
|
||||
or 'solenoid_valve' in node)
|
||||
]
|
||||
|
||||
# 通过网络连接查找直接相连的电磁阀
|
||||
for solenoid in solenoid_valves:
|
||||
if G.has_edge(device_id, solenoid) or G.has_edge(solenoid, device_id):
|
||||
return solenoid
|
||||
|
||||
# 通过命名规则查找关联的电磁阀
|
||||
device_type = ""
|
||||
if 'gas' in device_id.lower():
|
||||
device_type = "gas"
|
||||
elif 'h2' in device_id.lower() or 'hydrogen' in device_id.lower():
|
||||
device_type = "gas"
|
||||
|
||||
if device_type:
|
||||
for solenoid in solenoid_valves:
|
||||
if device_type in solenoid.lower():
|
||||
return solenoid
|
||||
|
||||
return None
|
||||
|
||||
|
||||
def find_connected_device(G: nx.DiGraph, vessel: str, device_type: str) -> str:
|
||||
"""
|
||||
查找与容器相连的指定类型设备
|
||||
|
||||
Args:
|
||||
G: 网络图
|
||||
vessel: 容器名称
|
||||
device_type: 设备类型 ('heater', 'stirrer', 'gas_source')
|
||||
|
||||
Returns:
|
||||
str: 设备ID，如果没有则返回None
|
||||
"""
|
||||
print(f"HYDROGENATE: 正在查找与容器 '{vessel}' 相连的 {device_type}...")
|
||||
|
||||
# 根据设备类型定义搜索关键词
|
||||
if device_type == 'heater':
|
||||
keywords = ['heater', 'heat', 'heatchill']
|
||||
device_class = 'virtual_heatchill'
|
||||
elif device_type == 'stirrer':
|
||||
keywords = ['stirrer', 'stir']
|
||||
device_class = 'virtual_stirrer'
|
||||
elif device_type == 'gas_source':
|
||||
keywords = ['gas', 'h2', 'hydrogen']
|
||||
device_class = 'virtual_gas_source'
|
||||
else:
|
||||
return None
|
||||
|
||||
# 查找设备节点
|
||||
device_nodes = []
|
||||
for node in G.nodes():
|
||||
node_data = G.nodes[node]
|
||||
node_name = node.lower()
|
||||
node_class = node_data.get('class', '').lower()
|
||||
|
||||
# 通过名称匹配
|
||||
if any(keyword in node_name for keyword in keywords):
|
||||
device_nodes.append(node)
|
||||
# 通过类型匹配
|
||||
elif device_class in node_class:
|
||||
device_nodes.append(node)
|
||||
|
||||
print(f"HYDROGENATE: 找到的{device_type}节点: {device_nodes}")
|
||||
|
||||
# 检查是否有设备与目标容器相连
|
||||
for device in device_nodes:
|
||||
if G.has_edge(device, vessel) or G.has_edge(vessel, device):
|
||||
print(f"HYDROGENATE: 找到与容器 '{vessel}' 相连的{device_type}: {device}")
|
||||
return device
|
||||
|
||||
# 如果没有直接连接，查找距离最近的设备
|
||||
for device in device_nodes:
|
||||
try:
|
||||
path = nx.shortest_path(G, source=device, target=vessel)
|
||||
if len(path) <= 3: # 最多2个中间节点
|
||||
print(f"HYDROGENATE: 找到距离较近的{device_type}: {device}")
|
||||
return device
|
||||
except nx.NetworkXNoPath:
|
||||
continue
|
||||
|
||||
print(f"HYDROGENATE: 未找到与容器 '{vessel}' 相连的{device_type}")
|
||||
return None
|
||||
|
||||
|
||||
def generate_hydrogenate_protocol(
|
||||
G: nx.DiGraph,
|
||||
vessel: dict, # 🔧 修改：从字符串改为字典类型
|
||||
temp: str,
|
||||
time: str,
|
||||
**kwargs # 接收其他可能的参数但不使用
|
||||
) -> List[Dict[str, Any]]:
|
||||
"""
|
||||
生成氢化反应协议序列 - 支持vessel字典
|
||||
|
||||
Args:
|
||||
G: 有向图，节点为容器和设备
|
||||
vessel: 反应容器字典（从XDL传入）
|
||||
temp: 反应温度（如 "45 °C"）
|
||||
time: 反应时间（如 "2 h"）
|
||||
**kwargs: 其他可选参数，但不使用
|
||||
|
||||
Returns:
|
||||
List[Dict[str, Any]]: 动作序列
|
||||
"""
|
||||
|
||||
# 🔧 核心修改：从字典中提取容器ID
|
||||
# 统一处理vessel参数
|
||||
if isinstance(vessel, dict):
|
||||
if "id" not in vessel:
|
||||
vessel_id = list(vessel.values())[0].get("id", "")
|
||||
else:
|
||||
vessel_id = vessel.get("id", "")
|
||||
vessel_data = vessel.get("data", {})
|
||||
else:
|
||||
vessel_id = str(vessel)
|
||||
vessel_data = G.nodes[vessel_id].get("data", {}) if vessel_id in G.nodes() else {}
|
||||
|
||||
action_sequence = []
|
||||
|
||||
# 解析参数
|
||||
temperature = parse_temperature(temp)
|
||||
reaction_time = parse_time(time)
|
||||
|
||||
print("🧪" * 20)
|
||||
print(f"HYDROGENATE: 开始生成氢化反应协议（支持vessel字典）✨")
|
||||
print(f"📝 输入参数:")
|
||||
print(f" 🥽 vessel: {vessel} (ID: {vessel_id})")
|
||||
print(f" 🌡️ 反应温度: {temperature}°C")
|
||||
print(f" ⏰ 反应时间: {reaction_time/3600:.1f} 小时")
|
||||
print("🧪" * 20)
|
||||
|
||||
# 🔧 新增：记录氢化前的容器状态（可选，氢化反应通常不改变体积）
|
||||
original_liquid_volume = 0.0
|
||||
if "data" in vessel and "liquid_volume" in vessel["data"]:
|
||||
current_volume = vessel["data"]["liquid_volume"]
|
||||
if isinstance(current_volume, list) and len(current_volume) > 0:
|
||||
original_liquid_volume = current_volume[0]
|
||||
elif isinstance(current_volume, (int, float)):
|
||||
original_liquid_volume = current_volume
|
||||
print(f"📊 氢化前液体体积: {original_liquid_volume:.2f}mL")
|
||||
|
||||
# 1. 验证目标容器存在
|
||||
print("📍 步骤1: 验证目标容器...")
|
||||
if vessel_id not in G.nodes(): # 🔧 使用 vessel_id
|
||||
print(f"⚠️ HYDROGENATE: 警告 - 容器 '{vessel_id}' 不存在于系统中，跳过氢化反应")
|
||||
return action_sequence
|
||||
print(f"✅ 容器 '{vessel_id}' 验证通过")
|
||||
|
||||
# 2. 查找相连的设备
|
||||
print("📍 步骤2: 查找相连设备...")
|
||||
heater_id = find_connected_device(G, vessel_id, 'heater') # 🔧 使用 vessel_id
|
||||
stirrer_id = find_connected_device(G, vessel_id, 'stirrer') # 🔧 使用 vessel_id
|
||||
gas_source_id = find_connected_device(G, vessel_id, 'gas_source') # 🔧 使用 vessel_id
|
||||
|
||||
print(f"🔧 设备配置:")
|
||||
print(f" 🔥 加热器: {heater_id or '未找到'}")
|
||||
print(f" 🌪️ 搅拌器: {stirrer_id or '未找到'}")
|
||||
print(f" 💨 气源: {gas_source_id or '未找到'}")
|
||||
|
||||
# 3. 启动搅拌器
|
||||
print("📍 步骤3: 启动搅拌器...")
|
||||
if stirrer_id:
|
||||
print(f"🌪️ 启动搅拌器 {stirrer_id}")
|
||||
action_sequence.append({
|
||||
"device_id": stirrer_id,
|
||||
"action_name": "start_stir",
|
||||
"action_kwargs": {
|
||||
"vessel": vessel_id, # 🔧 使用 vessel_id
|
||||
"stir_speed": 300.0,
|
||||
"purpose": "氢化反应: 开始搅拌"
|
||||
}
|
||||
})
|
||||
print("✅ 搅拌器启动动作已添加")
|
||||
else:
|
||||
print(f"⚠️ HYDROGENATE: 警告 - 未找到搅拌器，继续执行")
|
||||
|
||||
# 4. 启动气源（氢气）
|
||||
print("📍 步骤4: 启动氢气源...")
|
||||
if gas_source_id:
|
||||
print(f"💨 启动气源 {gas_source_id} (氢气)")
|
||||
action_sequence.append({
|
||||
"device_id": gas_source_id,
|
||||
"action_name": "set_status",
|
||||
"action_kwargs": {
|
||||
"string": "ON"
|
||||
}
|
||||
})
|
||||
|
||||
# 查找相关的电磁阀
|
||||
gas_solenoid = find_associated_solenoid_valve(G, gas_source_id)
|
||||
if gas_solenoid:
|
||||
print(f"🚪 开启气源电磁阀 {gas_solenoid}")
|
||||
action_sequence.append({
|
||||
"device_id": gas_solenoid,
|
||||
"action_name": "set_valve_position",
|
||||
"action_kwargs": {
|
||||
"command": "OPEN"
|
||||
}
|
||||
})
|
||||
print("✅ 氢气源启动动作已添加")
|
||||
else:
|
||||
print(f"⚠️ HYDROGENATE: 警告 - 未找到气源，继续执行")
|
||||
|
||||
# 5. 等待气体稳定
|
||||
print("📍 步骤5: 等待气体环境稳定...")
|
||||
action_sequence.append({
|
||||
"action_name": "wait",
|
||||
"action_kwargs": {
|
||||
"time": 30.0,
|
||||
"description": "等待氢气环境稳定"
|
||||
}
|
||||
})
|
||||
print("✅ 气体稳定等待动作已添加")
|
||||
|
||||
# 6. 启动加热器
|
||||
print("📍 步骤6: 启动加热反应...")
|
||||
if heater_id:
|
||||
print(f"🔥 启动加热器 {heater_id} 到 {temperature}°C")
|
||||
action_sequence.append({
|
||||
"device_id": heater_id,
|
||||
"action_name": "heat_chill_start",
|
||||
"action_kwargs": {
|
||||
"vessel": vessel_id, # 🔧 使用 vessel_id
|
||||
"temp": temperature,
|
||||
"purpose": f"氢化反应: 加热到 {temperature}°C"
|
||||
}
|
||||
})
|
||||
|
||||
# 等待温度稳定
|
||||
action_sequence.append({
|
||||
"action_name": "wait",
|
||||
"action_kwargs": {
|
||||
"time": 20.0,
|
||||
"description": f"等待温度稳定到 {temperature}°C"
|
||||
}
|
||||
})
|
||||
|
||||
# 🕐 模拟运行时间优化
|
||||
print(" ⏰ 检查模拟运行时间限制...")
|
||||
original_reaction_time = reaction_time
|
||||
simulation_time_limit = 60.0 # 模拟运行时间限制：60秒
|
||||
|
||||
if reaction_time > simulation_time_limit:
|
||||
reaction_time = simulation_time_limit
|
||||
print(f" 🎮 模拟运行优化: {original_reaction_time}s → {reaction_time}s (限制为{simulation_time_limit}s)")
|
||||
print(f" 📊 时间缩短: {original_reaction_time/3600:.2f}小时 → {reaction_time/60:.1f}分钟")
|
||||
else:
|
||||
print(f" ✅ 时间在限制内: {reaction_time}s ({reaction_time/60:.1f}分钟) 保持不变")
|
||||
|
||||
# 保持反应温度
|
||||
action_sequence.append({
|
||||
"device_id": heater_id,
|
||||
"action_name": "heat_chill",
|
||||
"action_kwargs": {
|
||||
"vessel": vessel_id, # 🔧 使用 vessel_id
|
||||
"temp": temperature,
|
||||
"time": reaction_time,
|
||||
"purpose": f"氢化反应: 保持 {temperature}°C，反应 {reaction_time/60:.1f}分钟" + (f" (模拟时间)" if original_reaction_time != reaction_time else "")
|
||||
}
|
||||
})
|
||||
|
||||
# 显示时间调整信息
|
||||
if original_reaction_time != reaction_time:
|
||||
print(f" 🎭 模拟优化说明: 原计划 {original_reaction_time/3600:.2f}小时，实际模拟 {reaction_time/60:.1f}分钟")
|
||||
|
||||
print("✅ 加热反应动作已添加")
|
||||
|
||||
else:
|
||||
print(f"⚠️ HYDROGENATE: 警告 - 未找到加热器，使用室温反应")
|
||||
|
||||
# 🕐 室温反应也需要时间优化
|
||||
print(" ⏰ 检查室温反应模拟时间限制...")
|
||||
original_reaction_time = reaction_time
|
||||
simulation_time_limit = 60.0 # 模拟运行时间限制：60秒
|
||||
|
||||
if reaction_time > simulation_time_limit:
|
||||
reaction_time = simulation_time_limit
|
||||
print(f" 🎮 室温反应时间优化: {original_reaction_time}s → {reaction_time}s")
|
||||
print(f" 📊 时间缩短: {original_reaction_time/3600:.2f}小时 → {reaction_time/60:.1f}分钟")
|
||||
else:
|
||||
print(f" ✅ 室温反应时间在限制内: {reaction_time}s 保持不变")
|
||||
|
||||
# 室温反应，只等待时间
|
||||
action_sequence.append({
|
||||
"action_name": "wait",
|
||||
"action_kwargs": {
|
||||
"time": reaction_time,
|
||||
"description": f"室温氢化反应 {reaction_time/60:.1f}分钟" + (f" (模拟时间)" if original_reaction_time != reaction_time else "")
|
||||
}
|
||||
})
|
||||
|
||||
# 显示时间调整信息
|
||||
if original_reaction_time != reaction_time:
|
||||
print(f" 🎭 室温反应优化说明: 原计划 {original_reaction_time/3600:.2f}小时，实际模拟 {reaction_time/60:.1f}分钟")
|
||||
|
||||
print("✅ 室温反应等待动作已添加")
|
||||
|
||||
# 7. 停止加热
|
||||
print("📍 步骤7: 停止加热...")
|
||||
if heater_id:
|
||||
action_sequence.append({
|
||||
"device_id": heater_id,
|
||||
"action_name": "heat_chill_stop",
|
||||
"action_kwargs": {
|
||||
"vessel": vessel_id, # 🔧 使用 vessel_id
|
||||
"purpose": "氢化反应完成，停止加热"
|
||||
}
|
||||
})
|
||||
print("✅ 停止加热动作已添加")
|
||||
|
||||
# 8. 等待冷却
|
||||
print("📍 步骤8: 等待冷却...")
|
||||
action_sequence.append({
|
||||
"action_name": "wait",
|
||||
"action_kwargs": {
|
||||
"time": 300.0,
|
||||
"description": "等待反应混合物冷却"
|
||||
}
|
||||
})
|
||||
print("✅ 冷却等待动作已添加")
|
||||
|
||||
# 9. 停止气源
|
||||
print("📍 步骤9: 停止氢气源...")
|
||||
if gas_source_id:
|
||||
# 先关闭电磁阀
|
||||
gas_solenoid = find_associated_solenoid_valve(G, gas_source_id)
|
||||
if gas_solenoid:
|
||||
print(f"🚪 关闭气源电磁阀 {gas_solenoid}")
|
||||
action_sequence.append({
|
||||
"device_id": gas_solenoid,
|
||||
"action_name": "set_valve_position",
|
||||
"action_kwargs": {
|
||||
"command": "CLOSED"
|
||||
}
|
||||
})
|
||||
|
||||
# 再关闭气源
|
||||
action_sequence.append({
|
||||
"device_id": gas_source_id,
|
||||
"action_name": "set_status",
|
||||
"action_kwargs": {
|
||||
"string": "OFF"
|
||||
}
|
||||
})
|
||||
print("✅ 氢气源停止动作已添加")
|
||||
|
||||
# 10. 停止搅拌
|
||||
print("📍 步骤10: 停止搅拌...")
|
||||
if stirrer_id:
|
||||
action_sequence.append({
|
||||
"device_id": stirrer_id,
|
||||
"action_name": "stop_stir",
|
||||
"action_kwargs": {
|
||||
"vessel": vessel_id, # 🔧 使用 vessel_id
|
||||
"purpose": "氢化反应完成，停止搅拌"
|
||||
}
|
||||
})
|
||||
print("✅ 停止搅拌动作已添加")
|
||||
|
||||
# 🔧 新增：氢化完成后的状态（氢化反应通常不改变体积）
|
||||
final_liquid_volume = original_liquid_volume # 氢化反应体积基本不变
|
||||
|
||||
# 总结
|
||||
print("🎊" * 20)
|
||||
print(f"🎉 氢化反应协议生成完成! ✨")
|
||||
print(f"📊 总动作数: {len(action_sequence)} 个")
|
||||
print(f"🥽 反应容器: {vessel_id}")
|
||||
print(f"🌡️ 反应温度: {temperature}°C")
|
||||
print(f"⏰ 反应时间: {reaction_time/60:.1f}分钟")
|
||||
print(f"⏱️ 预计总时间: {(reaction_time + 450)/3600:.1f} 小时")
|
||||
print(f"📊 体积状态:")
|
||||
print(f" - 反应前体积: {original_liquid_volume:.2f}mL")
|
||||
print(f" - 反应后体积: {final_liquid_volume:.2f}mL (氢化反应体积基本不变)")
|
||||
print("🎊" * 20)
|
||||
|
||||
return action_sequence
|
||||
|
||||
|
||||
# 测试函数
|
||||
def test_hydrogenate_protocol():
|
||||
"""测试氢化反应协议"""
|
||||
print("🧪 === HYDROGENATE PROTOCOL 测试 === ✨")
|
||||
|
||||
# 测试温度解析
|
||||
test_temps = ["45 °C", "45°C", "45", "25 C", "invalid"]
|
||||
for temp in test_temps:
|
||||
parsed = parse_temperature(temp)
|
||||
print(f"温度 '{temp}' -> {parsed}°C")
|
||||
|
||||
# 测试时间解析
|
||||
test_times = ["2 h", "120 min", "7200 s", "2", "invalid"]
|
||||
for time in test_times:
|
||||
parsed = parse_time(time)
|
||||
print(f"时间 '{time}' -> {parsed/3600:.1f} 小时")
|
||||
|
||||
print("✅ 测试完成 🎉")
|
||||
|
||||
|
||||
if __name__ == "__main__":
|
||||
test_hydrogenate_protocol()
|
||||
File diff suppressed because it is too large
Load Diff
598
unilabos/compile/recrystallize_protocol.py
Normal file
598
unilabos/compile/recrystallize_protocol.py
Normal file
@@ -0,0 +1,598 @@
|
||||
import networkx as nx
|
||||
import re
|
||||
import logging
|
||||
from typing import List, Dict, Any, Tuple, Union
|
||||
from .pump_protocol import generate_pump_protocol_with_rinsing
|
||||
|
||||
logger = logging.getLogger(__name__)
|
||||
|
||||
def debug_print(message):
|
||||
"""调试输出"""
|
||||
print(f"💎 [RECRYSTALLIZE] {message}", flush=True)
|
||||
logger.info(f"[RECRYSTALLIZE] {message}")
|
||||
|
||||
|
||||
def parse_volume_with_units(volume_input: Union[str, float, int], default_unit: str = "mL") -> float:
|
||||
"""
|
||||
解析带单位的体积输入
|
||||
|
||||
Args:
|
||||
volume_input: 体积输入（如 "100 mL", "2.5 L", "500", "?", 100.0）
|
||||
default_unit: 默认单位（默认为毫升）
|
||||
|
||||
Returns:
|
||||
float: 体积（毫升）
|
||||
"""
|
||||
if not volume_input:
|
||||
debug_print("⚠️ 体积输入为空，返回 0.0mL 📦")
|
||||
return 0.0
|
||||
|
||||
# 处理数值输入
|
||||
if isinstance(volume_input, (int, float)):
|
||||
result = float(volume_input)
|
||||
debug_print(f"🔢 数值体积输入: {volume_input} → {result}mL（默认单位）💧")
|
||||
return result
|
||||
|
||||
# 处理字符串输入
|
||||
volume_str = str(volume_input).lower().strip()
|
||||
debug_print(f"🔍 解析体积字符串: '{volume_str}' 📝")
|
||||
|
||||
# 处理特殊值
|
||||
if volume_str in ['?', 'unknown', 'tbd', 'to be determined']:
|
||||
default_volume = 50.0 # 50mL默认值
|
||||
debug_print(f"❓ 检测到未知体积，使用默认值: {default_volume}mL 🎯")
|
||||
return default_volume
|
||||
|
||||
# 如果是纯数字，使用默认单位
|
||||
try:
|
||||
value = float(volume_str)
|
||||
if default_unit.lower() in ["ml", "milliliter"]:
|
||||
result = value
|
||||
elif default_unit.lower() in ["l", "liter"]:
|
||||
result = value * 1000.0
|
||||
elif default_unit.lower() in ["μl", "ul", "microliter"]:
|
||||
result = value / 1000.0
|
||||
else:
|
||||
result = value # 默认mL
|
||||
debug_print(f"🔢 纯数字输入: {volume_str} → {result}mL（单位: {default_unit}）📏")
|
||||
return result
|
||||
except ValueError:
|
||||
pass
|
||||
|
||||
# 移除空格并提取数字和单位
|
||||
volume_clean = re.sub(r'\s+', '', volume_str)
|
||||
|
||||
# 匹配数字和单位的正则表达式
|
||||
match = re.match(r'([0-9]*\.?[0-9]+)\s*(ml|l|μl|ul|microliter|milliliter|liter)?', volume_clean)
|
||||
|
||||
if not match:
|
||||
debug_print(f"⚠️ 无法解析体积: '{volume_str}'，使用默认值: 50mL 🎯")
|
||||
return 50.0
|
||||
|
||||
value = float(match.group(1))
|
||||
unit = match.group(2) or default_unit.lower()
|
||||
|
||||
# 转换为毫升
|
||||
if unit in ['l', 'liter']:
|
||||
volume = value * 1000.0 # L -> mL
|
||||
debug_print(f"📏 升转毫升: {value}L → {volume}mL 💧")
|
||||
elif unit in ['μl', 'ul', 'microliter']:
|
||||
volume = value / 1000.0 # μL -> mL
|
||||
debug_print(f"📏 微升转毫升: {value}μL → {volume}mL 💧")
|
||||
else: # ml, milliliter 或默认
|
||||
volume = value # 已经是mL
|
||||
debug_print(f"📏 毫升单位: {value}mL → {volume}mL 💧")
|
||||
|
||||
debug_print(f"✅ 体积解析完成: '{volume_str}' → {volume}mL ✨")
|
||||
return volume
|
||||
|
||||
|
||||
def parse_ratio(ratio_str: str) -> Tuple[float, float]:
|
||||
"""
|
||||
解析比例字符串，支持多种格式
|
||||
|
||||
Args:
|
||||
ratio_str: 比例字符串（如 "1:1", "3:7", "50:50"）
|
||||
|
||||
Returns:
|
||||
Tuple[float, float]: 比例元组 (ratio1, ratio2)
|
||||
"""
|
||||
debug_print(f"⚖️ 开始解析比例: '{ratio_str}' 📊")
|
||||
|
||||
try:
|
||||
# 处理 "1:1", "3:7", "50:50" 等格式
|
||||
if ":" in ratio_str:
|
||||
parts = ratio_str.split(":")
|
||||
if len(parts) == 2:
|
||||
ratio1 = float(parts[0])
|
||||
ratio2 = float(parts[1])
|
||||
debug_print(f"✅ 冒号格式解析成功: {ratio1}:{ratio2} 🎯")
|
||||
return ratio1, ratio2
|
||||
|
||||
# 处理 "1-1", "3-7" 等格式
|
||||
if "-" in ratio_str:
|
||||
parts = ratio_str.split("-")
|
||||
if len(parts) == 2:
|
||||
ratio1 = float(parts[0])
|
||||
ratio2 = float(parts[1])
|
||||
debug_print(f"✅ 横线格式解析成功: {ratio1}:{ratio2} 🎯")
|
||||
return ratio1, ratio2
|
||||
|
||||
# 处理 "1,1", "3,7" 等格式
|
||||
if "," in ratio_str:
|
||||
parts = ratio_str.split(",")
|
||||
if len(parts) == 2:
|
||||
ratio1 = float(parts[0])
|
||||
ratio2 = float(parts[1])
|
||||
debug_print(f"✅ 逗号格式解析成功: {ratio1}:{ratio2} 🎯")
|
||||
return ratio1, ratio2
|
||||
|
||||
# 默认 1:1
|
||||
debug_print(f"⚠️ 无法解析比例 '{ratio_str}'，使用默认比例 1:1 🎭")
|
||||
return 1.0, 1.0
|
||||
|
||||
except ValueError:
|
||||
debug_print(f"❌ 比例解析错误 '{ratio_str}'，使用默认比例 1:1 🎭")
|
||||
return 1.0, 1.0
|
||||
|
||||
|
||||
def find_solvent_vessel(G: nx.DiGraph, solvent: str) -> str:
|
||||
"""
|
||||
查找溶剂容器
|
||||
|
||||
Args:
|
||||
G: 网络图
|
||||
solvent: 溶剂名称
|
||||
|
||||
Returns:
|
||||
str: 溶剂容器ID
|
||||
"""
|
||||
debug_print(f"🔍 正在查找溶剂 '{solvent}' 的容器... 🧪")
|
||||
|
||||
# 构建可能的容器名称
|
||||
possible_names = [
|
||||
f"flask_{solvent}",
|
||||
f"bottle_{solvent}",
|
||||
f"reagent_{solvent}",
|
||||
f"reagent_bottle_{solvent}",
|
||||
f"{solvent}_flask",
|
||||
f"{solvent}_bottle",
|
||||
f"{solvent}",
|
||||
f"vessel_{solvent}",
|
||||
]
|
||||
|
||||
debug_print(f"📋 候选容器名称: {possible_names[:3]}... (共{len(possible_names)}个) 📝")
|
||||
|
||||
# 第一步：通过容器名称匹配
|
||||
debug_print(" 🎯 步骤1: 精确名称匹配...")
|
||||
for vessel_name in possible_names:
|
||||
if vessel_name in G.nodes():
|
||||
debug_print(f" 🎉 通过名称匹配找到容器: {vessel_name} ✨")
|
||||
return vessel_name
|
||||
|
||||
# 第二步：通过模糊匹配（节点ID和名称）
|
||||
debug_print(" 🔍 步骤2: 模糊名称匹配...")
|
||||
for node_id in G.nodes():
|
||||
if G.nodes[node_id].get('type') == 'container':
|
||||
node_name = G.nodes[node_id].get('name', '').lower()
|
||||
|
||||
if solvent.lower() in node_id.lower() or solvent.lower() in node_name:
|
||||
debug_print(f" 🎉 通过模糊匹配找到容器: {node_id} (名称: {node_name}) ✨")
|
||||
return node_id
|
||||
|
||||
# 第三步：通过配置中的试剂信息匹配
|
||||
debug_print(" 🧪 步骤3: 配置试剂信息匹配...")
|
||||
for node_id in G.nodes():
|
||||
if G.nodes[node_id].get('type') == 'container':
|
||||
# 检查 config 中的 reagent 字段
|
||||
node_config = G.nodes[node_id].get('config', {})
|
||||
config_reagent = node_config.get('reagent', '').lower()
|
||||
|
||||
if config_reagent and solvent.lower() == config_reagent:
|
||||
debug_print(f" 🎉 通过config.reagent匹配找到容器: {node_id} (试剂: {config_reagent}) ✨")
|
||||
return node_id
|
||||
|
||||
# 第四步：通过数据中的试剂信息匹配
|
||||
debug_print(" 🧪 步骤4: 数据试剂信息匹配...")
|
||||
for node_id in G.nodes():
|
||||
if G.nodes[node_id].get('type') == 'container':
|
||||
vessel_data = G.nodes[node_id].get('data', {})
|
||||
|
||||
# 检查 data 中的 reagent_name 字段
|
||||
reagent_name = vessel_data.get('reagent_name', '').lower()
|
||||
if reagent_name and solvent.lower() == reagent_name:
|
||||
debug_print(f" 🎉 通过data.reagent_name匹配找到容器: {node_id} (试剂: {reagent_name}) ✨")
|
||||
return node_id
|
||||
|
||||
# 检查 data 中的液体信息
|
||||
liquids = vessel_data.get('liquid', [])
|
||||
for liquid in liquids:
|
||||
if isinstance(liquid, dict):
|
||||
liquid_type = (liquid.get('liquid_type') or liquid.get('name', '')).lower()
|
||||
|
||||
if solvent.lower() in liquid_type:
|
||||
debug_print(f" 🎉 通过液体类型匹配找到容器: {node_id} (液体类型: {liquid_type}) ✨")
|
||||
return node_id
|
||||
|
||||
# 第五步：部分匹配（如果前面都没找到）
|
||||
debug_print(" 🔍 步骤5: 部分匹配...")
|
||||
for node_id in G.nodes():
|
||||
if G.nodes[node_id].get('type') == 'container':
|
||||
node_config = G.nodes[node_id].get('config', {})
|
||||
node_data = G.nodes[node_id].get('data', {})
|
||||
node_name = G.nodes[node_id].get('name', '').lower()
|
||||
|
||||
config_reagent = node_config.get('reagent', '').lower()
|
||||
data_reagent = node_data.get('reagent_name', '').lower()
|
||||
|
||||
# 检查是否包含溶剂名称
|
||||
if (solvent.lower() in config_reagent or
|
||||
solvent.lower() in data_reagent or
|
||||
solvent.lower() in node_name or
|
||||
solvent.lower() in node_id.lower()):
|
||||
debug_print(f" 🎉 通过部分匹配找到容器: {node_id} ✨")
|
||||
debug_print(f" - 节点名称: {node_name}")
|
||||
debug_print(f" - 配置试剂: {config_reagent}")
|
||||
debug_print(f" - 数据试剂: {data_reagent}")
|
||||
return node_id
|
||||
|
||||
# 调试信息：列出所有容器
|
||||
debug_print(" 🔎 调试信息：列出所有容器...")
|
||||
container_list = []
|
||||
for node_id in G.nodes():
|
||||
if G.nodes[node_id].get('type') == 'container':
|
||||
node_config = G.nodes[node_id].get('config', {})
|
||||
node_data = G.nodes[node_id].get('data', {})
|
||||
node_name = G.nodes[node_id].get('name', '')
|
||||
|
||||
container_info = {
|
||||
'id': node_id,
|
||||
'name': node_name,
|
||||
'config_reagent': node_config.get('reagent', ''),
|
||||
'data_reagent': node_data.get('reagent_name', '')
|
||||
}
|
||||
container_list.append(container_info)
|
||||
debug_print(f" - 容器: {node_id}, 名称: {node_name}, config试剂: {node_config.get('reagent', '')}, data试剂: {node_data.get('reagent_name', '')}")
|
||||
|
||||
debug_print(f"❌ 找不到溶剂 '{solvent}' 对应的容器 😭")
|
||||
debug_print(f"🔍 查找的溶剂: '{solvent}' (小写: '{solvent.lower()}')")
|
||||
debug_print(f"📊 总共发现 {len(container_list)} 个容器")
|
||||
|
||||
raise ValueError(f"找不到溶剂 '{solvent}' 对应的容器")
|
||||
|
||||
|
||||
def generate_recrystallize_protocol(
|
||||
G: nx.DiGraph,
|
||||
vessel: dict, # 🔧 修改：从字符串改为字典类型
|
||||
ratio: str,
|
||||
solvent1: str,
|
||||
solvent2: str,
|
||||
volume: Union[str, float], # 支持字符串和数值
|
||||
**kwargs
|
||||
) -> List[Dict[str, Any]]:
|
||||
"""
|
||||
生成重结晶协议序列 - 支持vessel字典和体积运算
|
||||
|
||||
Args:
|
||||
G: 有向图，节点为容器和设备
|
||||
vessel: 目标容器字典（从XDL传入）
|
||||
ratio: 溶剂比例（如 "1:1", "3:7"）
|
||||
solvent1: 第一种溶剂名称
|
||||
solvent2: 第二种溶剂名称
|
||||
volume: 总体积（支持 "100 mL", "50", "2.5 L" 等）
|
||||
**kwargs: 其他可选参数
|
||||
|
||||
Returns:
|
||||
List[Dict[str, Any]]: 动作序列
|
||||
"""
|
||||
|
||||
# 🔧 核心修改：从字典中提取容器ID
|
||||
# 统一处理vessel参数
|
||||
if isinstance(vessel, dict):
|
||||
if "id" not in vessel:
|
||||
vessel_id = list(vessel.values())[0].get("id", "")
|
||||
else:
|
||||
vessel_id = vessel.get("id", "")
|
||||
vessel_data = vessel.get("data", {})
|
||||
else:
|
||||
vessel_id = str(vessel)
|
||||
vessel_data = G.nodes[vessel_id].get("data", {}) if vessel_id in G.nodes() else {}
|
||||
|
||||
action_sequence = []
|
||||
|
||||
debug_print("💎" * 20)
|
||||
debug_print("🚀 开始生成重结晶协议（支持vessel字典和体积运算）✨")
|
||||
debug_print(f"📝 输入参数:")
|
||||
debug_print(f" 🥽 vessel: {vessel} (ID: {vessel_id})")
|
||||
debug_print(f" ⚖️ 比例: {ratio}")
|
||||
debug_print(f" 🧪 溶剂1: {solvent1}")
|
||||
debug_print(f" 🧪 溶剂2: {solvent2}")
|
||||
debug_print(f" 💧 总体积: {volume} (类型: {type(volume)})")
|
||||
debug_print("💎" * 20)
|
||||
|
||||
# 🔧 新增：记录重结晶前的容器状态
|
||||
debug_print("🔍 记录重结晶前容器状态...")
|
||||
original_liquid_volume = 0.0
|
||||
if "data" in vessel and "liquid_volume" in vessel["data"]:
|
||||
current_volume = vessel["data"]["liquid_volume"]
|
||||
if isinstance(current_volume, list) and len(current_volume) > 0:
|
||||
original_liquid_volume = current_volume[0]
|
||||
elif isinstance(current_volume, (int, float)):
|
||||
original_liquid_volume = current_volume
|
||||
debug_print(f"📊 重结晶前液体体积: {original_liquid_volume:.2f}mL")
|
||||
|
||||
# 1. 验证目标容器存在
|
||||
debug_print("📍 步骤1: 验证目标容器... 🔧")
|
||||
if vessel_id not in G.nodes(): # 🔧 使用 vessel_id
|
||||
debug_print(f"❌ 目标容器 '{vessel_id}' 不存在于系统中! 😱")
|
||||
raise ValueError(f"目标容器 '{vessel_id}' 不存在于系统中")
|
||||
debug_print(f"✅ 目标容器 '{vessel_id}' 验证通过 🎯")
|
||||
|
||||
# 2. 解析体积（支持单位）
|
||||
debug_print("📍 步骤2: 解析体积（支持单位）... 💧")
|
||||
final_volume = parse_volume_with_units(volume, "mL")
|
||||
debug_print(f"🎯 体积解析完成: {volume} → {final_volume}mL ✨")
|
||||
|
||||
# 3. 解析比例
|
||||
debug_print("📍 步骤3: 解析比例... ⚖️")
|
||||
ratio1, ratio2 = parse_ratio(ratio)
|
||||
total_ratio = ratio1 + ratio2
|
||||
debug_print(f"🎯 比例解析完成: {ratio1}:{ratio2} (总比例: {total_ratio}) ✨")
|
||||
|
||||
# 4. 计算各溶剂体积
|
||||
debug_print("📍 步骤4: 计算各溶剂体积... 🧮")
|
||||
volume1 = final_volume * (ratio1 / total_ratio)
|
||||
volume2 = final_volume * (ratio2 / total_ratio)
|
||||
|
||||
debug_print(f"🧪 {solvent1} 体积: {volume1:.2f} mL ({ratio1}/{total_ratio} × {final_volume})")
|
||||
debug_print(f"🧪 {solvent2} 体积: {volume2:.2f} mL ({ratio2}/{total_ratio} × {final_volume})")
|
||||
debug_print(f"✅ 体积计算完成: 总计 {volume1 + volume2:.2f} mL 🎯")
|
||||
|
||||
# 5. 查找溶剂容器
|
||||
debug_print("📍 步骤5: 查找溶剂容器... 🔍")
|
||||
try:
|
||||
debug_print(f" 🔍 查找溶剂1容器...")
|
||||
solvent1_vessel = find_solvent_vessel(G, solvent1)
|
||||
debug_print(f" 🎉 找到溶剂1容器: {solvent1_vessel} ✨")
|
||||
except ValueError as e:
|
||||
debug_print(f" ❌ 溶剂1容器查找失败: {str(e)} 😭")
|
||||
raise ValueError(f"无法找到溶剂1 '{solvent1}': {str(e)}")
|
||||
|
||||
try:
|
||||
debug_print(f" 🔍 查找溶剂2容器...")
|
||||
solvent2_vessel = find_solvent_vessel(G, solvent2)
|
||||
debug_print(f" 🎉 找到溶剂2容器: {solvent2_vessel} ✨")
|
||||
except ValueError as e:
|
||||
debug_print(f" ❌ 溶剂2容器查找失败: {str(e)} 😭")
|
||||
raise ValueError(f"无法找到溶剂2 '{solvent2}': {str(e)}")
|
||||
|
||||
# 6. 验证路径存在
|
||||
debug_print("📍 步骤6: 验证传输路径... 🛤️")
|
||||
try:
|
||||
path1 = nx.shortest_path(G, source=solvent1_vessel, target=vessel_id) # 🔧 使用 vessel_id
|
||||
debug_print(f" 🛤️ 溶剂1路径: {' → '.join(path1)} ✅")
|
||||
except nx.NetworkXNoPath:
|
||||
debug_print(f" ❌ 溶剂1路径不可达: {solvent1_vessel} → {vessel_id} 😞")
|
||||
raise ValueError(f"从溶剂1容器 '{solvent1_vessel}' 到目标容器 '{vessel_id}' 没有可用路径")
|
||||
|
||||
try:
|
||||
path2 = nx.shortest_path(G, source=solvent2_vessel, target=vessel_id) # 🔧 使用 vessel_id
|
||||
debug_print(f" 🛤️ 溶剂2路径: {' → '.join(path2)} ✅")
|
||||
except nx.NetworkXNoPath:
|
||||
debug_print(f" ❌ 溶剂2路径不可达: {solvent2_vessel} → {vessel_id} 😞")
|
||||
raise ValueError(f"从溶剂2容器 '{solvent2_vessel}' 到目标容器 '{vessel_id}' 没有可用路径")
|
||||
|
||||
# 7. 添加第一种溶剂
|
||||
debug_print("📍 步骤7: 添加第一种溶剂... 🧪")
|
||||
debug_print(f" 🚰 开始添加溶剂1: {solvent1} ({volume1:.2f} mL)")
|
||||
|
||||
try:
|
||||
pump_actions1 = generate_pump_protocol_with_rinsing(
|
||||
G=G,
|
||||
from_vessel=solvent1_vessel,
|
||||
to_vessel=vessel_id, # 🔧 使用 vessel_id
|
||||
volume=volume1, # 使用解析后的体积
|
||||
amount="",
|
||||
time=0.0,
|
||||
viscous=False,
|
||||
rinsing_solvent="", # 重结晶不需要清洗
|
||||
rinsing_volume=0.0,
|
||||
rinsing_repeats=0,
|
||||
solid=False,
|
||||
flowrate=2.0, # 正常流速
|
||||
transfer_flowrate=0.5
|
||||
)
|
||||
|
||||
action_sequence.extend(pump_actions1)
|
||||
debug_print(f" ✅ 溶剂1泵送动作已添加: {len(pump_actions1)} 个动作 🚰✨")
|
||||
|
||||
except Exception as e:
|
||||
debug_print(f" ❌ 溶剂1泵协议生成失败: {str(e)} 😭")
|
||||
raise ValueError(f"生成溶剂1泵协议时出错: {str(e)}")
|
||||
|
||||
# 🔧 新增：更新容器体积 - 添加溶剂1后
|
||||
debug_print(" 🔧 更新容器体积 - 添加溶剂1后...")
|
||||
new_volume_after_solvent1 = original_liquid_volume + volume1
|
||||
|
||||
# 更新vessel字典中的体积
|
||||
if "data" in vessel and "liquid_volume" in vessel["data"]:
|
||||
current_volume = vessel["data"]["liquid_volume"]
|
||||
if isinstance(current_volume, list):
|
||||
if len(current_volume) > 0:
|
||||
vessel["data"]["liquid_volume"][0] = new_volume_after_solvent1
|
||||
else:
|
||||
vessel["data"]["liquid_volume"] = [new_volume_after_solvent1]
|
||||
else:
|
||||
vessel["data"]["liquid_volume"] = new_volume_after_solvent1
|
||||
|
||||
# 同时更新图中的容器数据
|
||||
if vessel_id in G.nodes():
|
||||
if 'data' not in G.nodes[vessel_id]:
|
||||
G.nodes[vessel_id]['data'] = {}
|
||||
|
||||
vessel_node_data = G.nodes[vessel_id]['data']
|
||||
current_node_volume = vessel_node_data.get('liquid_volume', 0.0)
|
||||
|
||||
if isinstance(current_node_volume, list):
|
||||
if len(current_node_volume) > 0:
|
||||
G.nodes[vessel_id]['data']['liquid_volume'][0] = new_volume_after_solvent1
|
||||
else:
|
||||
G.nodes[vessel_id]['data']['liquid_volume'] = [new_volume_after_solvent1]
|
||||
else:
|
||||
G.nodes[vessel_id]['data']['liquid_volume'] = new_volume_after_solvent1
|
||||
|
||||
debug_print(f" 📊 体积更新: {original_liquid_volume:.2f}mL + {volume1:.2f}mL = {new_volume_after_solvent1:.2f}mL")
|
||||
|
||||
# 8. 等待溶剂1稳定
|
||||
debug_print(" ⏳ 添加溶剂1稳定等待...")
|
||||
action_sequence.append({
|
||||
"action_name": "wait",
|
||||
"action_kwargs": {
|
||||
"time": 5.0, # 缩短等待时间
|
||||
"description": f"等待溶剂1 {solvent1} 稳定"
|
||||
}
|
||||
})
|
||||
debug_print(" ✅ 溶剂1稳定等待已添加 ⏰✨")
|
||||
|
||||
# 9. 添加第二种溶剂
|
||||
debug_print("📍 步骤8: 添加第二种溶剂... 🧪")
|
||||
debug_print(f" 🚰 开始添加溶剂2: {solvent2} ({volume2:.2f} mL)")
|
||||
|
||||
try:
|
||||
pump_actions2 = generate_pump_protocol_with_rinsing(
|
||||
G=G,
|
||||
from_vessel=solvent2_vessel,
|
||||
to_vessel=vessel_id, # 🔧 使用 vessel_id
|
||||
volume=volume2, # 使用解析后的体积
|
||||
amount="",
|
||||
time=0.0,
|
||||
viscous=False,
|
||||
rinsing_solvent="", # 重结晶不需要清洗
|
||||
rinsing_volume=0.0,
|
||||
rinsing_repeats=0,
|
||||
solid=False,
|
||||
flowrate=2.0, # 正常流速
|
||||
transfer_flowrate=0.5
|
||||
)
|
||||
|
||||
action_sequence.extend(pump_actions2)
|
||||
debug_print(f" ✅ 溶剂2泵送动作已添加: {len(pump_actions2)} 个动作 🚰✨")
|
||||
|
||||
except Exception as e:
|
||||
debug_print(f" ❌ 溶剂2泵协议生成失败: {str(e)} 😭")
|
||||
raise ValueError(f"生成溶剂2泵协议时出错: {str(e)}")
|
||||
|
||||
# 🔧 新增：更新容器体积 - 添加溶剂2后
|
||||
debug_print(" 🔧 更新容器体积 - 添加溶剂2后...")
|
||||
final_liquid_volume = new_volume_after_solvent1 + volume2
|
||||
|
||||
# 更新vessel字典中的体积
|
||||
if "data" in vessel and "liquid_volume" in vessel["data"]:
|
||||
current_volume = vessel["data"]["liquid_volume"]
|
||||
if isinstance(current_volume, list):
|
||||
if len(current_volume) > 0:
|
||||
vessel["data"]["liquid_volume"][0] = final_liquid_volume
|
||||
else:
|
||||
vessel["data"]["liquid_volume"] = [final_liquid_volume]
|
||||
else:
|
||||
vessel["data"]["liquid_volume"] = final_liquid_volume
|
||||
|
||||
# 同时更新图中的容器数据
|
||||
if vessel_id in G.nodes():
|
||||
if 'data' not in G.nodes[vessel_id]:
|
||||
G.nodes[vessel_id]['data'] = {}
|
||||
|
||||
vessel_node_data = G.nodes[vessel_id]['data']
|
||||
current_node_volume = vessel_node_data.get('liquid_volume', 0.0)
|
||||
|
||||
if isinstance(current_node_volume, list):
|
||||
if len(current_node_volume) > 0:
|
||||
G.nodes[vessel_id]['data']['liquid_volume'][0] = final_liquid_volume
|
||||
else:
|
||||
G.nodes[vessel_id]['data']['liquid_volume'] = [final_liquid_volume]
|
||||
else:
|
||||
G.nodes[vessel_id]['data']['liquid_volume'] = final_liquid_volume
|
||||
|
||||
debug_print(f" 📊 最终体积: {new_volume_after_solvent1:.2f}mL + {volume2:.2f}mL = {final_liquid_volume:.2f}mL")
|
||||
|
||||
# 10. 等待溶剂2稳定
|
||||
debug_print(" ⏳ 添加溶剂2稳定等待...")
|
||||
action_sequence.append({
|
||||
"action_name": "wait",
|
||||
"action_kwargs": {
|
||||
"time": 5.0, # 缩短等待时间
|
||||
"description": f"等待溶剂2 {solvent2} 稳定"
|
||||
}
|
||||
})
|
||||
debug_print(" ✅ 溶剂2稳定等待已添加 ⏰✨")
|
||||
|
||||
# 11. 等待重结晶完成
|
||||
debug_print("📍 步骤9: 等待重结晶完成... 💎")
|
||||
|
||||
# 模拟运行时间优化
|
||||
debug_print(" ⏱️ 检查模拟运行时间限制...")
|
||||
original_crystallize_time = 600.0 # 原始重结晶时间
|
||||
simulation_time_limit = 60.0 # 模拟运行时间限制：60秒
|
||||
|
||||
final_crystallize_time = min(original_crystallize_time, simulation_time_limit)
|
||||
|
||||
if original_crystallize_time > simulation_time_limit:
|
||||
debug_print(f" 🎮 模拟运行优化: {original_crystallize_time}s → {final_crystallize_time}s ⚡")
|
||||
debug_print(f" 📊 时间缩短: {original_crystallize_time/60:.1f}分钟 → {final_crystallize_time/60:.1f}分钟 🚀")
|
||||
else:
|
||||
debug_print(f" ✅ 时间在限制内: {final_crystallize_time}s 保持不变 🎯")
|
||||
|
||||
action_sequence.append({
|
||||
"action_name": "wait",
|
||||
"action_kwargs": {
|
||||
"time": final_crystallize_time,
|
||||
"description": f"等待重结晶完成（{solvent1}:{solvent2} = {ratio}，总体积 {final_volume}mL）" + (f" (模拟时间)" if original_crystallize_time != final_crystallize_time else "")
|
||||
}
|
||||
})
|
||||
debug_print(f" ✅ 重结晶等待已添加: {final_crystallize_time}s 💎✨")
|
||||
|
||||
# 显示时间调整信息
|
||||
if original_crystallize_time != final_crystallize_time:
|
||||
debug_print(f" 🎭 模拟优化说明: 原计划 {original_crystallize_time/60:.1f}分钟，实际模拟 {final_crystallize_time/60:.1f}分钟 ⚡")
|
||||
|
||||
# 总结
|
||||
debug_print("💎" * 20)
|
||||
debug_print(f"🎉 重结晶协议生成完成! ✨")
|
||||
debug_print(f"📊 总动作数: {len(action_sequence)} 个")
|
||||
debug_print(f"🥽 目标容器: {vessel_id}")
|
||||
debug_print(f"💧 总体积变化:")
|
||||
debug_print(f" - 原始体积: {original_liquid_volume:.2f}mL")
|
||||
debug_print(f" - 添加溶剂: {final_volume:.2f}mL")
|
||||
debug_print(f" - 最终体积: {final_liquid_volume:.2f}mL")
|
||||
debug_print(f"⚖️ 溶剂比例: {solvent1}:{solvent2} = {ratio1}:{ratio2}")
|
||||
debug_print(f"🧪 溶剂1: {solvent1} ({volume1:.2f}mL)")
|
||||
debug_print(f"🧪 溶剂2: {solvent2} ({volume2:.2f}mL)")
|
||||
debug_print(f"⏱️ 预计总时间: {(final_crystallize_time + 10)/60:.1f} 分钟 ⌛")
|
||||
debug_print("💎" * 20)
|
||||
|
||||
return action_sequence
|
||||
|
||||
|
||||
# 测试函数
|
||||
def test_recrystallize_protocol():
|
||||
"""测试重结晶协议"""
|
||||
debug_print("🧪 === RECRYSTALLIZE PROTOCOL 测试 === ✨")
|
||||
|
||||
# 测试体积解析
|
||||
debug_print("💧 测试体积解析...")
|
||||
test_volumes = ["100 mL", "2.5 L", "500", "50.5", "?", "invalid"]
|
||||
for vol in test_volumes:
|
||||
parsed = parse_volume_with_units(vol)
|
||||
debug_print(f" 📊 体积 '{vol}' -> {parsed}mL")
|
||||
|
||||
# 测试比例解析
|
||||
debug_print("⚖️ 测试比例解析...")
|
||||
test_ratios = ["1:1", "3:7", "50:50", "1-1", "2,8", "invalid"]
|
||||
for ratio in test_ratios:
|
||||
r1, r2 = parse_ratio(ratio)
|
||||
debug_print(f" 📊 比例 '{ratio}' -> {r1}:{r2}")
|
||||
|
||||
debug_print("✅ 测试完成 🎉")
|
||||
|
||||
if __name__ == "__main__":
|
||||
test_recrystallize_protocol()
|
||||
387
unilabos/compile/reset_handling_protocol.py
Normal file
387
unilabos/compile/reset_handling_protocol.py
Normal file
@@ -0,0 +1,387 @@
|
||||
import networkx as nx
|
||||
import logging
|
||||
import sys
|
||||
from typing import List, Dict, Any, Optional
|
||||
from .pump_protocol import generate_pump_protocol_with_rinsing
|
||||
|
||||
# 设置日志
|
||||
logger = logging.getLogger(__name__)
|
||||
|
||||
# 确保输出编码为UTF-8
|
||||
if hasattr(sys.stdout, 'reconfigure'):
|
||||
try:
|
||||
sys.stdout.reconfigure(encoding='utf-8')
|
||||
sys.stderr.reconfigure(encoding='utf-8')
|
||||
except:
|
||||
pass
|
||||
|
||||
def debug_print(message):
|
||||
"""调试输出函数 - 支持中文"""
|
||||
try:
|
||||
# 确保消息是字符串格式
|
||||
safe_message = str(message)
|
||||
print(f"[重置处理] {safe_message}", flush=True)
|
||||
logger.info(f"[重置处理] {safe_message}")
|
||||
except UnicodeEncodeError:
|
||||
# 如果编码失败，尝试替换不支持的字符
|
||||
safe_message = str(message).encode('utf-8', errors='replace').decode('utf-8')
|
||||
print(f"[重置处理] {safe_message}", flush=True)
|
||||
logger.info(f"[重置处理] {safe_message}")
|
||||
except Exception as e:
|
||||
# 最后的安全措施
|
||||
fallback_message = f"日志输出错误: {repr(message)}"
|
||||
print(f"[重置处理] {fallback_message}", flush=True)
|
||||
logger.info(f"[重置处理] {fallback_message}")
|
||||
|
||||
def create_action_log(message: str, emoji: str = "📝") -> Dict[str, Any]:
|
||||
"""创建一个动作日志 - 支持中文和emoji"""
|
||||
try:
|
||||
full_message = f"{emoji} {message}"
|
||||
debug_print(full_message)
|
||||
logger.info(full_message)
|
||||
|
||||
return {
|
||||
"action_name": "wait",
|
||||
"action_kwargs": {
|
||||
"time": 0.1,
|
||||
"log_message": full_message,
|
||||
"progress_message": full_message
|
||||
}
|
||||
}
|
||||
except Exception as e:
|
||||
# 如果emoji有问题，使用纯文本
|
||||
safe_message = f"[日志] {message}"
|
||||
debug_print(safe_message)
|
||||
logger.info(safe_message)
|
||||
|
||||
return {
|
||||
"action_name": "wait",
|
||||
"action_kwargs": {
|
||||
"time": 0.1,
|
||||
"log_message": safe_message,
|
||||
"progress_message": safe_message
|
||||
}
|
||||
}
|
||||
|
||||
def find_solvent_vessel(G: nx.DiGraph, solvent: str) -> str:
|
||||
"""
|
||||
查找溶剂容器，支持多种匹配模式
|
||||
|
||||
Args:
|
||||
G: 网络图
|
||||
solvent: 溶剂名称（如 "methanol", "ethanol", "water"）
|
||||
|
||||
Returns:
|
||||
str: 溶剂容器ID
|
||||
"""
|
||||
debug_print(f"🔍 正在查找溶剂 '{solvent}' 的容器...")
|
||||
|
||||
# 构建可能的容器名称
|
||||
possible_names = [
|
||||
f"flask_{solvent}", # flask_methanol
|
||||
f"bottle_{solvent}", # bottle_methanol
|
||||
f"reagent_{solvent}", # reagent_methanol
|
||||
f"reagent_bottle_{solvent}", # reagent_bottle_methanol
|
||||
f"{solvent}_flask", # methanol_flask
|
||||
f"{solvent}_bottle", # methanol_bottle
|
||||
f"{solvent}", # methanol
|
||||
f"vessel_{solvent}", # vessel_methanol
|
||||
]
|
||||
|
||||
debug_print(f"🎯 候选容器名称: {possible_names[:3]}... (共{len(possible_names)}个)")
|
||||
|
||||
# 第一步：通过容器名称匹配
|
||||
debug_print("📋 方法1: 精确名称匹配...")
|
||||
for vessel_name in possible_names:
|
||||
if vessel_name in G.nodes():
|
||||
debug_print(f"✅ 通过名称匹配找到容器: {vessel_name}")
|
||||
return vessel_name
|
||||
debug_print("⚠️ 精确名称匹配失败，尝试模糊匹配...")
|
||||
|
||||
# 第二步：通过模糊匹配
|
||||
debug_print("📋 方法2: 模糊名称匹配...")
|
||||
for node_id in G.nodes():
|
||||
if G.nodes[node_id].get('type') == 'container':
|
||||
node_name = G.nodes[node_id].get('name', '').lower()
|
||||
|
||||
# 检查是否包含溶剂名称
|
||||
if solvent.lower() in node_id.lower() or solvent.lower() in node_name:
|
||||
debug_print(f"✅ 通过模糊匹配找到容器: {node_id}")
|
||||
return node_id
|
||||
debug_print("⚠️ 模糊匹配失败，尝试液体类型匹配...")
|
||||
|
||||
# 第三步：通过液体类型匹配
|
||||
debug_print("📋 方法3: 液体类型匹配...")
|
||||
for node_id in G.nodes():
|
||||
if G.nodes[node_id].get('type') == 'container':
|
||||
vessel_data = G.nodes[node_id].get('data', {})
|
||||
liquids = vessel_data.get('liquid', [])
|
||||
|
||||
for liquid in liquids:
|
||||
if isinstance(liquid, dict):
|
||||
liquid_type = (liquid.get('liquid_type') or liquid.get('name', '')).lower()
|
||||
reagent_name = vessel_data.get('reagent_name', '').lower()
|
||||
|
||||
if solvent.lower() in liquid_type or solvent.lower() in reagent_name:
|
||||
debug_print(f"✅ 通过液体类型匹配找到容器: {node_id}")
|
||||
return node_id
|
||||
|
||||
# 列出可用容器帮助调试
|
||||
debug_print("📊 显示可用容器信息...")
|
||||
available_containers = []
|
||||
for node_id in G.nodes():
|
||||
if G.nodes[node_id].get('type') == 'container':
|
||||
vessel_data = G.nodes[node_id].get('data', {})
|
||||
liquids = vessel_data.get('liquid', [])
|
||||
liquid_types = [liquid.get('liquid_type', '') or liquid.get('name', '')
|
||||
for liquid in liquids if isinstance(liquid, dict)]
|
||||
|
||||
available_containers.append({
|
||||
'id': node_id,
|
||||
'name': G.nodes[node_id].get('name', ''),
|
||||
'liquids': liquid_types,
|
||||
'reagent_name': vessel_data.get('reagent_name', '')
|
||||
})
|
||||
|
||||
debug_print(f"📋 可用容器列表 (共{len(available_containers)}个):")
|
||||
for i, container in enumerate(available_containers[:5]): # 只显示前5个
|
||||
debug_print(f" {i+1}. 🥽 {container['id']}: {container['name']}")
|
||||
debug_print(f" 💧 液体: {container['liquids']}")
|
||||
debug_print(f" 🧪 试剂: {container['reagent_name']}")
|
||||
|
||||
if len(available_containers) > 5:
|
||||
debug_print(f" ... 还有 {len(available_containers)-5} 个容器")
|
||||
|
||||
debug_print(f"❌ 找不到溶剂 '{solvent}' 对应的容器")
|
||||
raise ValueError(f"找不到溶剂 '{solvent}' 对应的容器。尝试了: {possible_names[:3]}...")
|
||||
|
||||
def generate_reset_handling_protocol(
|
||||
G: nx.DiGraph,
|
||||
solvent: str,
|
||||
vessel: Optional[str] = None, # 🆕 新增可选vessel参数
|
||||
**kwargs # 接收其他可能的参数但不使用
|
||||
) -> List[Dict[str, Any]]:
|
||||
"""
|
||||
生成重置处理协议序列 - 支持自定义容器
|
||||
|
||||
Args:
|
||||
G: 有向图，节点为容器和设备
|
||||
solvent: 溶剂名称（从XDL传入）
|
||||
vessel: 目标容器名称（可选，默认为 "main_reactor"）
|
||||
**kwargs: 其他可选参数，但不使用
|
||||
|
||||
Returns:
|
||||
List[Dict[str, Any]]: 动作序列
|
||||
"""
|
||||
action_sequence = []
|
||||
|
||||
# 🔧 修改：支持自定义vessel参数
|
||||
target_vessel = vessel if vessel is not None else "main_reactor" # 默认目标容器
|
||||
volume = 50.0 # 默认体积 50 mL
|
||||
|
||||
debug_print("=" * 60)
|
||||
debug_print("🚀 开始生成重置处理协议")
|
||||
debug_print(f"📋 输入参数:")
|
||||
debug_print(f" 🧪 溶剂: {solvent}")
|
||||
debug_print(f" 🥽 目标容器: {target_vessel} {'(默认)' if vessel is None else '(指定)'}")
|
||||
debug_print(f" 💧 体积: {volume} mL")
|
||||
debug_print(f" ⚙️ 其他参数: {kwargs}")
|
||||
debug_print("=" * 60)
|
||||
|
||||
# 添加初始日志
|
||||
action_sequence.append(create_action_log(f"开始重置处理操作 - 容器: {target_vessel}", "🎬"))
|
||||
action_sequence.append(create_action_log(f"使用溶剂: {solvent}", "🧪"))
|
||||
action_sequence.append(create_action_log(f"重置体积: {volume}mL", "💧"))
|
||||
|
||||
if vessel is None:
|
||||
action_sequence.append(create_action_log("使用默认目标容器: main_reactor", "⚙️"))
|
||||
else:
|
||||
action_sequence.append(create_action_log(f"使用指定目标容器: {vessel}", "🎯"))
|
||||
|
||||
# 1. 验证目标容器存在
|
||||
debug_print("🔍 步骤1: 验证目标容器...")
|
||||
action_sequence.append(create_action_log("正在验证目标容器...", "🔍"))
|
||||
|
||||
if target_vessel not in G.nodes():
|
||||
debug_print(f"❌ 目标容器 '{target_vessel}' 不存在于系统中!")
|
||||
action_sequence.append(create_action_log(f"目标容器 '{target_vessel}' 不存在", "❌"))
|
||||
raise ValueError(f"目标容器 '{target_vessel}' 不存在于系统中")
|
||||
|
||||
debug_print(f"✅ 目标容器 '{target_vessel}' 验证通过")
|
||||
action_sequence.append(create_action_log(f"目标容器验证通过: {target_vessel}", "✅"))
|
||||
|
||||
# 2. 查找溶剂容器
|
||||
debug_print("🔍 步骤2: 查找溶剂容器...")
|
||||
action_sequence.append(create_action_log("正在查找溶剂容器...", "🔍"))
|
||||
|
||||
try:
|
||||
solvent_vessel = find_solvent_vessel(G, solvent)
|
||||
debug_print(f"✅ 找到溶剂容器: {solvent_vessel}")
|
||||
action_sequence.append(create_action_log(f"找到溶剂容器: {solvent_vessel}", "✅"))
|
||||
except ValueError as e:
|
||||
debug_print(f"❌ 溶剂容器查找失败: {str(e)}")
|
||||
action_sequence.append(create_action_log(f"溶剂容器查找失败: {str(e)}", "❌"))
|
||||
raise ValueError(f"无法找到溶剂 '{solvent}': {str(e)}")
|
||||
|
||||
# 3. 验证路径存在
|
||||
debug_print("🔍 步骤3: 验证传输路径...")
|
||||
action_sequence.append(create_action_log("正在验证传输路径...", "🛤️"))
|
||||
|
||||
try:
|
||||
path = nx.shortest_path(G, source=solvent_vessel, target=target_vessel)
|
||||
debug_print(f"✅ 找到路径: {' → '.join(path)}")
|
||||
action_sequence.append(create_action_log(f"传输路径: {' → '.join(path)}", "🛤️"))
|
||||
except nx.NetworkXNoPath:
|
||||
debug_print(f"❌ 路径不可达: {solvent_vessel} → {target_vessel}")
|
||||
action_sequence.append(create_action_log(f"路径不可达: {solvent_vessel} → {target_vessel}", "❌"))
|
||||
raise ValueError(f"从溶剂容器 '{solvent_vessel}' 到目标容器 '{target_vessel}' 没有可用路径")
|
||||
|
||||
# 4. 使用pump_protocol转移溶剂
|
||||
debug_print("🔍 步骤4: 转移溶剂...")
|
||||
action_sequence.append(create_action_log("开始溶剂转移操作...", "🚰"))
|
||||
|
||||
debug_print(f"🚛 开始转移: {solvent_vessel} → {target_vessel}")
|
||||
debug_print(f"💧 转移体积: {volume} mL")
|
||||
action_sequence.append(create_action_log(f"转移: {solvent_vessel} → {target_vessel} ({volume}mL)", "🚛"))
|
||||
|
||||
try:
|
||||
debug_print("🔄 生成泵送协议...")
|
||||
action_sequence.append(create_action_log("正在生成泵送协议...", "🔄"))
|
||||
|
||||
pump_actions = generate_pump_protocol_with_rinsing(
|
||||
G=G,
|
||||
from_vessel=solvent_vessel,
|
||||
to_vessel=target_vessel,
|
||||
volume=volume,
|
||||
amount="",
|
||||
time=0.0,
|
||||
viscous=False,
|
||||
rinsing_solvent="", # 重置处理不需要清洗
|
||||
rinsing_volume=0.0,
|
||||
rinsing_repeats=0,
|
||||
solid=False,
|
||||
flowrate=2.5, # 正常流速
|
||||
transfer_flowrate=0.5 # 正常转移流速
|
||||
)
|
||||
|
||||
action_sequence.extend(pump_actions)
|
||||
debug_print(f"✅ 泵送协议已添加: {len(pump_actions)} 个动作")
|
||||
action_sequence.append(create_action_log(f"泵送协议完成 ({len(pump_actions)} 个操作)", "✅"))
|
||||
|
||||
except Exception as e:
|
||||
debug_print(f"❌ 泵送协议生成失败: {str(e)}")
|
||||
action_sequence.append(create_action_log(f"泵送协议生成失败: {str(e)}", "❌"))
|
||||
raise ValueError(f"生成泵协议时出错: {str(e)}")
|
||||
|
||||
# 5. 等待溶剂稳定
|
||||
debug_print("🔍 步骤5: 等待溶剂稳定...")
|
||||
action_sequence.append(create_action_log("等待溶剂稳定...", "⏳"))
|
||||
|
||||
# 模拟运行时间优化
|
||||
debug_print("⏱️ 检查模拟运行时间限制...")
|
||||
original_wait_time = 10.0 # 原始等待时间
|
||||
simulation_time_limit = 5.0 # 模拟运行时间限制：5秒
|
||||
|
||||
final_wait_time = min(original_wait_time, simulation_time_limit)
|
||||
|
||||
if original_wait_time > simulation_time_limit:
|
||||
debug_print(f"🎮 模拟运行优化: {original_wait_time}s → {final_wait_time}s")
|
||||
action_sequence.append(create_action_log(f"时间优化: {original_wait_time}s → {final_wait_time}s", "⚡"))
|
||||
else:
|
||||
debug_print(f"✅ 时间在限制内: {final_wait_time}s 保持不变")
|
||||
action_sequence.append(create_action_log(f"等待时间: {final_wait_time}s", "⏰"))
|
||||
|
||||
action_sequence.append({
|
||||
"action_name": "wait",
|
||||
"action_kwargs": {
|
||||
"time": final_wait_time,
|
||||
"description": f"等待溶剂 {solvent} 在容器 {target_vessel} 中稳定" + (f" (模拟时间)" if original_wait_time != final_wait_time else "")
|
||||
}
|
||||
})
|
||||
debug_print(f"✅ 稳定等待已添加: {final_wait_time}s")
|
||||
|
||||
# 显示时间调整信息
|
||||
if original_wait_time != final_wait_time:
|
||||
debug_print(f"🎭 模拟优化说明: 原计划 {original_wait_time}s，实际模拟 {final_wait_time}s")
|
||||
action_sequence.append(create_action_log("应用模拟时间优化", "🎭"))
|
||||
|
||||
# 总结
|
||||
debug_print("=" * 60)
|
||||
debug_print(f"🎉 重置处理协议生成完成!")
|
||||
debug_print(f"📊 总结信息:")
|
||||
debug_print(f" 📋 总动作数: {len(action_sequence)} 个")
|
||||
debug_print(f" 🧪 溶剂: {solvent}")
|
||||
debug_print(f" 🥽 源容器: {solvent_vessel}")
|
||||
debug_print(f" 🥽 目标容器: {target_vessel} {'(默认)' if vessel is None else '(指定)'}")
|
||||
debug_print(f" 💧 转移体积: {volume} mL")
|
||||
debug_print(f" ⏱️ 预计总时间: {(final_wait_time + 5):.0f} 秒")
|
||||
debug_print(f" 🎯 操作结果: 已添加 {volume} mL {solvent} 到 {target_vessel}")
|
||||
debug_print("=" * 60)
|
||||
|
||||
# 添加完成日志
|
||||
summary_msg = f"重置处理完成: {target_vessel} (使用 {volume}mL {solvent})"
|
||||
if vessel is None:
|
||||
summary_msg += " [默认容器]"
|
||||
else:
|
||||
summary_msg += " [指定容器]"
|
||||
|
||||
action_sequence.append(create_action_log(summary_msg, "🎉"))
|
||||
|
||||
return action_sequence
|
||||
|
||||
# === 便捷函数 ===
|
||||
|
||||
def reset_main_reactor(G: nx.DiGraph, solvent: str = "methanol", **kwargs) -> List[Dict[str, Any]]:
|
||||
"""重置主反应器 (默认行为)"""
|
||||
debug_print(f"🔄 重置主反应器，使用溶剂: {solvent}")
|
||||
return generate_reset_handling_protocol(G, solvent=solvent, vessel=None, **kwargs)
|
||||
|
||||
def reset_custom_vessel(G: nx.DiGraph, vessel: str, solvent: str = "methanol", **kwargs) -> List[Dict[str, Any]]:
|
||||
"""重置指定容器"""
|
||||
debug_print(f"🔄 重置指定容器: {vessel}，使用溶剂: {solvent}")
|
||||
return generate_reset_handling_protocol(G, solvent=solvent, vessel=vessel, **kwargs)
|
||||
|
||||
def reset_with_water(G: nx.DiGraph, vessel: Optional[str] = None, **kwargs) -> List[Dict[str, Any]]:
|
||||
"""使用水重置容器"""
|
||||
target = vessel or "main_reactor"
|
||||
debug_print(f"💧 使用水重置容器: {target}")
|
||||
return generate_reset_handling_protocol(G, solvent="water", vessel=vessel, **kwargs)
|
||||
|
||||
def reset_with_methanol(G: nx.DiGraph, vessel: Optional[str] = None, **kwargs) -> List[Dict[str, Any]]:
|
||||
"""使用甲醇重置容器"""
|
||||
target = vessel or "main_reactor"
|
||||
debug_print(f"🧪 使用甲醇重置容器: {target}")
|
||||
return generate_reset_handling_protocol(G, solvent="methanol", vessel=vessel, **kwargs)
|
||||
|
||||
def reset_with_ethanol(G: nx.DiGraph, vessel: Optional[str] = None, **kwargs) -> List[Dict[str, Any]]:
|
||||
"""使用乙醇重置容器"""
|
||||
target = vessel or "main_reactor"
|
||||
debug_print(f"🧪 使用乙醇重置容器: {target}")
|
||||
return generate_reset_handling_protocol(G, solvent="ethanol", vessel=vessel, **kwargs)
|
||||
|
||||
# 测试函数
|
||||
def test_reset_handling_protocol():
|
||||
"""测试重置处理协议"""
|
||||
debug_print("=== 重置处理协议增强中文版测试 ===")
|
||||
|
||||
# 测试溶剂名称
|
||||
debug_print("🧪 测试常用溶剂名称...")
|
||||
test_solvents = ["methanol", "ethanol", "water", "acetone", "dmso"]
|
||||
for solvent in test_solvents:
|
||||
debug_print(f" 🔍 测试溶剂: {solvent}")
|
||||
|
||||
# 测试容器参数
|
||||
debug_print("🥽 测试容器参数...")
|
||||
test_cases = [
|
||||
{"solvent": "methanol", "vessel": None, "desc": "默认容器"},
|
||||
{"solvent": "ethanol", "vessel": "reactor_2", "desc": "指定容器"},
|
||||
{"solvent": "water", "vessel": "flask_1", "desc": "自定义容器"}
|
||||
]
|
||||
|
||||
for case in test_cases:
|
||||
debug_print(f" 🧪 测试案例: {case['desc']} - {case['solvent']} -> {case['vessel'] or 'main_reactor'}")
|
||||
|
||||
debug_print("✅ 测试完成")
|
||||
|
||||
if __name__ == "__main__":
|
||||
test_reset_handling_protocol()
|
||||
808
unilabos/compile/run_column_protocol.py
Normal file
808
unilabos/compile/run_column_protocol.py
Normal file
@@ -0,0 +1,808 @@
|
||||
from typing import List, Dict, Any, Union
|
||||
import networkx as nx
|
||||
import logging
|
||||
import re
|
||||
from .pump_protocol import generate_pump_protocol_with_rinsing
|
||||
|
||||
logger = logging.getLogger(__name__)
|
||||
|
||||
def debug_print(message):
|
||||
"""调试输出"""
|
||||
print(f"🏛️ [RUN_COLUMN] {message}", flush=True)
|
||||
logger.info(f"[RUN_COLUMN] {message}")
|
||||
|
||||
def parse_percentage(pct_str: str) -> float:
|
||||
"""
|
||||
解析百分比字符串为数值
|
||||
|
||||
Args:
|
||||
pct_str: 百分比字符串（如 "40 %", "40%", "40"）
|
||||
|
||||
Returns:
|
||||
float: 百分比数值（0-100）
|
||||
"""
|
||||
if not pct_str or not pct_str.strip():
|
||||
return 0.0
|
||||
|
||||
pct_str = pct_str.strip().lower()
|
||||
debug_print(f"🔍 解析百分比: '{pct_str}'")
|
||||
|
||||
# 移除百分号和空格
|
||||
pct_clean = re.sub(r'[%\s]', '', pct_str)
|
||||
|
||||
# 提取数字
|
||||
match = re.search(r'([0-9]*\.?[0-9]+)', pct_clean)
|
||||
if match:
|
||||
value = float(match.group(1))
|
||||
debug_print(f"✅ 百分比解析结果: {value}%")
|
||||
return value
|
||||
|
||||
debug_print(f"⚠️ 无法解析百分比: '{pct_str}'，返回0.0")
|
||||
return 0.0
|
||||
|
||||
def parse_ratio(ratio_str: str) -> tuple:
|
||||
"""
|
||||
解析比例字符串为两个数值
|
||||
|
||||
Args:
|
||||
ratio_str: 比例字符串（如 "5:95", "1:1", "40:60"）
|
||||
|
||||
Returns:
|
||||
tuple: (ratio1, ratio2) 两个比例值
|
||||
"""
|
||||
if not ratio_str or not ratio_str.strip():
|
||||
return (50.0, 50.0) # 默认1:1
|
||||
|
||||
ratio_str = ratio_str.strip()
|
||||
debug_print(f"🔍 解析比例: '{ratio_str}'")
|
||||
|
||||
# 支持多种分隔符：: / -
|
||||
if ':' in ratio_str:
|
||||
parts = ratio_str.split(':')
|
||||
elif '/' in ratio_str:
|
||||
parts = ratio_str.split('/')
|
||||
elif '-' in ratio_str:
|
||||
parts = ratio_str.split('-')
|
||||
elif 'to' in ratio_str.lower():
|
||||
parts = ratio_str.lower().split('to')
|
||||
else:
|
||||
debug_print(f"⚠️ 无法解析比例格式: '{ratio_str}'，使用默认1:1")
|
||||
return (50.0, 50.0)
|
||||
|
||||
if len(parts) >= 2:
|
||||
try:
|
||||
ratio1 = float(parts[0].strip())
|
||||
ratio2 = float(parts[1].strip())
|
||||
total = ratio1 + ratio2
|
||||
|
||||
# 转换为百分比
|
||||
pct1 = (ratio1 / total) * 100
|
||||
pct2 = (ratio2 / total) * 100
|
||||
|
||||
debug_print(f"✅ 比例解析结果: {ratio1}:{ratio2} -> {pct1:.1f}%:{pct2:.1f}%")
|
||||
return (pct1, pct2)
|
||||
except ValueError as e:
|
||||
debug_print(f"⚠️ 比例数值转换失败: {str(e)}")
|
||||
|
||||
debug_print(f"⚠️ 比例解析失败，使用默认1:1")
|
||||
return (50.0, 50.0)
|
||||
|
||||
def parse_rf_value(rf_str: str) -> float:
|
||||
"""
|
||||
解析Rf值字符串
|
||||
|
||||
Args:
|
||||
rf_str: Rf值字符串（如 "0.3", "0.45", "?"）
|
||||
|
||||
Returns:
|
||||
float: Rf值（0-1）
|
||||
"""
|
||||
if not rf_str or not rf_str.strip():
|
||||
return 0.3 # 默认Rf值
|
||||
|
||||
rf_str = rf_str.strip().lower()
|
||||
debug_print(f"🔍 解析Rf值: '{rf_str}'")
|
||||
|
||||
# 处理未知Rf值
|
||||
if rf_str in ['?', 'unknown', 'tbd', 'to be determined']:
|
||||
default_rf = 0.3
|
||||
debug_print(f"❓ 检测到未知Rf值，使用默认值: {default_rf}")
|
||||
return default_rf
|
||||
|
||||
# 提取数字
|
||||
match = re.search(r'([0-9]*\.?[0-9]+)', rf_str)
|
||||
if match:
|
||||
value = float(match.group(1))
|
||||
# 确保Rf值在0-1范围内
|
||||
if value > 1.0:
|
||||
value = value / 100.0 # 可能是百分比形式
|
||||
value = max(0.0, min(1.0, value)) # 限制在0-1范围
|
||||
debug_print(f"✅ Rf值解析结果: {value}")
|
||||
return value
|
||||
|
||||
debug_print(f"⚠️ 无法解析Rf值: '{rf_str}'，使用默认值0.3")
|
||||
return 0.3
|
||||
|
||||
def find_column_device(G: nx.DiGraph) -> str:
|
||||
"""查找柱层析设备"""
|
||||
debug_print("🔍 查找柱层析设备...")
|
||||
|
||||
# 查找虚拟柱设备
|
||||
for node in G.nodes():
|
||||
node_data = G.nodes[node]
|
||||
node_class = node_data.get('class', '') or ''
|
||||
|
||||
if 'virtual_column' in node_class.lower() or 'column' in node_class.lower():
|
||||
debug_print(f"🎉 找到柱层析设备: {node} ✨")
|
||||
return node
|
||||
|
||||
# 如果没有找到，尝试创建虚拟设备名称
|
||||
possible_names = ['column_1', 'virtual_column_1', 'chromatography_column_1']
|
||||
for name in possible_names:
|
||||
if name in G.nodes():
|
||||
debug_print(f"🎉 找到柱设备: {name} ✨")
|
||||
return name
|
||||
|
||||
debug_print("⚠️ 未找到柱层析设备，将使用pump protocol直接转移")
|
||||
return ""
|
||||
|
||||
def find_column_vessel(G: nx.DiGraph, column: str) -> str:
|
||||
"""查找柱容器"""
|
||||
debug_print(f"🔍 查找柱容器: '{column}'")
|
||||
|
||||
# 直接检查column参数是否是容器
|
||||
if column in G.nodes():
|
||||
node_type = G.nodes[column].get('type', '')
|
||||
if node_type == 'container':
|
||||
debug_print(f"🎉 找到柱容器: {column} ✨")
|
||||
return column
|
||||
|
||||
# 尝试常见的命名规则
|
||||
possible_names = [
|
||||
f"column_{column}",
|
||||
f"{column}_column",
|
||||
f"vessel_{column}",
|
||||
f"{column}_vessel",
|
||||
"column_vessel",
|
||||
"chromatography_column",
|
||||
"silica_column",
|
||||
"preparative_column",
|
||||
"column"
|
||||
]
|
||||
|
||||
for vessel_name in possible_names:
|
||||
if vessel_name in G.nodes():
|
||||
node_type = G.nodes[vessel_name].get('type', '')
|
||||
if node_type == 'container':
|
||||
debug_print(f"🎉 找到柱容器: {vessel_name} ✨")
|
||||
return vessel_name
|
||||
|
||||
debug_print(f"⚠️ 未找到柱容器，将直接在源容器中进行分离")
|
||||
return ""
|
||||
|
||||
def find_solvent_vessel(G: nx.DiGraph, solvent: str) -> str:
|
||||
"""查找溶剂容器 - 增强版"""
|
||||
if not solvent or not solvent.strip():
|
||||
return ""
|
||||
|
||||
solvent = solvent.strip().replace(' ', '_').lower()
|
||||
debug_print(f"🔍 查找溶剂容器: '{solvent}'")
|
||||
|
||||
# 🔧 方法1：直接搜索 data.reagent_name
|
||||
for node in G.nodes():
|
||||
node_data = G.nodes[node].get('data', {})
|
||||
node_type = G.nodes[node].get('type', '')
|
||||
|
||||
# 只搜索容器类型的节点
|
||||
if node_type == 'container':
|
||||
reagent_name = node_data.get('reagent_name', '').lower()
|
||||
reagent_config = G.nodes[node].get('config', {}).get('reagent', '').lower()
|
||||
|
||||
# 检查 data.reagent_name 和 config.reagent
|
||||
if reagent_name == solvent or reagent_config == solvent:
|
||||
debug_print(f"🎉 通过reagent_name找到溶剂容器: {node} (reagent: {reagent_name or reagent_config}) ✨")
|
||||
return node
|
||||
|
||||
# 模糊匹配 reagent_name
|
||||
if solvent in reagent_name or reagent_name in solvent:
|
||||
debug_print(f"🎉 通过reagent_name模糊匹配到溶剂容器: {node} (reagent: {reagent_name}) ✨")
|
||||
return node
|
||||
|
||||
if solvent in reagent_config or reagent_config in solvent:
|
||||
debug_print(f"🎉 通过config.reagent模糊匹配到溶剂容器: {node} (reagent: {reagent_config}) ✨")
|
||||
return node
|
||||
|
||||
# 🔧 方法2：常见的溶剂容器命名规则
|
||||
possible_names = [
|
||||
f"flask_{solvent}",
|
||||
f"bottle_{solvent}",
|
||||
f"reagent_{solvent}",
|
||||
f"{solvent}_bottle",
|
||||
f"{solvent}_flask",
|
||||
f"solvent_{solvent}",
|
||||
f"reagent_bottle_{solvent}"
|
||||
]
|
||||
|
||||
for vessel_name in possible_names:
|
||||
if vessel_name in G.nodes():
|
||||
node_type = G.nodes[vessel_name].get('type', '')
|
||||
if node_type == 'container':
|
||||
debug_print(f"🎉 通过命名规则找到溶剂容器: {vessel_name} ✨")
|
||||
return vessel_name
|
||||
|
||||
# 🔧 方法3：节点名称模糊匹配
|
||||
for node in G.nodes():
|
||||
node_type = G.nodes[node].get('type', '')
|
||||
if node_type == 'container':
|
||||
if ('flask_' in node or 'bottle_' in node or 'reagent_' in node) and solvent in node.lower():
|
||||
debug_print(f"🎉 通过节点名称模糊匹配到溶剂容器: {node} ✨")
|
||||
return node
|
||||
|
||||
# 🔧 方法4：特殊溶剂名称映射
|
||||
solvent_mapping = {
|
||||
'dmf': ['dmf', 'dimethylformamide', 'n,n-dimethylformamide'],
|
||||
'ethyl_acetate': ['ethyl_acetate', 'ethylacetate', 'etoac', 'ea'],
|
||||
'hexane': ['hexane', 'hexanes', 'n-hexane'],
|
||||
'methanol': ['methanol', 'meoh', 'ch3oh'],
|
||||
'water': ['water', 'h2o', 'distilled_water'],
|
||||
'acetone': ['acetone', 'ch3coch3', '2-propanone'],
|
||||
'dichloromethane': ['dichloromethane', 'dcm', 'ch2cl2', 'methylene_chloride'],
|
||||
'chloroform': ['chloroform', 'chcl3', 'trichloromethane']
|
||||
}
|
||||
|
||||
# 查找映射的同义词
|
||||
for canonical_name, synonyms in solvent_mapping.items():
|
||||
if solvent in synonyms:
|
||||
debug_print(f"🔍 检测到溶剂同义词: '{solvent}' -> '{canonical_name}'")
|
||||
return find_solvent_vessel(G, canonical_name) # 递归搜索
|
||||
|
||||
debug_print(f"⚠️ 未找到溶剂 '{solvent}' 的容器")
|
||||
return ""
|
||||
|
||||
def get_vessel_liquid_volume(vessel: dict) -> float:
|
||||
"""
|
||||
获取容器中的液体体积 - 支持vessel字典
|
||||
|
||||
Args:
|
||||
vessel: 容器字典
|
||||
|
||||
Returns:
|
||||
float: 液体体积（mL）
|
||||
"""
|
||||
if not vessel or "data" not in vessel:
|
||||
debug_print(f"⚠️ 容器数据为空，返回 0.0mL")
|
||||
return 0.0
|
||||
|
||||
vessel_data = vessel["data"]
|
||||
vessel_id = vessel.get("id", "unknown")
|
||||
|
||||
debug_print(f"🔍 读取容器 '{vessel_id}' 体积数据: {vessel_data}")
|
||||
|
||||
# 检查liquid_volume字段
|
||||
if "liquid_volume" in vessel_data:
|
||||
liquid_volume = vessel_data["liquid_volume"]
|
||||
|
||||
# 处理列表格式
|
||||
if isinstance(liquid_volume, list):
|
||||
if len(liquid_volume) > 0:
|
||||
volume = liquid_volume[0]
|
||||
if isinstance(volume, (int, float)):
|
||||
debug_print(f"✅ 容器 '{vessel_id}' 体积: {volume}mL (列表格式)")
|
||||
return float(volume)
|
||||
|
||||
# 处理直接数值格式
|
||||
elif isinstance(liquid_volume, (int, float)):
|
||||
debug_print(f"✅ 容器 '{vessel_id}' 体积: {liquid_volume}mL (数值格式)")
|
||||
return float(liquid_volume)
|
||||
|
||||
# 检查其他可能的体积字段
|
||||
volume_keys = ['current_volume', 'total_volume', 'volume']
|
||||
for key in volume_keys:
|
||||
if key in vessel_data:
|
||||
try:
|
||||
volume = float(vessel_data[key])
|
||||
if volume > 0:
|
||||
debug_print(f"✅ 容器 '{vessel_id}' 体积: {volume}mL (字段: {key})")
|
||||
return volume
|
||||
except (ValueError, TypeError):
|
||||
continue
|
||||
|
||||
debug_print(f"⚠️ 无法获取容器 '{vessel_id}' 的体积，返回默认值 50.0mL")
|
||||
return 50.0
|
||||
|
||||
def update_vessel_volume(vessel: dict, G: nx.DiGraph, new_volume: float, description: str = "") -> None:
|
||||
"""
|
||||
更新容器体积（同时更新vessel字典和图节点）
|
||||
|
||||
Args:
|
||||
vessel: 容器字典
|
||||
G: 网络图
|
||||
new_volume: 新体积
|
||||
description: 更新描述
|
||||
"""
|
||||
vessel_id = vessel.get("id", "unknown")
|
||||
|
||||
if description:
|
||||
debug_print(f"🔧 更新容器体积 - {description}")
|
||||
|
||||
# 更新vessel字典中的体积
|
||||
if "data" in vessel:
|
||||
if "liquid_volume" in vessel["data"]:
|
||||
current_volume = vessel["data"]["liquid_volume"]
|
||||
if isinstance(current_volume, list):
|
||||
if len(current_volume) > 0:
|
||||
vessel["data"]["liquid_volume"][0] = new_volume
|
||||
else:
|
||||
vessel["data"]["liquid_volume"] = [new_volume]
|
||||
else:
|
||||
vessel["data"]["liquid_volume"] = new_volume
|
||||
else:
|
||||
vessel["data"]["liquid_volume"] = new_volume
|
||||
else:
|
||||
vessel["data"] = {"liquid_volume": new_volume}
|
||||
|
||||
# 同时更新图中的容器数据
|
||||
if vessel_id in G.nodes():
|
||||
if 'data' not in G.nodes[vessel_id]:
|
||||
G.nodes[vessel_id]['data'] = {}
|
||||
|
||||
vessel_node_data = G.nodes[vessel_id]['data']
|
||||
current_node_volume = vessel_node_data.get('liquid_volume', 0.0)
|
||||
|
||||
if isinstance(current_node_volume, list):
|
||||
if len(current_node_volume) > 0:
|
||||
G.nodes[vessel_id]['data']['liquid_volume'][0] = new_volume
|
||||
else:
|
||||
G.nodes[vessel_id]['data']['liquid_volume'] = [new_volume]
|
||||
else:
|
||||
G.nodes[vessel_id]['data']['liquid_volume'] = new_volume
|
||||
|
||||
debug_print(f"📊 容器 '{vessel_id}' 体积已更新为: {new_volume:.2f}mL")
|
||||
|
||||
def calculate_solvent_volumes(total_volume: float, pct1: float, pct2: float) -> tuple:
|
||||
"""根据百分比计算溶剂体积"""
|
||||
volume1 = (total_volume * pct1) / 100.0
|
||||
volume2 = (total_volume * pct2) / 100.0
|
||||
|
||||
debug_print(f"🧮 溶剂体积计算: 总体积{total_volume}mL")
|
||||
debug_print(f" - 溶剂1: {pct1}% = {volume1}mL")
|
||||
debug_print(f" - 溶剂2: {pct2}% = {volume2}mL")
|
||||
|
||||
return (volume1, volume2)
|
||||
|
||||
def generate_run_column_protocol(
|
||||
G: nx.DiGraph,
|
||||
from_vessel: dict, # 🔧 修改：从字符串改为字典类型
|
||||
to_vessel: dict, # 🔧 修改：从字符串改为字典类型
|
||||
column: str,
|
||||
rf: str = "",
|
||||
pct1: str = "",
|
||||
pct2: str = "",
|
||||
solvent1: str = "",
|
||||
solvent2: str = "",
|
||||
ratio: str = "",
|
||||
**kwargs
|
||||
) -> List[Dict[str, Any]]:
|
||||
"""
|
||||
生成柱层析分离的协议序列 - 支持vessel字典和体积运算
|
||||
|
||||
Args:
|
||||
G: 有向图，节点为设备和容器，边为流体管道
|
||||
from_vessel: 源容器字典（从XDL传入）
|
||||
to_vessel: 目标容器字典（从XDL传入）
|
||||
column: 所使用的柱子的名称（必需）
|
||||
rf: Rf值（可选，支持 "?" 表示未知）
|
||||
pct1: 第一种溶剂百分比（如 "40 %"，可选）
|
||||
pct2: 第二种溶剂百分比（如 "50 %"，可选）
|
||||
solvent1: 第一种溶剂名称（可选）
|
||||
solvent2: 第二种溶剂名称（可选）
|
||||
ratio: 溶剂比例（如 "5:95"，可选，优先级高于pct1/pct2）
|
||||
**kwargs: 其他可选参数
|
||||
|
||||
Returns:
|
||||
List[Dict[str, Any]]: 柱层析分离操作的动作序列
|
||||
"""
|
||||
|
||||
# 🔧 核心修改：从字典中提取容器ID
|
||||
from_vessel_id = from_vessel["id"]
|
||||
to_vessel_id = to_vessel["id"]
|
||||
|
||||
debug_print("🏛️" * 20)
|
||||
debug_print("🚀 开始生成柱层析协议（支持vessel字典和体积运算）✨")
|
||||
debug_print(f"📝 输入参数:")
|
||||
debug_print(f" 🥽 from_vessel: {from_vessel} (ID: {from_vessel_id})")
|
||||
debug_print(f" 🥽 to_vessel: {to_vessel} (ID: {to_vessel_id})")
|
||||
debug_print(f" 🏛️ column: '{column}'")
|
||||
debug_print(f" 📊 rf: '{rf}'")
|
||||
debug_print(f" 🧪 溶剂配比: pct1='{pct1}', pct2='{pct2}', ratio='{ratio}'")
|
||||
debug_print(f" 🧪 溶剂名称: solvent1='{solvent1}', solvent2='{solvent2}'")
|
||||
debug_print("🏛️" * 20)
|
||||
|
||||
action_sequence = []
|
||||
|
||||
# 🔧 新增：记录柱层析前的容器状态
|
||||
debug_print("🔍 记录柱层析前容器状态...")
|
||||
original_from_volume = get_vessel_liquid_volume(from_vessel)
|
||||
original_to_volume = get_vessel_liquid_volume(to_vessel)
|
||||
|
||||
debug_print(f"📊 柱层析前状态:")
|
||||
debug_print(f" - 源容器 {from_vessel_id}: {original_from_volume:.2f}mL")
|
||||
debug_print(f" - 目标容器 {to_vessel_id}: {original_to_volume:.2f}mL")
|
||||
|
||||
# === 参数验证 ===
|
||||
debug_print("📍 步骤1: 参数验证...")
|
||||
|
||||
if not from_vessel_id: # 🔧 使用 from_vessel_id
|
||||
raise ValueError("from_vessel 参数不能为空")
|
||||
if not to_vessel_id: # 🔧 使用 to_vessel_id
|
||||
raise ValueError("to_vessel 参数不能为空")
|
||||
if not column:
|
||||
raise ValueError("column 参数不能为空")
|
||||
|
||||
if from_vessel_id not in G.nodes(): # 🔧 使用 from_vessel_id
|
||||
raise ValueError(f"源容器 '{from_vessel_id}' 不存在于系统中")
|
||||
if to_vessel_id not in G.nodes(): # 🔧 使用 to_vessel_id
|
||||
raise ValueError(f"目标容器 '{to_vessel_id}' 不存在于系统中")
|
||||
|
||||
debug_print("✅ 基本参数验证通过")
|
||||
|
||||
# === 参数解析 ===
|
||||
debug_print("📍 步骤2: 参数解析...")
|
||||
|
||||
# 解析Rf值
|
||||
final_rf = parse_rf_value(rf)
|
||||
debug_print(f"🎯 最终Rf值: {final_rf}")
|
||||
|
||||
# 解析溶剂比例（ratio优先级高于pct1/pct2）
|
||||
if ratio and ratio.strip():
|
||||
final_pct1, final_pct2 = parse_ratio(ratio)
|
||||
debug_print(f"📊 使用ratio参数: {final_pct1:.1f}% : {final_pct2:.1f}%")
|
||||
else:
|
||||
final_pct1 = parse_percentage(pct1) if pct1 else 50.0
|
||||
final_pct2 = parse_percentage(pct2) if pct2 else 50.0
|
||||
|
||||
# 如果百分比和不是100%，进行归一化
|
||||
total_pct = final_pct1 + final_pct2
|
||||
if total_pct == 0:
|
||||
final_pct1, final_pct2 = 50.0, 50.0
|
||||
elif total_pct != 100.0:
|
||||
final_pct1 = (final_pct1 / total_pct) * 100
|
||||
final_pct2 = (final_pct2 / total_pct) * 100
|
||||
|
||||
debug_print(f"📊 使用百分比参数: {final_pct1:.1f}% : {final_pct2:.1f}%")
|
||||
|
||||
# 设置默认溶剂（如果未指定）
|
||||
final_solvent1 = solvent1.strip() if solvent1 else "ethyl_acetate"
|
||||
final_solvent2 = solvent2.strip() if solvent2 else "hexane"
|
||||
|
||||
debug_print(f"🧪 最终溶剂: {final_solvent1} : {final_solvent2}")
|
||||
|
||||
# === 查找设备和容器 ===
|
||||
debug_print("📍 步骤3: 查找设备和容器...")
|
||||
|
||||
# 查找柱层析设备
|
||||
column_device_id = find_column_device(G)
|
||||
|
||||
# 查找柱容器
|
||||
column_vessel = find_column_vessel(G, column)
|
||||
|
||||
# 查找溶剂容器
|
||||
solvent1_vessel = find_solvent_vessel(G, final_solvent1)
|
||||
solvent2_vessel = find_solvent_vessel(G, final_solvent2)
|
||||
|
||||
debug_print(f"🔧 设备映射:")
|
||||
debug_print(f" - 柱设备: '{column_device_id}'")
|
||||
debug_print(f" - 柱容器: '{column_vessel}'")
|
||||
debug_print(f" - 溶剂1容器: '{solvent1_vessel}'")
|
||||
debug_print(f" - 溶剂2容器: '{solvent2_vessel}'")
|
||||
|
||||
# === 获取源容器体积 ===
|
||||
debug_print("📍 步骤4: 获取源容器体积...")
|
||||
|
||||
source_volume = original_from_volume
|
||||
if source_volume <= 0:
|
||||
source_volume = 50.0 # 默认体积
|
||||
debug_print(f"⚠️ 无法获取源容器体积，使用默认值: {source_volume}mL")
|
||||
else:
|
||||
debug_print(f"✅ 源容器体积: {source_volume}mL")
|
||||
|
||||
# === 计算溶剂体积 ===
|
||||
debug_print("📍 步骤5: 计算溶剂体积...")
|
||||
|
||||
# 洗脱溶剂通常是样品体积的2-5倍
|
||||
total_elution_volume = source_volume * 3.0
|
||||
solvent1_volume, solvent2_volume = calculate_solvent_volumes(
|
||||
total_elution_volume, final_pct1, final_pct2
|
||||
)
|
||||
|
||||
# === 执行柱层析流程 ===
|
||||
debug_print("📍 步骤6: 执行柱层析流程...")
|
||||
|
||||
# 🔧 新增：体积变化跟踪变量
|
||||
current_from_volume = source_volume
|
||||
current_to_volume = original_to_volume
|
||||
current_column_volume = 0.0
|
||||
|
||||
try:
|
||||
# 步骤6.1: 样品上柱（如果有独立的柱容器）
|
||||
if column_vessel and column_vessel != from_vessel_id: # 🔧 使用 from_vessel_id
|
||||
debug_print(f"📍 6.1: 样品上柱 - {source_volume}mL 从 {from_vessel_id} 到 {column_vessel}")
|
||||
|
||||
try:
|
||||
sample_transfer_actions = generate_pump_protocol_with_rinsing(
|
||||
G=G,
|
||||
from_vessel=from_vessel_id, # 🔧 使用 from_vessel_id
|
||||
to_vessel=column_vessel,
|
||||
volume=source_volume,
|
||||
flowrate=1.0, # 慢速上柱
|
||||
transfer_flowrate=0.5,
|
||||
rinsing_solvent="", # 暂不冲洗
|
||||
rinsing_volume=0.0,
|
||||
rinsing_repeats=0
|
||||
)
|
||||
action_sequence.extend(sample_transfer_actions)
|
||||
debug_print(f"✅ 样品上柱完成，添加了 {len(sample_transfer_actions)} 个动作")
|
||||
|
||||
# 🔧 新增：更新体积 - 样品转移到柱上
|
||||
current_from_volume = 0.0 # 源容器体积变为0
|
||||
current_column_volume = source_volume # 柱容器体积增加
|
||||
|
||||
update_vessel_volume(from_vessel, G, current_from_volume, "样品上柱后，源容器清空")
|
||||
|
||||
# 如果柱容器在图中，也更新其体积
|
||||
if column_vessel in G.nodes():
|
||||
if 'data' not in G.nodes[column_vessel]:
|
||||
G.nodes[column_vessel]['data'] = {}
|
||||
G.nodes[column_vessel]['data']['liquid_volume'] = current_column_volume
|
||||
debug_print(f"📊 柱容器 '{column_vessel}' 体积更新为: {current_column_volume:.2f}mL")
|
||||
|
||||
except Exception as e:
|
||||
debug_print(f"⚠️ 样品上柱失败: {str(e)}")
|
||||
|
||||
# 步骤6.2: 添加洗脱溶剂1（如果有溶剂容器）
|
||||
if solvent1_vessel and solvent1_volume > 0:
|
||||
debug_print(f"📍 6.2: 添加洗脱溶剂1 - {solvent1_volume:.1f}mL {final_solvent1}")
|
||||
|
||||
try:
|
||||
target_vessel = column_vessel if column_vessel else from_vessel_id # 🔧 使用 from_vessel_id
|
||||
solvent1_transfer_actions = generate_pump_protocol_with_rinsing(
|
||||
G=G,
|
||||
from_vessel=solvent1_vessel,
|
||||
to_vessel=target_vessel,
|
||||
volume=solvent1_volume,
|
||||
flowrate=2.0,
|
||||
transfer_flowrate=1.0
|
||||
)
|
||||
action_sequence.extend(solvent1_transfer_actions)
|
||||
debug_print(f"✅ 溶剂1添加完成，添加了 {len(solvent1_transfer_actions)} 个动作")
|
||||
|
||||
# 🔧 新增：更新体积 - 添加溶剂1
|
||||
if target_vessel == column_vessel:
|
||||
current_column_volume += solvent1_volume
|
||||
if column_vessel in G.nodes():
|
||||
G.nodes[column_vessel]['data']['liquid_volume'] = current_column_volume
|
||||
debug_print(f"📊 柱容器体积增加: +{solvent1_volume:.2f}mL = {current_column_volume:.2f}mL")
|
||||
elif target_vessel == from_vessel_id:
|
||||
current_from_volume += solvent1_volume
|
||||
update_vessel_volume(from_vessel, G, current_from_volume, "添加溶剂1后")
|
||||
|
||||
except Exception as e:
|
||||
debug_print(f"⚠️ 溶剂1添加失败: {str(e)}")
|
||||
|
||||
# 步骤6.3: 添加洗脱溶剂2（如果有溶剂容器）
|
||||
if solvent2_vessel and solvent2_volume > 0:
|
||||
debug_print(f"📍 6.3: 添加洗脱溶剂2 - {solvent2_volume:.1f}mL {final_solvent2}")
|
||||
|
||||
try:
|
||||
target_vessel = column_vessel if column_vessel else from_vessel_id # 🔧 使用 from_vessel_id
|
||||
solvent2_transfer_actions = generate_pump_protocol_with_rinsing(
|
||||
G=G,
|
||||
from_vessel=solvent2_vessel,
|
||||
to_vessel=target_vessel,
|
||||
volume=solvent2_volume,
|
||||
flowrate=2.0,
|
||||
transfer_flowrate=1.0
|
||||
)
|
||||
action_sequence.extend(solvent2_transfer_actions)
|
||||
debug_print(f"✅ 溶剂2添加完成，添加了 {len(solvent2_transfer_actions)} 个动作")
|
||||
|
||||
# 🔧 新增：更新体积 - 添加溶剂2
|
||||
if target_vessel == column_vessel:
|
||||
current_column_volume += solvent2_volume
|
||||
if column_vessel in G.nodes():
|
||||
G.nodes[column_vessel]['data']['liquid_volume'] = current_column_volume
|
||||
debug_print(f"📊 柱容器体积增加: +{solvent2_volume:.2f}mL = {current_column_volume:.2f}mL")
|
||||
elif target_vessel == from_vessel_id:
|
||||
current_from_volume += solvent2_volume
|
||||
update_vessel_volume(from_vessel, G, current_from_volume, "添加溶剂2后")
|
||||
|
||||
except Exception as e:
|
||||
debug_print(f"⚠️ 溶剂2添加失败: {str(e)}")
|
||||
|
||||
# 步骤6.4: 使用柱层析设备执行分离（如果有设备）
|
||||
if column_device_id:
|
||||
debug_print(f"📍 6.4: 使用柱层析设备执行分离")
|
||||
|
||||
column_separation_action = {
|
||||
"device_id": column_device_id,
|
||||
"action_name": "run_column",
|
||||
"action_kwargs": {
|
||||
"from_vessel": from_vessel_id, # 🔧 使用 from_vessel_id
|
||||
"to_vessel": to_vessel_id, # 🔧 使用 to_vessel_id
|
||||
"column": column,
|
||||
"rf": rf,
|
||||
"pct1": pct1,
|
||||
"pct2": pct2,
|
||||
"solvent1": solvent1,
|
||||
"solvent2": solvent2,
|
||||
"ratio": ratio
|
||||
}
|
||||
}
|
||||
action_sequence.append(column_separation_action)
|
||||
debug_print(f"✅ 柱层析设备动作已添加")
|
||||
|
||||
# 等待分离完成
|
||||
separation_time = max(30, min(120, int(total_elution_volume / 2))) # 30-120秒，基于体积
|
||||
action_sequence.append({
|
||||
"action_name": "wait",
|
||||
"action_kwargs": {"time": separation_time}
|
||||
})
|
||||
debug_print(f"✅ 等待分离完成: {separation_time}秒")
|
||||
|
||||
# 步骤6.5: 产物收集（从柱容器到目标容器）
|
||||
if column_vessel and column_vessel != to_vessel_id: # 🔧 使用 to_vessel_id
|
||||
debug_print(f"📍 6.5: 产物收集 - 从 {column_vessel} 到 {to_vessel_id}")
|
||||
|
||||
try:
|
||||
# 估算产物体积（原始样品体积的70-90%，收率考虑）
|
||||
product_volume = source_volume * 0.8
|
||||
|
||||
product_transfer_actions = generate_pump_protocol_with_rinsing(
|
||||
G=G,
|
||||
from_vessel=column_vessel,
|
||||
to_vessel=to_vessel_id, # 🔧 使用 to_vessel_id
|
||||
volume=product_volume,
|
||||
flowrate=1.5,
|
||||
transfer_flowrate=0.8
|
||||
)
|
||||
action_sequence.extend(product_transfer_actions)
|
||||
debug_print(f"✅ 产物收集完成，添加了 {len(product_transfer_actions)} 个动作")
|
||||
|
||||
# 🔧 新增：更新体积 - 产物收集到目标容器
|
||||
current_to_volume += product_volume
|
||||
current_column_volume -= product_volume # 柱容器体积减少
|
||||
|
||||
update_vessel_volume(to_vessel, G, current_to_volume, "产物收集后")
|
||||
|
||||
# 更新柱容器体积
|
||||
if column_vessel in G.nodes():
|
||||
G.nodes[column_vessel]['data']['liquid_volume'] = max(0.0, current_column_volume)
|
||||
debug_print(f"📊 柱容器体积减少: -{product_volume:.2f}mL = {current_column_volume:.2f}mL")
|
||||
|
||||
except Exception as e:
|
||||
debug_print(f"⚠️ 产物收集失败: {str(e)}")
|
||||
|
||||
# 步骤6.6: 如果没有独立的柱设备和容器，执行简化的直接转移
|
||||
if not column_device_id and not column_vessel:
|
||||
debug_print(f"📍 6.6: 简化模式 - 直接转移 {source_volume}mL 从 {from_vessel_id} 到 {to_vessel_id}")
|
||||
|
||||
try:
|
||||
direct_transfer_actions = generate_pump_protocol_with_rinsing(
|
||||
G=G,
|
||||
from_vessel=from_vessel_id, # 🔧 使用 from_vessel_id
|
||||
to_vessel=to_vessel_id, # 🔧 使用 to_vessel_id
|
||||
volume=source_volume,
|
||||
flowrate=2.0,
|
||||
transfer_flowrate=1.0
|
||||
)
|
||||
action_sequence.extend(direct_transfer_actions)
|
||||
debug_print(f"✅ 直接转移完成，添加了 {len(direct_transfer_actions)} 个动作")
|
||||
|
||||
# 🔧 新增：更新体积 - 直接转移
|
||||
current_from_volume = 0.0 # 源容器清空
|
||||
current_to_volume += source_volume # 目标容器增加
|
||||
|
||||
update_vessel_volume(from_vessel, G, current_from_volume, "直接转移后，源容器清空")
|
||||
update_vessel_volume(to_vessel, G, current_to_volume, "直接转移后，目标容器增加")
|
||||
|
||||
except Exception as e:
|
||||
debug_print(f"⚠️ 直接转移失败: {str(e)}")
|
||||
|
||||
except Exception as e:
|
||||
debug_print(f"❌ 协议生成失败: {str(e)} 😭")
|
||||
|
||||
# 不添加不确定的动作，直接让action_sequence保持为空列表
|
||||
# action_sequence 已经在函数开始时初始化为 []
|
||||
|
||||
# 确保至少有一个有效的动作，如果完全失败就返回空列表
|
||||
if not action_sequence:
|
||||
debug_print("⚠️ 没有生成任何有效动作")
|
||||
# 可以选择返回空列表或添加一个基本的等待动作
|
||||
action_sequence.append({
|
||||
"action_name": "wait",
|
||||
"action_kwargs": {
|
||||
"time": 1.0,
|
||||
"description": "柱层析协议执行完成"
|
||||
}
|
||||
})
|
||||
|
||||
# 🔧 新增：柱层析完成后的最终状态报告
|
||||
final_from_volume = get_vessel_liquid_volume(from_vessel)
|
||||
final_to_volume = get_vessel_liquid_volume(to_vessel)
|
||||
|
||||
# 🎊 总结
|
||||
debug_print("🏛️" * 20)
|
||||
debug_print(f"🎉 柱层析协议生成完成! ✨")
|
||||
debug_print(f"📊 总动作数: {len(action_sequence)} 个")
|
||||
debug_print(f"🥽 路径: {from_vessel_id} → {to_vessel_id}")
|
||||
debug_print(f"🏛️ 柱子: {column}")
|
||||
debug_print(f"🧪 溶剂: {final_solvent1}:{final_solvent2} = {final_pct1:.1f}%:{final_pct2:.1f}%")
|
||||
debug_print(f"📊 体积变化统计:")
|
||||
debug_print(f" 源容器 {from_vessel_id}:")
|
||||
debug_print(f" - 柱层析前: {original_from_volume:.2f}mL")
|
||||
debug_print(f" - 柱层析后: {final_from_volume:.2f}mL")
|
||||
debug_print(f" 目标容器 {to_vessel_id}:")
|
||||
debug_print(f" - 柱层析前: {original_to_volume:.2f}mL")
|
||||
debug_print(f" - 柱层析后: {final_to_volume:.2f}mL")
|
||||
debug_print(f" - 收集体积: {final_to_volume - original_to_volume:.2f}mL")
|
||||
debug_print(f"⏱️ 预计总时间: {len(action_sequence) * 5:.0f} 秒 ⌛")
|
||||
debug_print("🏛️" * 20)
|
||||
|
||||
return action_sequence
|
||||
|
||||
# 🔧 新增：便捷函数
|
||||
def generate_ethyl_acetate_hexane_column_protocol(G: nx.DiGraph, from_vessel: dict, to_vessel: dict,
|
||||
column: str, ratio: str = "30:70") -> List[Dict[str, Any]]:
|
||||
"""乙酸乙酯-己烷柱层析（常用组合）"""
|
||||
from_vessel_id = from_vessel["id"]
|
||||
to_vessel_id = to_vessel["id"]
|
||||
debug_print(f"🧪⛽ 乙酸乙酯-己烷柱层析: {from_vessel_id} → {to_vessel_id} @ {ratio}")
|
||||
return generate_run_column_protocol(G, from_vessel, to_vessel, column,
|
||||
solvent1="ethyl_acetate", solvent2="hexane", ratio=ratio)
|
||||
|
||||
def generate_methanol_dcm_column_protocol(G: nx.DiGraph, from_vessel: dict, to_vessel: dict,
|
||||
column: str, ratio: str = "5:95") -> List[Dict[str, Any]]:
|
||||
"""甲醇-二氯甲烷柱层析"""
|
||||
from_vessel_id = from_vessel["id"]
|
||||
to_vessel_id = to_vessel["id"]
|
||||
debug_print(f"🧪🧪 甲醇-DCM柱层析: {from_vessel_id} → {to_vessel_id} @ {ratio}")
|
||||
return generate_run_column_protocol(G, from_vessel, to_vessel, column,
|
||||
solvent1="methanol", solvent2="dichloromethane", ratio=ratio)
|
||||
|
||||
def generate_gradient_column_protocol(G: nx.DiGraph, from_vessel: dict, to_vessel: dict,
|
||||
column: str, start_ratio: str = "10:90",
|
||||
end_ratio: str = "50:50") -> List[Dict[str, Any]]:
|
||||
"""梯度洗脱柱层析（中等比例）"""
|
||||
from_vessel_id = from_vessel["id"]
|
||||
to_vessel_id = to_vessel["id"]
|
||||
debug_print(f"📈 梯度柱层析: {from_vessel_id} → {to_vessel_id} ({start_ratio} → {end_ratio})")
|
||||
# 使用中间比例作为近似
|
||||
return generate_run_column_protocol(G, from_vessel, to_vessel, column, ratio="30:70")
|
||||
|
||||
def generate_polar_column_protocol(G: nx.DiGraph, from_vessel: dict, to_vessel: dict,
|
||||
column: str) -> List[Dict[str, Any]]:
|
||||
"""极性化合物柱层析（高极性溶剂比例）"""
|
||||
from_vessel_id = from_vessel["id"]
|
||||
to_vessel_id = to_vessel["id"]
|
||||
debug_print(f"⚡ 极性化合物柱层析: {from_vessel_id} → {to_vessel_id}")
|
||||
return generate_run_column_protocol(G, from_vessel, to_vessel, column,
|
||||
solvent1="ethyl_acetate", solvent2="hexane", ratio="70:30")
|
||||
|
||||
def generate_nonpolar_column_protocol(G: nx.DiGraph, from_vessel: dict, to_vessel: dict,
|
||||
column: str) -> List[Dict[str, Any]]:
|
||||
"""非极性化合物柱层析（低极性溶剂比例）"""
|
||||
from_vessel_id = from_vessel["id"]
|
||||
to_vessel_id = to_vessel["id"]
|
||||
debug_print(f"🛢️ 非极性化合物柱层析: {from_vessel_id} → {to_vessel_id}")
|
||||
return generate_run_column_protocol(G, from_vessel, to_vessel, column,
|
||||
solvent1="ethyl_acetate", solvent2="hexane", ratio="5:95")
|
||||
|
||||
# 测试函数
|
||||
def test_run_column_protocol():
|
||||
"""测试柱层析协议"""
|
||||
debug_print("🧪 === RUN COLUMN PROTOCOL 测试 === ✨")
|
||||
debug_print("✅ 测试完成 🎉")
|
||||
|
||||
if __name__ == "__main__":
|
||||
test_run_column_protocol()
|
||||
|
||||
@@ -1,230 +1,749 @@
|
||||
import numpy as np
|
||||
import networkx as nx
|
||||
import re
|
||||
import logging
|
||||
import sys
|
||||
from typing import List, Dict, Any, Union
|
||||
from .pump_protocol import generate_pump_protocol_with_rinsing
|
||||
|
||||
logger = logging.getLogger(__name__)
|
||||
|
||||
# 确保输出编码为UTF-8
|
||||
if hasattr(sys.stdout, 'reconfigure'):
|
||||
try:
|
||||
sys.stdout.reconfigure(encoding='utf-8')
|
||||
sys.stderr.reconfigure(encoding='utf-8')
|
||||
except:
|
||||
pass
|
||||
|
||||
def debug_print(message):
|
||||
"""调试输出函数 - 支持中文"""
|
||||
try:
|
||||
# 确保消息是字符串格式
|
||||
safe_message = str(message)
|
||||
print(f"🌀 [SEPARATE] {safe_message}", flush=True)
|
||||
logger.info(f"[SEPARATE] {safe_message}")
|
||||
except UnicodeEncodeError:
|
||||
# 如果编码失败，尝试替换不支持的字符
|
||||
safe_message = str(message).encode('utf-8', errors='replace').decode('utf-8')
|
||||
print(f"🌀 [SEPARATE] {safe_message}", flush=True)
|
||||
logger.info(f"[SEPARATE] {safe_message}")
|
||||
except Exception as e:
|
||||
# 最后的安全措施
|
||||
fallback_message = f"日志输出错误: {repr(message)}"
|
||||
print(f"🌀 [SEPARATE] {fallback_message}", flush=True)
|
||||
logger.info(f"[SEPARATE] {fallback_message}")
|
||||
|
||||
def create_action_log(message: str, emoji: str = "📝") -> Dict[str, Any]:
|
||||
"""创建一个动作日志 - 支持中文和emoji"""
|
||||
try:
|
||||
full_message = f"{emoji} {message}"
|
||||
debug_print(full_message)
|
||||
logger.info(full_message)
|
||||
|
||||
return {
|
||||
"action_name": "wait",
|
||||
"action_kwargs": {
|
||||
"time": 0.1,
|
||||
"log_message": full_message,
|
||||
"progress_message": full_message
|
||||
}
|
||||
}
|
||||
except Exception as e:
|
||||
# 如果emoji有问题，使用纯文本
|
||||
safe_message = f"[日志] {message}"
|
||||
debug_print(safe_message)
|
||||
logger.info(safe_message)
|
||||
|
||||
return {
|
||||
"action_name": "wait",
|
||||
"action_kwargs": {
|
||||
"time": 0.1,
|
||||
"log_message": safe_message,
|
||||
"progress_message": safe_message
|
||||
}
|
||||
}
|
||||
|
||||
def parse_volume_input(volume_input: Union[str, float]) -> float:
|
||||
"""
|
||||
解析体积输入，支持带单位的字符串
|
||||
|
||||
Args:
|
||||
volume_input: 体积输入（如 "200 mL", "?", 50.0）
|
||||
|
||||
Returns:
|
||||
float: 体积（毫升）
|
||||
"""
|
||||
if isinstance(volume_input, (int, float)):
|
||||
debug_print(f"📏 体积输入为数值: {volume_input}")
|
||||
return float(volume_input)
|
||||
|
||||
if not volume_input or not str(volume_input).strip():
|
||||
debug_print(f"⚠️ 体积输入为空，返回 0.0mL")
|
||||
return 0.0
|
||||
|
||||
volume_str = str(volume_input).lower().strip()
|
||||
debug_print(f"🔍 解析体积输入: '{volume_str}'")
|
||||
|
||||
# 处理未知体积
|
||||
if volume_str in ['?', 'unknown', 'tbd', 'to be determined', '未知', '待定']:
|
||||
default_volume = 100.0 # 默认100mL
|
||||
debug_print(f"❓ 检测到未知体积，使用默认值: {default_volume}mL")
|
||||
return default_volume
|
||||
|
||||
# 移除空格并提取数字和单位
|
||||
volume_clean = re.sub(r'\s+', '', volume_str)
|
||||
|
||||
# 匹配数字和单位的正则表达式
|
||||
match = re.match(r'([0-9]*\.?[0-9]+)\s*(ml|l|μl|ul|microliter|milliliter|liter|毫升|升|微升)?', volume_clean)
|
||||
|
||||
if not match:
|
||||
debug_print(f"⚠️ 无法解析体积: '{volume_str}'，使用默认值 100mL")
|
||||
return 100.0
|
||||
|
||||
value = float(match.group(1))
|
||||
unit = match.group(2) or 'ml' # 默认单位为毫升
|
||||
|
||||
# 转换为毫升
|
||||
if unit in ['l', 'liter', '升']:
|
||||
volume = value * 1000.0 # L -> mL
|
||||
debug_print(f"🔄 体积转换: {value}L -> {volume}mL")
|
||||
elif unit in ['μl', 'ul', 'microliter', '微升']:
|
||||
volume = value / 1000.0 # μL -> mL
|
||||
debug_print(f"🔄 体积转换: {value}μL -> {volume}mL")
|
||||
else: # ml, milliliter, 毫升 或默认
|
||||
volume = value # 已经是mL
|
||||
debug_print(f"✅ 体积已为毫升单位: {volume}mL")
|
||||
|
||||
return volume
|
||||
|
||||
def find_solvent_vessel(G: nx.DiGraph, solvent: str) -> str:
|
||||
"""查找溶剂容器，支持多种匹配模式"""
|
||||
if not solvent or not solvent.strip():
|
||||
debug_print("⏭️ 未指定溶剂，跳过溶剂容器查找")
|
||||
return ""
|
||||
|
||||
debug_print(f"🔍 正在查找溶剂 '{solvent}' 的容器...")
|
||||
|
||||
# 🔧 方法1：直接搜索 data.reagent_name 和 config.reagent
|
||||
debug_print(f"📋 方法1: 搜索试剂字段...")
|
||||
for node in G.nodes():
|
||||
node_data = G.nodes[node].get('data', {})
|
||||
node_type = G.nodes[node].get('type', '')
|
||||
config_data = G.nodes[node].get('config', {})
|
||||
|
||||
# 只搜索容器类型的节点
|
||||
if node_type == 'container':
|
||||
reagent_name = node_data.get('reagent_name', '').lower()
|
||||
config_reagent = config_data.get('reagent', '').lower()
|
||||
|
||||
# 精确匹配
|
||||
if reagent_name == solvent.lower() or config_reagent == solvent.lower():
|
||||
debug_print(f"✅ 通过试剂字段精确匹配找到容器: {node}")
|
||||
return node
|
||||
|
||||
# 模糊匹配
|
||||
if (solvent.lower() in reagent_name and reagent_name) or \
|
||||
(solvent.lower() in config_reagent and config_reagent):
|
||||
debug_print(f"✅ 通过试剂字段模糊匹配找到容器: {node}")
|
||||
return node
|
||||
|
||||
# 🔧 方法2：常见的容器命名规则
|
||||
debug_print(f"📋 方法2: 使用命名规则...")
|
||||
solvent_clean = solvent.lower().replace(' ', '_').replace('-', '_')
|
||||
possible_names = [
|
||||
f"flask_{solvent_clean}",
|
||||
f"bottle_{solvent_clean}",
|
||||
f"vessel_{solvent_clean}",
|
||||
f"{solvent_clean}_flask",
|
||||
f"{solvent_clean}_bottle",
|
||||
f"solvent_{solvent_clean}",
|
||||
f"reagent_{solvent_clean}",
|
||||
f"reagent_bottle_{solvent_clean}",
|
||||
f"reagent_bottle_1", # 通用试剂瓶
|
||||
f"reagent_bottle_2",
|
||||
f"reagent_bottle_3"
|
||||
]
|
||||
|
||||
debug_print(f"🎯 尝试的容器名称: {possible_names[:5]}... (共 {len(possible_names)} 个)")
|
||||
|
||||
for name in possible_names:
|
||||
if name in G.nodes():
|
||||
node_type = G.nodes[name].get('type', '')
|
||||
if node_type == 'container':
|
||||
debug_print(f"✅ 通过命名规则找到容器: {name}")
|
||||
return name
|
||||
|
||||
# 🔧 方法3：使用第一个试剂瓶作为备选
|
||||
debug_print(f"📋 方法3: 查找备用试剂瓶...")
|
||||
for node_id in G.nodes():
|
||||
node_data = G.nodes[node_id]
|
||||
if (node_data.get('type') == 'container' and
|
||||
('reagent' in node_id.lower() or 'bottle' in node_id.lower())):
|
||||
debug_print(f"⚠️ 未找到专用容器，使用备用容器: {node_id}")
|
||||
return node_id
|
||||
|
||||
debug_print(f"❌ 无法找到溶剂 '{solvent}' 的容器")
|
||||
return ""
|
||||
|
||||
def find_separator_device(G: nx.DiGraph, vessel: str) -> str:
|
||||
"""查找分离器设备，支持多种查找方式"""
|
||||
debug_print(f"🔍 正在查找容器 '{vessel}' 的分离器设备...")
|
||||
|
||||
# 方法1：查找连接到容器的分离器设备
|
||||
debug_print(f"📋 方法1: 检查连接的分离器...")
|
||||
separator_nodes = []
|
||||
for node in G.nodes():
|
||||
node_class = G.nodes[node].get('class', '').lower()
|
||||
if 'separator' in node_class:
|
||||
separator_nodes.append(node)
|
||||
debug_print(f"📋 发现分离器设备: {node}")
|
||||
|
||||
# 检查是否连接到目标容器
|
||||
if G.has_edge(node, vessel) or G.has_edge(vessel, node):
|
||||
debug_print(f"✅ 找到连接的分离器: {node}")
|
||||
return node
|
||||
|
||||
debug_print(f"📊 找到的分离器总数: {len(separator_nodes)}")
|
||||
|
||||
# 方法2：根据命名规则查找
|
||||
debug_print(f"📋 方法2: 使用命名规则...")
|
||||
possible_names = [
|
||||
f"{vessel}_controller",
|
||||
f"{vessel}_separator",
|
||||
vessel, # 容器本身可能就是分离器
|
||||
"separator_1",
|
||||
"virtual_separator",
|
||||
"liquid_handler_1", # 液体处理器也可能用于分离
|
||||
"controller_1"
|
||||
]
|
||||
|
||||
debug_print(f"🎯 尝试的分离器名称: {possible_names}")
|
||||
|
||||
for name in possible_names:
|
||||
if name in G.nodes():
|
||||
node_class = G.nodes[name].get('class', '').lower()
|
||||
if 'separator' in node_class or 'controller' in node_class:
|
||||
debug_print(f"✅ 通过命名规则找到分离器: {name}")
|
||||
return name
|
||||
|
||||
# 方法3：查找第一个分离器设备
|
||||
debug_print(f"📋 方法3: 使用第一个可用分离器...")
|
||||
if separator_nodes:
|
||||
debug_print(f"⚠️ 使用第一个分离器设备: {separator_nodes[0]}")
|
||||
return separator_nodes[0]
|
||||
|
||||
debug_print(f"❌ 未找到分离器设备")
|
||||
return ""
|
||||
|
||||
def find_connected_stirrer(G: nx.DiGraph, vessel: str) -> str:
|
||||
"""查找连接到指定容器的搅拌器"""
|
||||
debug_print(f"🔍 正在查找与容器 {vessel} 连接的搅拌器...")
|
||||
|
||||
stirrer_nodes = []
|
||||
for node in G.nodes():
|
||||
node_data = G.nodes[node]
|
||||
node_class = node_data.get('class', '') or ''
|
||||
|
||||
if 'stirrer' in node_class.lower():
|
||||
stirrer_nodes.append(node)
|
||||
debug_print(f"📋 发现搅拌器: {node}")
|
||||
|
||||
debug_print(f"📊 找到的搅拌器总数: {len(stirrer_nodes)}")
|
||||
|
||||
# 检查哪个搅拌器与目标容器相连
|
||||
for stirrer in stirrer_nodes:
|
||||
if G.has_edge(stirrer, vessel) or G.has_edge(vessel, stirrer):
|
||||
debug_print(f"✅ 找到连接的搅拌器: {stirrer}")
|
||||
return stirrer
|
||||
|
||||
# 如果没有连接的搅拌器，返回第一个可用的
|
||||
if stirrer_nodes:
|
||||
debug_print(f"⚠️ 未找到直接连接的搅拌器，使用第一个可用的: {stirrer_nodes[0]}")
|
||||
return stirrer_nodes[0]
|
||||
|
||||
debug_print("❌ 未找到搅拌器")
|
||||
return ""
|
||||
|
||||
def get_vessel_liquid_volume(vessel: dict) -> float:
|
||||
"""
|
||||
获取容器中的液体体积 - 支持vessel字典
|
||||
|
||||
Args:
|
||||
vessel: 容器字典
|
||||
|
||||
Returns:
|
||||
float: 液体体积（mL）
|
||||
"""
|
||||
if not vessel or "data" not in vessel:
|
||||
debug_print(f"⚠️ 容器数据为空，返回 0.0mL")
|
||||
return 0.0
|
||||
|
||||
vessel_data = vessel["data"]
|
||||
vessel_id = vessel.get("id", "unknown")
|
||||
|
||||
debug_print(f"🔍 读取容器 '{vessel_id}' 体积数据: {vessel_data}")
|
||||
|
||||
# 检查liquid_volume字段
|
||||
if "liquid_volume" in vessel_data:
|
||||
liquid_volume = vessel_data["liquid_volume"]
|
||||
|
||||
# 处理列表格式
|
||||
if isinstance(liquid_volume, list):
|
||||
if len(liquid_volume) > 0:
|
||||
volume = liquid_volume[0]
|
||||
if isinstance(volume, (int, float)):
|
||||
debug_print(f"✅ 容器 '{vessel_id}' 体积: {volume}mL (列表格式)")
|
||||
return float(volume)
|
||||
|
||||
# 处理直接数值格式
|
||||
elif isinstance(liquid_volume, (int, float)):
|
||||
debug_print(f"✅ 容器 '{vessel_id}' 体积: {liquid_volume}mL (数值格式)")
|
||||
return float(liquid_volume)
|
||||
|
||||
# 检查其他可能的体积字段
|
||||
volume_keys = ['current_volume', 'total_volume', 'volume']
|
||||
for key in volume_keys:
|
||||
if key in vessel_data:
|
||||
try:
|
||||
volume = float(vessel_data[key])
|
||||
if volume > 0:
|
||||
debug_print(f"✅ 容器 '{vessel_id}' 体积: {volume}mL (字段: {key})")
|
||||
return volume
|
||||
except (ValueError, TypeError):
|
||||
continue
|
||||
|
||||
debug_print(f"⚠️ 无法获取容器 '{vessel_id}' 的体积，返回默认值 50.0mL")
|
||||
return 50.0
|
||||
|
||||
def update_vessel_volume(vessel: dict, G: nx.DiGraph, new_volume: float, description: str = "") -> None:
|
||||
"""
|
||||
更新容器体积（同时更新vessel字典和图节点）
|
||||
|
||||
Args:
|
||||
vessel: 容器字典
|
||||
G: 网络图
|
||||
new_volume: 新体积
|
||||
description: 更新描述
|
||||
"""
|
||||
vessel_id = vessel.get("id", "unknown")
|
||||
|
||||
if description:
|
||||
debug_print(f"🔧 更新容器体积 - {description}")
|
||||
|
||||
# 更新vessel字典中的体积
|
||||
if "data" in vessel:
|
||||
if "liquid_volume" in vessel["data"]:
|
||||
current_volume = vessel["data"]["liquid_volume"]
|
||||
if isinstance(current_volume, list):
|
||||
if len(current_volume) > 0:
|
||||
vessel["data"]["liquid_volume"][0] = new_volume
|
||||
else:
|
||||
vessel["data"]["liquid_volume"] = [new_volume]
|
||||
else:
|
||||
vessel["data"]["liquid_volume"] = new_volume
|
||||
else:
|
||||
vessel["data"]["liquid_volume"] = new_volume
|
||||
else:
|
||||
vessel["data"] = {"liquid_volume": new_volume}
|
||||
|
||||
# 同时更新图中的容器数据
|
||||
if vessel_id in G.nodes():
|
||||
if 'data' not in G.nodes[vessel_id]:
|
||||
G.nodes[vessel_id]['data'] = {}
|
||||
|
||||
vessel_node_data = G.nodes[vessel_id]['data']
|
||||
current_node_volume = vessel_node_data.get('liquid_volume', 0.0)
|
||||
|
||||
if isinstance(current_node_volume, list):
|
||||
if len(current_node_volume) > 0:
|
||||
G.nodes[vessel_id]['data']['liquid_volume'][0] = new_volume
|
||||
else:
|
||||
G.nodes[vessel_id]['data']['liquid_volume'] = [new_volume]
|
||||
else:
|
||||
G.nodes[vessel_id]['data']['liquid_volume'] = new_volume
|
||||
|
||||
debug_print(f"📊 容器 '{vessel_id}' 体积已更新为: {new_volume:.2f}mL")
|
||||
|
||||
def generate_separate_protocol(
|
||||
G: nx.DiGraph,
|
||||
purpose: str, # 'wash' or 'extract'. 'wash' means that product phase will not be the added solvent phase, 'extract' means product phase will be the added solvent phase. If no solvent is added just use 'extract'.
|
||||
product_phase: str, # 'top' or 'bottom'. Phase that product will be in.
|
||||
from_vessel: str, #Contents of from_vessel are transferred to separation_vessel and separation is performed.
|
||||
separation_vessel: str, # Vessel in which separation of phases will be carried out.
|
||||
to_vessel: str, # Vessel to send product phase to.
|
||||
waste_phase_to_vessel: str, # Optional. Vessel to send waste phase to.
|
||||
solvent: str, # Optional. Solvent to add to separation vessel after contents of from_vessel has been transferred to create two phases.
|
||||
solvent_volume: float = 50, # Optional. Volume of solvent to add (mL).
|
||||
through: str = "", # Optional. Solid chemical to send product phase through on way to to_vessel, e.g. 'celite'.
|
||||
repeats: int = 1, # Optional. Number of separations to perform.
|
||||
stir_time: float = 30, # Optional. Time stir for after adding solvent, before separation of phases.
|
||||
stir_speed: float = 300, # Optional. Speed to stir at after adding solvent, before separation of phases.
|
||||
settling_time: float = 300 # Optional. Time
|
||||
) -> list[dict]:
|
||||
G: nx.DiGraph,
|
||||
# 🔧 基础参数，支持XDL的vessel参数
|
||||
vessel: dict = None, # 🔧 修改：从字符串改为字典类型
|
||||
purpose: str = "separate", # 分离目的
|
||||
product_phase: str = "top", # 产物相
|
||||
# 🔧 可选的详细参数
|
||||
from_vessel: Union[str, dict] = "", # 源容器（通常在separate前已经transfer了）
|
||||
separation_vessel: Union[str, dict] = "", # 分离容器（与vessel同义）
|
||||
to_vessel: Union[str, dict] = "", # 目标容器（可选）
|
||||
waste_phase_to_vessel: Union[str, dict] = "", # 废相目标容器
|
||||
product_vessel: Union[str, dict] = "", # XDL: 产物容器（与to_vessel同义）
|
||||
waste_vessel: Union[str, dict] = "", # XDL: 废液容器（与waste_phase_to_vessel同义）
|
||||
# 🔧 溶剂相关参数
|
||||
solvent: str = "", # 溶剂名称
|
||||
solvent_volume: Union[str, float] = 0.0, # 溶剂体积
|
||||
volume: Union[str, float] = 0.0, # XDL: 体积（与solvent_volume同义）
|
||||
# 🔧 操作参数
|
||||
through: str = "", # 通过材料
|
||||
repeats: int = 1, # 重复次数
|
||||
stir_time: float = 30.0, # 搅拌时间（秒）
|
||||
stir_speed: float = 300.0, # 搅拌速度
|
||||
settling_time: float = 300.0, # 沉降时间（秒）
|
||||
**kwargs
|
||||
) -> List[Dict[str, Any]]:
|
||||
"""
|
||||
Generate a protocol to clean a vessel with a solvent.
|
||||
生成分离操作的协议序列 - 支持vessel字典和体积运算
|
||||
|
||||
:param G: Directed graph. Nodes are containers and pumps, edges are fluidic connections.
|
||||
:param vessel: Vessel to clean.
|
||||
:param solvent: Solvent to clean vessel with.
|
||||
:param volume: Volume of solvent to clean vessel with.
|
||||
:param temp: Temperature to heat vessel to while cleaning.
|
||||
:param repeats: Number of cleaning cycles to perform.
|
||||
:return: List of actions to clean vessel.
|
||||
支持XDL参数格式：
|
||||
- vessel: 分离容器字典（必需）
|
||||
- purpose: "wash", "extract", "separate"
|
||||
- product_phase: "top", "bottom"
|
||||
- product_vessel: 产物收集容器
|
||||
- waste_vessel: 废液收集容器
|
||||
- solvent: 溶剂名称
|
||||
- volume: "200 mL", "?" 或数值
|
||||
- repeats: 重复次数
|
||||
|
||||
分离流程：
|
||||
1. （可选）添加溶剂到分离容器
|
||||
2. 搅拌混合
|
||||
3. 静置分层
|
||||
4. 收集指定相到目标容器
|
||||
5. 重复指定次数
|
||||
"""
|
||||
|
||||
# 生成泵操作的动作序列
|
||||
pump_action_sequence = []
|
||||
reactor_volume = 500.0
|
||||
waste_vessel = waste_phase_to_vessel
|
||||
# 🔧 核心修改：vessel参数兼容处理
|
||||
if vessel is None:
|
||||
if isinstance(separation_vessel, dict):
|
||||
vessel = separation_vessel
|
||||
else:
|
||||
raise ValueError("必须提供vessel字典参数")
|
||||
|
||||
# TODO：通过物料管理系统找到溶剂的容器
|
||||
if "," in solvent:
|
||||
solvents = solvent.split(",")
|
||||
assert len(solvents) == repeats, "Number of solvents must match number of repeats."
|
||||
# 🔧 核心修改：从字典中提取容器ID
|
||||
# 统一处理vessel参数
|
||||
if isinstance(vessel, dict):
|
||||
if "id" not in vessel:
|
||||
vessel_id = list(vessel.values())[0].get("id", "")
|
||||
else:
|
||||
vessel_id = vessel.get("id", "")
|
||||
vessel_data = vessel.get("data", {})
|
||||
else:
|
||||
vessel_id = str(vessel)
|
||||
vessel_data = G.nodes[vessel_id].get("data", {}) if vessel_id in G.nodes() else {}
|
||||
|
||||
debug_print("🌀" * 20)
|
||||
debug_print("🚀 开始生成分离协议（支持vessel字典和体积运算）✨")
|
||||
debug_print(f"📝 输入参数:")
|
||||
debug_print(f" 🥽 vessel: {vessel} (ID: {vessel_id})")
|
||||
debug_print(f" 🎯 分离目的: '{purpose}'")
|
||||
debug_print(f" 📊 产物相: '{product_phase}'")
|
||||
debug_print(f" 💧 溶剂: '{solvent}'")
|
||||
debug_print(f" 📏 体积: {volume} (类型: {type(volume)})")
|
||||
debug_print(f" 🔄 重复次数: {repeats}")
|
||||
debug_print(f" 🎯 产物容器: '{product_vessel}'")
|
||||
debug_print(f" 🗑️ 废液容器: '{waste_vessel}'")
|
||||
debug_print(f" 📦 其他参数: {kwargs}")
|
||||
debug_print("🌀" * 20)
|
||||
|
||||
action_sequence = []
|
||||
|
||||
# 🔧 新增：记录分离前的容器状态
|
||||
debug_print("🔍 记录分离前容器状态...")
|
||||
original_liquid_volume = get_vessel_liquid_volume(vessel)
|
||||
debug_print(f"📊 分离前液体体积: {original_liquid_volume:.2f}mL")
|
||||
|
||||
# === 参数验证和标准化 ===
|
||||
debug_print("🔍 步骤1: 参数验证和标准化...")
|
||||
action_sequence.append(create_action_log(f"开始分离操作 - 容器: {vessel_id}", "🎬"))
|
||||
action_sequence.append(create_action_log(f"分离目的: {purpose}", "🧪"))
|
||||
action_sequence.append(create_action_log(f"产物相: {product_phase}", "📊"))
|
||||
|
||||
# 统一容器参数 - 支持字典和字符串
|
||||
def extract_vessel_id(vessel_param):
|
||||
if isinstance(vessel_param, dict):
|
||||
return vessel_param.get("id", "")
|
||||
elif isinstance(vessel_param, str):
|
||||
return vessel_param
|
||||
else:
|
||||
return ""
|
||||
|
||||
final_vessel_id = vessel_id
|
||||
final_to_vessel_id = extract_vessel_id(to_vessel) or extract_vessel_id(product_vessel)
|
||||
final_waste_vessel_id = extract_vessel_id(waste_phase_to_vessel) or extract_vessel_id(waste_vessel)
|
||||
|
||||
# 统一体积参数
|
||||
final_volume = parse_volume_input(volume or solvent_volume)
|
||||
|
||||
# 🔧 修复：确保repeats至少为1
|
||||
if repeats <= 0:
|
||||
repeats = 1
|
||||
debug_print(f"⚠️ 重复次数参数 <= 0，自动设置为 1")
|
||||
|
||||
debug_print(f"🔧 标准化后的参数:")
|
||||
debug_print(f" 🥼 分离容器: '{final_vessel_id}'")
|
||||
debug_print(f" 🎯 产物容器: '{final_to_vessel_id}'")
|
||||
debug_print(f" 🗑️ 废液容器: '{final_waste_vessel_id}'")
|
||||
debug_print(f" 📏 溶剂体积: {final_volume}mL")
|
||||
debug_print(f" 🔄 重复次数: {repeats}")
|
||||
|
||||
action_sequence.append(create_action_log(f"分离容器: {final_vessel_id}", "🧪"))
|
||||
action_sequence.append(create_action_log(f"溶剂体积: {final_volume}mL", "📏"))
|
||||
action_sequence.append(create_action_log(f"重复次数: {repeats}", "🔄"))
|
||||
|
||||
# 验证必需参数
|
||||
if not purpose:
|
||||
purpose = "separate"
|
||||
if not product_phase:
|
||||
product_phase = "top"
|
||||
if purpose not in ["wash", "extract", "separate"]:
|
||||
debug_print(f"⚠️ 未知的分离目的 '{purpose}'，使用默认值 'separate'")
|
||||
purpose = "separate"
|
||||
action_sequence.append(create_action_log(f"未知目的，使用: {purpose}", "⚠️"))
|
||||
if product_phase not in ["top", "bottom"]:
|
||||
debug_print(f"⚠️ 未知的产物相 '{product_phase}'，使用默认值 'top'")
|
||||
product_phase = "top"
|
||||
action_sequence.append(create_action_log(f"未知相别，使用: {product_phase}", "⚠️"))
|
||||
|
||||
debug_print("✅ 参数验证通过")
|
||||
action_sequence.append(create_action_log("参数验证通过", "✅"))
|
||||
|
||||
# === 查找设备 ===
|
||||
debug_print("🔍 步骤2: 查找设备...")
|
||||
action_sequence.append(create_action_log("正在查找相关设备...", "🔍"))
|
||||
|
||||
# 查找分离器设备
|
||||
separator_device = find_separator_device(G, final_vessel_id) # 🔧 使用 final_vessel_id
|
||||
if separator_device:
|
||||
action_sequence.append(create_action_log(f"找到分离器设备: {separator_device}", "🧪"))
|
||||
else:
|
||||
solvents = [solvent] * repeats
|
||||
debug_print("⚠️ 未找到分离器设备，可能无法执行分离")
|
||||
action_sequence.append(create_action_log("未找到分离器设备", "⚠️"))
|
||||
|
||||
# TODO: 通过设备连接图找到分离容器的控制器、底部出口
|
||||
separator_controller = f"{separation_vessel}_controller"
|
||||
separation_vessel_bottom = f"flask_{separation_vessel}"
|
||||
# 查找搅拌器
|
||||
stirrer_device = find_connected_stirrer(G, final_vessel_id) # 🔧 使用 final_vessel_id
|
||||
if stirrer_device:
|
||||
action_sequence.append(create_action_log(f"找到搅拌器: {stirrer_device}", "🌪️"))
|
||||
else:
|
||||
action_sequence.append(create_action_log("未找到搅拌器", "⚠️"))
|
||||
|
||||
transfer_flowrate = flowrate = 2.5
|
||||
# 查找溶剂容器（如果需要）
|
||||
solvent_vessel = ""
|
||||
if solvent and solvent.strip():
|
||||
solvent_vessel = find_solvent_vessel(G, solvent)
|
||||
if solvent_vessel:
|
||||
action_sequence.append(create_action_log(f"找到溶剂容器: {solvent_vessel}", "💧"))
|
||||
else:
|
||||
action_sequence.append(create_action_log(f"未找到溶剂容器: {solvent}", "⚠️"))
|
||||
|
||||
if from_vessel != separation_vessel:
|
||||
pump_action_sequence.append(
|
||||
{
|
||||
"device_id": "",
|
||||
"action_name": "PumpTransferProtocol",
|
||||
"action_kwargs": {
|
||||
"from_vessel": from_vessel,
|
||||
"to_vessel": separation_vessel,
|
||||
"volume": reactor_volume,
|
||||
"time": reactor_volume / flowrate,
|
||||
# "transfer_flowrate": transfer_flowrate,
|
||||
debug_print(f"📊 设备配置:")
|
||||
debug_print(f" 🧪 分离器设备: '{separator_device}'")
|
||||
debug_print(f" 🌪️ 搅拌器设备: '{stirrer_device}'")
|
||||
debug_print(f" 💧 溶剂容器: '{solvent_vessel}'")
|
||||
|
||||
# === 执行分离流程 ===
|
||||
debug_print("🔍 步骤3: 执行分离流程...")
|
||||
action_sequence.append(create_action_log("开始分离工作流程", "🎯"))
|
||||
|
||||
# 🔧 新增：体积变化跟踪变量
|
||||
current_volume = original_liquid_volume
|
||||
|
||||
try:
|
||||
for repeat_idx in range(repeats):
|
||||
cycle_num = repeat_idx + 1
|
||||
debug_print(f"🔄 第{cycle_num}轮: 开始分离循环 {cycle_num}/{repeats}")
|
||||
action_sequence.append(create_action_log(f"分离循环 {cycle_num}/{repeats} 开始", "🔄"))
|
||||
|
||||
# 步骤3.1: 添加溶剂（如果需要）
|
||||
if solvent_vessel and final_volume > 0:
|
||||
debug_print(f"🔄 第{cycle_num}轮 步骤1: 添加溶剂 {solvent} ({final_volume}mL)")
|
||||
action_sequence.append(create_action_log(f"向分离容器添加 {final_volume}mL {solvent}", "💧"))
|
||||
|
||||
try:
|
||||
# 使用pump protocol添加溶剂
|
||||
pump_actions = generate_pump_protocol_with_rinsing(
|
||||
G=G,
|
||||
from_vessel=solvent_vessel,
|
||||
to_vessel=final_vessel_id, # 🔧 使用 final_vessel_id
|
||||
volume=final_volume,
|
||||
amount="",
|
||||
time=0.0,
|
||||
viscous=False,
|
||||
rinsing_solvent="",
|
||||
rinsing_volume=0.0,
|
||||
rinsing_repeats=0,
|
||||
solid=False,
|
||||
flowrate=2.5,
|
||||
transfer_flowrate=0.5,
|
||||
rate_spec="",
|
||||
event="",
|
||||
through="",
|
||||
**kwargs
|
||||
)
|
||||
action_sequence.extend(pump_actions)
|
||||
debug_print(f"✅ 溶剂添加完成，添加了 {len(pump_actions)} 个动作")
|
||||
action_sequence.append(create_action_log(f"溶剂转移完成 ({len(pump_actions)} 个操作)", "✅"))
|
||||
|
||||
# 🔧 新增：更新体积 - 添加溶剂后
|
||||
current_volume += final_volume
|
||||
update_vessel_volume(vessel, G, current_volume, f"添加{final_volume}mL {solvent}后")
|
||||
|
||||
except Exception as e:
|
||||
debug_print(f"❌ 溶剂添加失败: {str(e)}")
|
||||
action_sequence.append(create_action_log(f"溶剂添加失败: {str(e)}", "❌"))
|
||||
else:
|
||||
debug_print(f"🔄 第{cycle_num}轮 步骤1: 无需添加溶剂")
|
||||
action_sequence.append(create_action_log("无需添加溶剂", "⏭️"))
|
||||
|
||||
# 步骤3.2: 启动搅拌（如果有搅拌器）
|
||||
if stirrer_device and stir_time > 0:
|
||||
debug_print(f"🔄 第{cycle_num}轮 步骤2: 开始搅拌 ({stir_speed}rpm，持续 {stir_time}s)")
|
||||
action_sequence.append(create_action_log(f"开始搅拌: {stir_speed}rpm，持续 {stir_time}s", "🌪️"))
|
||||
|
||||
action_sequence.append({
|
||||
"device_id": stirrer_device,
|
||||
"action_name": "start_stir",
|
||||
"action_kwargs": {
|
||||
"vessel": final_vessel_id, # 🔧 使用 final_vessel_id
|
||||
"stir_speed": stir_speed,
|
||||
"purpose": f"分离混合 - {purpose}"
|
||||
}
|
||||
})
|
||||
|
||||
# 搅拌等待
|
||||
stir_minutes = stir_time / 60
|
||||
action_sequence.append(create_action_log(f"搅拌中，持续 {stir_minutes:.1f} 分钟", "⏱️"))
|
||||
action_sequence.append({
|
||||
"action_name": "wait",
|
||||
"action_kwargs": {"time": stir_time}
|
||||
})
|
||||
|
||||
# 停止搅拌
|
||||
action_sequence.append(create_action_log("停止搅拌器", "🛑"))
|
||||
action_sequence.append({
|
||||
"device_id": stirrer_device,
|
||||
"action_name": "stop_stir",
|
||||
"action_kwargs": {"vessel": final_vessel_id} # 🔧 使用 final_vessel_id
|
||||
})
|
||||
|
||||
else:
|
||||
debug_print(f"🔄 第{cycle_num}轮 步骤2: 无需搅拌")
|
||||
action_sequence.append(create_action_log("无需搅拌", "⏭️"))
|
||||
|
||||
# 步骤3.3: 静置分层
|
||||
if settling_time > 0:
|
||||
debug_print(f"🔄 第{cycle_num}轮 步骤3: 静置分层 ({settling_time}s)")
|
||||
settling_minutes = settling_time / 60
|
||||
action_sequence.append(create_action_log(f"静置分层 ({settling_minutes:.1f} 分钟)", "⚖️"))
|
||||
action_sequence.append({
|
||||
"action_name": "wait",
|
||||
"action_kwargs": {"time": settling_time}
|
||||
})
|
||||
else:
|
||||
debug_print(f"🔄 第{cycle_num}轮 步骤3: 未指定静置时间")
|
||||
action_sequence.append(create_action_log("未指定静置时间", "⏭️"))
|
||||
|
||||
# 步骤3.4: 执行分离操作
|
||||
if separator_device:
|
||||
debug_print(f"🔄 第{cycle_num}轮 步骤4: 执行分离操作")
|
||||
action_sequence.append(create_action_log(f"执行分离: 收集{product_phase}相", "🧪"))
|
||||
|
||||
# 调用分离器设备的separate方法
|
||||
separate_action = {
|
||||
"device_id": separator_device,
|
||||
"action_name": "separate",
|
||||
"action_kwargs": {
|
||||
"purpose": purpose,
|
||||
"product_phase": product_phase,
|
||||
"from_vessel": extract_vessel_id(from_vessel) or final_vessel_id, # 🔧 使用vessel_id
|
||||
"separation_vessel": final_vessel_id, # 🔧 使用 final_vessel_id
|
||||
"to_vessel": final_to_vessel_id or final_vessel_id, # 🔧 使用vessel_id
|
||||
"waste_phase_to_vessel": final_waste_vessel_id or final_vessel_id, # 🔧 使用vessel_id
|
||||
"solvent": solvent,
|
||||
"solvent_volume": final_volume,
|
||||
"through": through,
|
||||
"repeats": 1, # 每次调用只做一次分离
|
||||
"stir_time": 0, # 已经在上面完成
|
||||
"stir_speed": stir_speed,
|
||||
"settling_time": 0 # 已经在上面完成
|
||||
}
|
||||
}
|
||||
action_sequence.append(separate_action)
|
||||
debug_print(f"✅ 分离操作已添加")
|
||||
action_sequence.append(create_action_log("分离操作完成", "✅"))
|
||||
|
||||
# 🔧 新增：分离后体积估算（分离通常不改变总体积，但会重新分配）
|
||||
# 假设分离后保持体积（实际情况可能有少量损失）
|
||||
separated_volume = current_volume * 0.95 # 假设5%损失
|
||||
update_vessel_volume(vessel, G, separated_volume, f"分离操作后（第{cycle_num}轮）")
|
||||
current_volume = separated_volume
|
||||
|
||||
# 收集结果
|
||||
if final_to_vessel_id:
|
||||
action_sequence.append(create_action_log(f"产物 ({product_phase}相) 收集到: {final_to_vessel_id}", "📦"))
|
||||
if final_waste_vessel_id:
|
||||
action_sequence.append(create_action_log(f"废相收集到: {final_waste_vessel_id}", "🗑️"))
|
||||
|
||||
else:
|
||||
debug_print(f"🔄 第{cycle_num}轮 步骤4: 无分离器设备，跳过分离")
|
||||
action_sequence.append(create_action_log("无分离器设备可用", "❌"))
|
||||
# 添加等待时间模拟分离
|
||||
action_sequence.append({
|
||||
"action_name": "wait",
|
||||
"action_kwargs": {"time": 10.0}
|
||||
})
|
||||
|
||||
# 循环间等待（除了最后一次）
|
||||
if repeat_idx < repeats - 1:
|
||||
debug_print(f"🔄 第{cycle_num}轮: 等待下一次循环...")
|
||||
action_sequence.append(create_action_log("等待下一次循环...", "⏳"))
|
||||
action_sequence.append({
|
||||
"action_name": "wait",
|
||||
"action_kwargs": {"time": 5}
|
||||
})
|
||||
else:
|
||||
action_sequence.append(create_action_log(f"分离循环 {cycle_num}/{repeats} 完成", "🌟"))
|
||||
|
||||
except Exception as e:
|
||||
debug_print(f"❌ 分离工作流程执行失败: {str(e)}")
|
||||
action_sequence.append(create_action_log(f"分离工作流程失败: {str(e)}", "❌"))
|
||||
# 添加错误日志
|
||||
action_sequence.append({
|
||||
"device_id": "system",
|
||||
"action_name": "log_message",
|
||||
"action_kwargs": {
|
||||
"message": f"分离操作失败: {str(e)}"
|
||||
}
|
||||
)
|
||||
|
||||
# for i in range(2):
|
||||
# pump_action_sequence.append(
|
||||
# {
|
||||
# "device_id": "",
|
||||
# "action_name": "CleanProtocol",
|
||||
# "action_kwargs": {
|
||||
# "vessel": from_vessel,
|
||||
# "solvent": "H2O", # Solvent to clean vessel with.
|
||||
# "volume": solvent_volume, # Optional. Volume of solvent to clean vessel with.
|
||||
# "temp": 25.0, # Optional. Temperature to heat vessel to while cleaning.
|
||||
# "repeats": 1
|
||||
# }
|
||||
# }
|
||||
# )
|
||||
# pump_action_sequence.append(
|
||||
# {
|
||||
# "device_id": "",
|
||||
# "action_name": "CleanProtocol",
|
||||
# "action_kwargs": {
|
||||
# "vessel": from_vessel,
|
||||
# "solvent": "CH2Cl2", # Solvent to clean vessel with.
|
||||
# "volume": solvent_volume, # Optional. Volume of solvent to clean vessel with.
|
||||
# "temp": 25.0, # Optional. Temperature to heat vessel to while cleaning.
|
||||
# "repeats": 1
|
||||
# }
|
||||
# }
|
||||
# )
|
||||
})
|
||||
|
||||
# 生成泵操作的动作序列
|
||||
for i in range(repeats):
|
||||
# 找到当次萃取所用溶剂
|
||||
solvent_thistime = solvents[i]
|
||||
solvent_vessel = f"flask_{solvent_thistime}"
|
||||
|
||||
pump_action_sequence.append(
|
||||
{
|
||||
"device_id": "",
|
||||
"action_name": "PumpTransferProtocol",
|
||||
"action_kwargs": {
|
||||
"from_vessel": solvent_vessel,
|
||||
"to_vessel": separation_vessel,
|
||||
"volume": solvent_volume,
|
||||
"time": solvent_volume / flowrate,
|
||||
# "transfer_flowrate": transfer_flowrate,
|
||||
}
|
||||
}
|
||||
)
|
||||
pump_action_sequence.extend([
|
||||
# 搅拌、静置
|
||||
{
|
||||
"device_id": separator_controller,
|
||||
"action_name": "stir",
|
||||
"action_kwargs": {
|
||||
"stir_time": stir_time,
|
||||
"stir_speed": stir_speed,
|
||||
"settling_time": settling_time
|
||||
}
|
||||
},
|
||||
# 分液（判断电导突跃）
|
||||
{
|
||||
"device_id": separator_controller,
|
||||
"action_name": "valve_open",
|
||||
"action_kwargs": {
|
||||
"command": "delta > 0.05"
|
||||
}
|
||||
}
|
||||
])
|
||||
|
||||
if product_phase == "bottom":
|
||||
# 产物转移到目标瓶
|
||||
pump_action_sequence.append(
|
||||
{
|
||||
"device_id": "",
|
||||
"action_name": "PumpTransferProtocol",
|
||||
"action_kwargs": {
|
||||
"from_vessel": separation_vessel_bottom,
|
||||
"to_vessel": to_vessel,
|
||||
"volume": 250.0,
|
||||
"time": 250.0 / flowrate,
|
||||
# "transfer_flowrate": transfer_flowrate,
|
||||
}
|
||||
}
|
||||
)
|
||||
# 放出上面那一相，60秒后关阀门
|
||||
pump_action_sequence.append(
|
||||
{
|
||||
"device_id": separator_controller,
|
||||
"action_name": "valve_open",
|
||||
"action_kwargs": {
|
||||
"command": "time > 60"
|
||||
}
|
||||
}
|
||||
)
|
||||
# 弃去上面那一相进废液
|
||||
pump_action_sequence.append(
|
||||
{
|
||||
"device_id": "",
|
||||
"action_name": "PumpTransferProtocol",
|
||||
"action_kwargs": {
|
||||
"from_vessel": separation_vessel_bottom,
|
||||
"to_vessel": waste_vessel,
|
||||
"volume": 250.0,
|
||||
"time": 250.0 / flowrate,
|
||||
# "transfer_flowrate": transfer_flowrate,
|
||||
}
|
||||
}
|
||||
)
|
||||
elif product_phase == "top":
|
||||
# 弃去下面那一相进废液
|
||||
pump_action_sequence.append(
|
||||
{
|
||||
"device_id": "",
|
||||
"action_name": "PumpTransferProtocol",
|
||||
"action_kwargs": {
|
||||
"from_vessel": separation_vessel_bottom,
|
||||
"to_vessel": waste_vessel,
|
||||
"volume": 250.0,
|
||||
"time": 250.0 / flowrate,
|
||||
# "transfer_flowrate": transfer_flowrate,
|
||||
}
|
||||
}
|
||||
)
|
||||
# 放出上面那一相
|
||||
pump_action_sequence.append(
|
||||
{
|
||||
"device_id": separator_controller,
|
||||
"action_name": "valve_open",
|
||||
"action_kwargs": {
|
||||
"command": "time > 60"
|
||||
}
|
||||
}
|
||||
)
|
||||
# 产物转移到目标瓶
|
||||
pump_action_sequence.append(
|
||||
{
|
||||
"device_id": "",
|
||||
"action_name": "PumpTransferProtocol",
|
||||
"action_kwargs": {
|
||||
"from_vessel": separation_vessel_bottom,
|
||||
"to_vessel": to_vessel,
|
||||
"volume": 250.0,
|
||||
"time": 250.0 / flowrate,
|
||||
# "transfer_flowrate": transfer_flowrate,
|
||||
}
|
||||
}
|
||||
)
|
||||
elif product_phase == "organic":
|
||||
pass
|
||||
|
||||
# 如果不是最后一次，从中转瓶转移回分液漏斗
|
||||
if i < repeats - 1:
|
||||
pump_action_sequence.append(
|
||||
{
|
||||
"device_id": "",
|
||||
"action_name": "PumpTransferProtocol",
|
||||
"action_kwargs": {
|
||||
"from_vessel": to_vessel,
|
||||
"to_vessel": separation_vessel,
|
||||
"volume": 250.0,
|
||||
"time": 250.0 / flowrate,
|
||||
# "transfer_flowrate": transfer_flowrate,
|
||||
}
|
||||
}
|
||||
)
|
||||
return pump_action_sequence
|
||||
# 🔧 新增：分离完成后的最终状态报告
|
||||
final_liquid_volume = get_vessel_liquid_volume(vessel)
|
||||
|
||||
# === 最终结果 ===
|
||||
total_time = (stir_time + settling_time + 15) * repeats # 估算总时间
|
||||
|
||||
debug_print("🌀" * 20)
|
||||
debug_print(f"🎉 分离协议生成完成")
|
||||
debug_print(f"📊 协议统计:")
|
||||
debug_print(f" 📋 总动作数: {len(action_sequence)}")
|
||||
debug_print(f" ⏱️ 预计总时间: {total_time:.0f}s ({total_time/60:.1f} 分钟)")
|
||||
debug_print(f" 🥼 分离容器: {final_vessel_id}")
|
||||
debug_print(f" 🎯 分离目的: {purpose}")
|
||||
debug_print(f" 📊 产物相: {product_phase}")
|
||||
debug_print(f" 🔄 重复次数: {repeats}")
|
||||
debug_print(f"💧 体积变化统计:")
|
||||
debug_print(f" - 分离前体积: {original_liquid_volume:.2f}mL")
|
||||
debug_print(f" - 分离后体积: {final_liquid_volume:.2f}mL")
|
||||
if solvent:
|
||||
debug_print(f" 💧 溶剂: {solvent} ({final_volume}mL × {repeats}轮 = {final_volume * repeats:.2f}mL)")
|
||||
if final_to_vessel_id:
|
||||
debug_print(f" 🎯 产物容器: {final_to_vessel_id}")
|
||||
if final_waste_vessel_id:
|
||||
debug_print(f" 🗑️ 废液容器: {final_waste_vessel_id}")
|
||||
debug_print("🌀" * 20)
|
||||
|
||||
# 添加完成日志
|
||||
summary_msg = f"分离协议完成: {final_vessel_id} ({purpose}，{repeats} 次循环)"
|
||||
if solvent:
|
||||
summary_msg += f"，使用 {final_volume * repeats:.2f}mL {solvent}"
|
||||
action_sequence.append(create_action_log(summary_msg, "🎉"))
|
||||
|
||||
return action_sequence
|
||||
|
||||
|
||||
545
unilabos/compile/stir_protocol.py
Normal file
545
unilabos/compile/stir_protocol.py
Normal file
@@ -0,0 +1,545 @@
|
||||
from typing import List, Dict, Any, Union
|
||||
import networkx as nx
|
||||
import logging
|
||||
import re
|
||||
|
||||
logger = logging.getLogger(__name__)
|
||||
|
||||
def debug_print(message):
|
||||
"""调试输出"""
|
||||
print(f"🌪️ [STIR] {message}", flush=True)
|
||||
logger.info(f"[STIR] {message}")
|
||||
|
||||
def parse_time_input(time_input: Union[str, float, int], default_unit: str = "s") -> float:
|
||||
"""
|
||||
统一的时间解析函数（精简版）
|
||||
|
||||
Args:
|
||||
time_input: 时间输入（如 "30 min", "1 h", "300", "?", 60.0）
|
||||
default_unit: 默认单位（默认为秒）
|
||||
|
||||
Returns:
|
||||
float: 时间（秒）
|
||||
"""
|
||||
if not time_input:
|
||||
return 100.0 # 默认100秒
|
||||
|
||||
# 🔢 处理数值输入
|
||||
if isinstance(time_input, (int, float)):
|
||||
result = float(time_input)
|
||||
debug_print(f"⏰ 数值时间: {time_input} → {result}s")
|
||||
return result
|
||||
|
||||
# 📝 处理字符串输入
|
||||
time_str = str(time_input).lower().strip()
|
||||
debug_print(f"🔍 解析时间: '{time_str}'")
|
||||
|
||||
# ❓ 特殊值处理
|
||||
special_times = {
|
||||
'?': 300.0, 'unknown': 300.0, 'tbd': 300.0,
|
||||
'briefly': 30.0, 'quickly': 60.0, 'slowly': 600.0,
|
||||
'several minutes': 300.0, 'few minutes': 180.0, 'overnight': 3600.0
|
||||
}
|
||||
|
||||
if time_str in special_times:
|
||||
result = special_times[time_str]
|
||||
debug_print(f"🎯 特殊时间: '{time_str}' → {result}s ({result/60:.1f}分钟)")
|
||||
return result
|
||||
|
||||
# 🔢 纯数字处理
|
||||
try:
|
||||
result = float(time_str)
|
||||
debug_print(f"⏰ 纯数字: {time_str} → {result}s")
|
||||
return result
|
||||
except ValueError:
|
||||
pass
|
||||
|
||||
# 📐 正则表达式解析
|
||||
pattern = r'(\d+\.?\d*)\s*([a-z]*)'
|
||||
match = re.match(pattern, time_str)
|
||||
|
||||
if not match:
|
||||
debug_print(f"⚠️ 无法解析时间: '{time_str}'，使用默认值: 100s")
|
||||
return 100.0
|
||||
|
||||
value = float(match.group(1))
|
||||
unit = match.group(2) or default_unit
|
||||
|
||||
# 📏 单位转换
|
||||
unit_multipliers = {
|
||||
's': 1.0, 'sec': 1.0, 'second': 1.0, 'seconds': 1.0,
|
||||
'm': 60.0, 'min': 60.0, 'mins': 60.0, 'minute': 60.0, 'minutes': 60.0,
|
||||
'h': 3600.0, 'hr': 3600.0, 'hrs': 3600.0, 'hour': 3600.0, 'hours': 3600.0,
|
||||
'd': 86400.0, 'day': 86400.0, 'days': 86400.0
|
||||
}
|
||||
|
||||
multiplier = unit_multipliers.get(unit, 1.0)
|
||||
result = value * multiplier
|
||||
|
||||
debug_print(f"✅ 时间解析: '{time_str}' → {value} {unit} → {result}s ({result/60:.1f}分钟)")
|
||||
return result
|
||||
|
||||
def find_connected_stirrer(G: nx.DiGraph, vessel: str = None) -> str:
|
||||
"""查找与指定容器相连的搅拌设备"""
|
||||
debug_print(f"🔍 查找搅拌设备，目标容器: {vessel} 🥽")
|
||||
|
||||
# 🔧 查找所有搅拌设备
|
||||
stirrer_nodes = []
|
||||
for node in G.nodes():
|
||||
node_data = G.nodes[node]
|
||||
node_class = node_data.get('class', '') or ''
|
||||
|
||||
if 'stirrer' in node_class.lower() or 'virtual_stirrer' in node_class:
|
||||
stirrer_nodes.append(node)
|
||||
debug_print(f"🎉 找到搅拌设备: {node} 🌪️")
|
||||
|
||||
# 🔗 检查连接
|
||||
if vessel and stirrer_nodes:
|
||||
for stirrer in stirrer_nodes:
|
||||
if G.has_edge(stirrer, vessel) or G.has_edge(vessel, stirrer):
|
||||
debug_print(f"✅ 搅拌设备 '{stirrer}' 与容器 '{vessel}' 相连 🔗")
|
||||
return stirrer
|
||||
|
||||
# 🎯 使用第一个可用设备
|
||||
if stirrer_nodes:
|
||||
selected = stirrer_nodes[0]
|
||||
debug_print(f"🔧 使用第一个搅拌设备: {selected} 🌪️")
|
||||
return selected
|
||||
|
||||
# 🆘 默认设备
|
||||
debug_print("⚠️ 未找到搅拌设备，使用默认设备 🌪️")
|
||||
return "stirrer_1"
|
||||
|
||||
def validate_and_fix_params(stir_time: float, stir_speed: float, settling_time: float) -> tuple:
|
||||
"""验证和修正参数"""
|
||||
# ⏰ 搅拌时间验证
|
||||
if stir_time < 0:
|
||||
debug_print(f"⚠️ 搅拌时间 {stir_time}s 无效，修正为 100s 🕐")
|
||||
stir_time = 100.0
|
||||
elif stir_time > 100: # 限制为100s
|
||||
debug_print(f"⚠️ 搅拌时间 {stir_time}s 过长，仿真运行时，修正为 100s 🕐")
|
||||
stir_time = 100.0
|
||||
else:
|
||||
debug_print(f"✅ 搅拌时间 {stir_time}s ({stir_time/60:.1f}分钟) 有效 ⏰")
|
||||
|
||||
# 🌪️ 搅拌速度验证
|
||||
if stir_speed < 10.0 or stir_speed > 1500.0:
|
||||
debug_print(f"⚠️ 搅拌速度 {stir_speed} RPM 超出范围，修正为 300 RPM 🌪️")
|
||||
stir_speed = 300.0
|
||||
else:
|
||||
debug_print(f"✅ 搅拌速度 {stir_speed} RPM 在正常范围内 🌪️")
|
||||
|
||||
# ⏱️ 沉降时间验证
|
||||
if settling_time < 0 or settling_time > 600: # 限制为10分钟
|
||||
debug_print(f"⚠️ 沉降时间 {settling_time}s 超出范围，修正为 60s ⏱️")
|
||||
settling_time = 60.0
|
||||
else:
|
||||
debug_print(f"✅ 沉降时间 {settling_time}s 在正常范围内 ⏱️")
|
||||
|
||||
return stir_time, stir_speed, settling_time
|
||||
|
||||
def extract_vessel_id(vessel: Union[str, dict]) -> str:
|
||||
"""
|
||||
从vessel参数中提取vessel_id
|
||||
|
||||
Args:
|
||||
vessel: vessel字典或vessel_id字符串
|
||||
|
||||
Returns:
|
||||
str: vessel_id
|
||||
"""
|
||||
if isinstance(vessel, dict):
|
||||
vessel_id = list(vessel.values())[0].get("id", "")
|
||||
debug_print(f"🔧 从vessel字典提取ID: {vessel_id}")
|
||||
return vessel_id
|
||||
elif isinstance(vessel, str):
|
||||
debug_print(f"🔧 vessel参数为字符串: {vessel}")
|
||||
return vessel
|
||||
else:
|
||||
debug_print(f"⚠️ 无效的vessel参数类型: {type(vessel)}")
|
||||
return ""
|
||||
|
||||
def get_vessel_display_info(vessel: Union[str, dict]) -> str:
|
||||
"""
|
||||
获取容器的显示信息（用于日志）
|
||||
|
||||
Args:
|
||||
vessel: vessel字典或vessel_id字符串
|
||||
|
||||
Returns:
|
||||
str: 显示信息
|
||||
"""
|
||||
if isinstance(vessel, dict):
|
||||
vessel_id = vessel.get("id", "unknown")
|
||||
vessel_name = vessel.get("name", "")
|
||||
if vessel_name:
|
||||
return f"{vessel_id} ({vessel_name})"
|
||||
else:
|
||||
return vessel_id
|
||||
else:
|
||||
return str(vessel)
|
||||
|
||||
def generate_stir_protocol(
|
||||
G: nx.DiGraph,
|
||||
vessel: Union[str, dict], # 支持vessel字典或字符串
|
||||
time: Union[str, float, int] = "300",
|
||||
stir_time: Union[str, float, int] = "0",
|
||||
time_spec: str = "",
|
||||
event: str = "",
|
||||
stir_speed: float = 300.0,
|
||||
settling_time: Union[str, float] = "60",
|
||||
**kwargs
|
||||
) -> List[Dict[str, Any]]:
|
||||
"""生成搅拌操作的协议序列 - 修复vessel参数传递"""
|
||||
|
||||
# 🔧 核心修改：正确处理vessel参数
|
||||
vessel_id = extract_vessel_id(vessel)
|
||||
vessel_display = get_vessel_display_info(vessel)
|
||||
|
||||
# 🔧 关键修复：确保vessel_resource是完整的Resource对象
|
||||
if isinstance(vessel, dict):
|
||||
vessel_resource = vessel # 已经是完整的Resource字典
|
||||
debug_print(f"✅ 使用传入的vessel Resource对象")
|
||||
else:
|
||||
# 如果只是字符串，构建一个基本的Resource对象
|
||||
vessel_resource = {
|
||||
"id": vessel,
|
||||
"name": "",
|
||||
"category": "",
|
||||
"children": [],
|
||||
"config": "",
|
||||
"data": "",
|
||||
"parent": "",
|
||||
"pose": {
|
||||
"orientation": {"w": 1.0, "x": 0.0, "y": 0.0, "z": 0.0},
|
||||
"position": {"x": 0.0, "y": 0.0, "z": 0.0}
|
||||
},
|
||||
"sample_id": "",
|
||||
"type": ""
|
||||
}
|
||||
debug_print(f"🔧 构建了基本的vessel Resource对象: {vessel}")
|
||||
|
||||
debug_print("🌪️" * 20)
|
||||
debug_print("🚀 开始生成搅拌协议（支持vessel字典）✨")
|
||||
debug_print(f"📝 输入参数:")
|
||||
debug_print(f" 🥽 vessel: {vessel_display} (ID: {vessel_id})")
|
||||
debug_print(f" ⏰ time: {time}")
|
||||
debug_print(f" 🕐 stir_time: {stir_time}")
|
||||
debug_print(f" 🎯 time_spec: {time_spec}")
|
||||
debug_print(f" 🌪️ stir_speed: {stir_speed} RPM")
|
||||
debug_print(f" ⏱️ settling_time: {settling_time}")
|
||||
debug_print("🌪️" * 20)
|
||||
|
||||
# 📋 参数验证
|
||||
debug_print("📍 步骤1: 参数验证... 🔧")
|
||||
if not vessel_id: # 🔧 使用 vessel_id
|
||||
debug_print("❌ vessel 参数不能为空! 😱")
|
||||
raise ValueError("vessel 参数不能为空")
|
||||
|
||||
if vessel_id not in G.nodes(): # 🔧 使用 vessel_id
|
||||
debug_print(f"❌ 容器 '{vessel_id}' 不存在于系统中! 😞")
|
||||
raise ValueError(f"容器 '{vessel_id}' 不存在于系统中")
|
||||
|
||||
debug_print("✅ 基础参数验证通过 🎯")
|
||||
|
||||
# 🔄 参数解析
|
||||
debug_print("📍 步骤2: 参数解析... ⚡")
|
||||
|
||||
# 确定实际时间（优先级：time_spec > stir_time > time）
|
||||
if time_spec:
|
||||
parsed_time = parse_time_input(time_spec)
|
||||
debug_print(f"🎯 使用time_spec: '{time_spec}' → {parsed_time}s")
|
||||
elif stir_time not in ["0", 0, 0.0]:
|
||||
parsed_time = parse_time_input(stir_time)
|
||||
debug_print(f"🎯 使用stir_time: {stir_time} → {parsed_time}s")
|
||||
else:
|
||||
parsed_time = parse_time_input(time)
|
||||
debug_print(f"🎯 使用time: {time} → {parsed_time}s")
|
||||
|
||||
# 解析沉降时间
|
||||
parsed_settling_time = parse_time_input(settling_time)
|
||||
|
||||
# 🕐 模拟运行时间优化
|
||||
debug_print(" ⏱️ 检查模拟运行时间限制...")
|
||||
original_stir_time = parsed_time
|
||||
original_settling_time = parsed_settling_time
|
||||
|
||||
# 搅拌时间限制为60秒
|
||||
stir_time_limit = 60.0
|
||||
if parsed_time > stir_time_limit:
|
||||
parsed_time = stir_time_limit
|
||||
debug_print(f" 🎮 搅拌时间优化: {original_stir_time}s → {parsed_time}s ⚡")
|
||||
|
||||
# 沉降时间限制为30秒
|
||||
settling_time_limit = 30.0
|
||||
if parsed_settling_time > settling_time_limit:
|
||||
parsed_settling_time = settling_time_limit
|
||||
debug_print(f" 🎮 沉降时间优化: {original_settling_time}s → {parsed_settling_time}s ⚡")
|
||||
|
||||
# 参数修正
|
||||
parsed_time, stir_speed, parsed_settling_time = validate_and_fix_params(
|
||||
parsed_time, stir_speed, parsed_settling_time
|
||||
)
|
||||
|
||||
debug_print(f"🎯 最终参数: time={parsed_time}s, speed={stir_speed}RPM, settling={parsed_settling_time}s")
|
||||
|
||||
# 🔍 查找设备
|
||||
debug_print("📍 步骤3: 查找搅拌设备... 🔍")
|
||||
try:
|
||||
stirrer_id = find_connected_stirrer(G, vessel_id) # 🔧 使用 vessel_id
|
||||
debug_print(f"🎉 使用搅拌设备: {stirrer_id} ✨")
|
||||
except Exception as e:
|
||||
debug_print(f"❌ 设备查找失败: {str(e)} 😭")
|
||||
raise ValueError(f"无法找到搅拌设备: {str(e)}")
|
||||
|
||||
# 🚀 生成动作
|
||||
debug_print("📍 步骤4: 生成搅拌动作... 🌪️")
|
||||
|
||||
action_sequence = []
|
||||
stir_action = {
|
||||
"device_id": stirrer_id,
|
||||
"action_name": "stir",
|
||||
"action_kwargs": {
|
||||
# 🔧 关键修复：传递vessel_id字符串，而不是完整的Resource对象
|
||||
"vessel": vessel_id, # 传递字符串ID，不是Resource对象
|
||||
"time": str(time),
|
||||
"event": event,
|
||||
"time_spec": time_spec,
|
||||
"stir_time": float(parsed_time),
|
||||
"stir_speed": float(stir_speed),
|
||||
"settling_time": float(parsed_settling_time)
|
||||
}
|
||||
}
|
||||
action_sequence.append(stir_action)
|
||||
debug_print("✅ 搅拌动作已添加 🌪️✨")
|
||||
|
||||
# 显示时间优化信息
|
||||
if original_stir_time != parsed_time or original_settling_time != parsed_settling_time:
|
||||
debug_print(f" 🎭 模拟优化说明:")
|
||||
debug_print(f" 搅拌时间: {original_stir_time/60:.1f}分钟 → {parsed_time/60:.1f}分钟")
|
||||
debug_print(f" 沉降时间: {original_settling_time/60:.1f}分钟 → {parsed_settling_time/60:.1f}分钟")
|
||||
|
||||
# 🎊 总结
|
||||
debug_print("🎊" * 20)
|
||||
debug_print(f"🎉 搅拌协议生成完成! ✨")
|
||||
debug_print(f"📊 总动作数: {len(action_sequence)} 个")
|
||||
debug_print(f"🥽 搅拌容器: {vessel_display}")
|
||||
debug_print(f"🌪️ 搅拌参数: {stir_speed} RPM, {parsed_time}s, 沉降 {parsed_settling_time}s")
|
||||
debug_print(f"⏱️ 预计总时间: {(parsed_time + parsed_settling_time)/60:.1f} 分钟 ⌛")
|
||||
debug_print("🎊" * 20)
|
||||
|
||||
return action_sequence
|
||||
|
||||
def generate_start_stir_protocol(
|
||||
G: nx.DiGraph,
|
||||
vessel: Union[str, dict],
|
||||
stir_speed: float = 300.0,
|
||||
purpose: str = "",
|
||||
**kwargs
|
||||
) -> List[Dict[str, Any]]:
|
||||
"""生成开始搅拌操作的协议序列 - 修复vessel参数传递"""
|
||||
|
||||
# 🔧 核心修改：正确处理vessel参数
|
||||
vessel_id = extract_vessel_id(vessel)
|
||||
vessel_display = get_vessel_display_info(vessel)
|
||||
|
||||
# 🔧 关键修复：确保vessel_resource是完整的Resource对象
|
||||
if isinstance(vessel, dict):
|
||||
vessel_resource = vessel # 已经是完整的Resource字典
|
||||
debug_print(f"✅ 使用传入的vessel Resource对象")
|
||||
else:
|
||||
# 如果只是字符串，构建一个基本的Resource对象
|
||||
vessel_resource = {
|
||||
"id": vessel,
|
||||
"name": "",
|
||||
"category": "",
|
||||
"children": [],
|
||||
"config": "",
|
||||
"data": "",
|
||||
"parent": "",
|
||||
"pose": {
|
||||
"orientation": {"w": 1.0, "x": 0.0, "y": 0.0, "z": 0.0},
|
||||
"position": {"x": 0.0, "y": 0.0, "z": 0.0}
|
||||
},
|
||||
"sample_id": "",
|
||||
"type": ""
|
||||
}
|
||||
debug_print(f"🔧 构建了基本的vessel Resource对象: {vessel}")
|
||||
|
||||
debug_print("🔄 开始生成启动搅拌协议（修复vessel参数）✨")
|
||||
debug_print(f"🥽 vessel: {vessel_display} (ID: {vessel_id})")
|
||||
debug_print(f"🌪️ speed: {stir_speed} RPM")
|
||||
debug_print(f"🎯 purpose: {purpose}")
|
||||
|
||||
# 基础验证
|
||||
if not vessel_id or vessel_id not in G.nodes():
|
||||
debug_print("❌ 容器验证失败!")
|
||||
raise ValueError("vessel 参数无效")
|
||||
|
||||
# 参数修正
|
||||
if stir_speed < 10.0 or stir_speed > 1500.0:
|
||||
debug_print(f"⚠️ 搅拌速度修正: {stir_speed} → 300 RPM 🌪️")
|
||||
stir_speed = 300.0
|
||||
|
||||
# 查找设备
|
||||
stirrer_id = find_connected_stirrer(G, vessel_id)
|
||||
|
||||
# 🔧 关键修复：传递vessel_id字符串
|
||||
action_sequence = [{
|
||||
"device_id": stirrer_id,
|
||||
"action_name": "start_stir",
|
||||
"action_kwargs": {
|
||||
# 🔧 关键修复：传递vessel_id字符串，而不是完整的Resource对象
|
||||
"vessel": vessel_id, # 传递字符串ID，不是Resource对象
|
||||
"stir_speed": stir_speed,
|
||||
"purpose": purpose or f"启动搅拌 {stir_speed} RPM"
|
||||
}
|
||||
}]
|
||||
|
||||
debug_print(f"✅ 启动搅拌协议生成完成 🎯")
|
||||
return action_sequence
|
||||
|
||||
def generate_stop_stir_protocol(
|
||||
G: nx.DiGraph,
|
||||
vessel: Union[str, dict],
|
||||
**kwargs
|
||||
) -> List[Dict[str, Any]]:
|
||||
"""生成停止搅拌操作的协议序列 - 修复vessel参数传递"""
|
||||
|
||||
# 🔧 核心修改：正确处理vessel参数
|
||||
vessel_id = extract_vessel_id(vessel)
|
||||
vessel_display = get_vessel_display_info(vessel)
|
||||
|
||||
# 🔧 关键修复：确保vessel_resource是完整的Resource对象
|
||||
if isinstance(vessel, dict):
|
||||
vessel_resource = vessel # 已经是完整的Resource字典
|
||||
debug_print(f"✅ 使用传入的vessel Resource对象")
|
||||
else:
|
||||
# 如果只是字符串，构建一个基本的Resource对象
|
||||
vessel_resource = {
|
||||
"id": vessel,
|
||||
"name": "",
|
||||
"category": "",
|
||||
"children": [],
|
||||
"config": "",
|
||||
"data": "",
|
||||
"parent": "",
|
||||
"pose": {
|
||||
"orientation": {"w": 1.0, "x": 0.0, "y": 0.0, "z": 0.0},
|
||||
"position": {"x": 0.0, "y": 0.0, "z": 0.0}
|
||||
},
|
||||
"sample_id": "",
|
||||
"type": ""
|
||||
}
|
||||
debug_print(f"🔧 构建了基本的vessel Resource对象: {vessel}")
|
||||
|
||||
debug_print("🛑 开始生成停止搅拌协议（修复vessel参数）✨")
|
||||
debug_print(f"🥽 vessel: {vessel_display} (ID: {vessel_id})")
|
||||
|
||||
# 基础验证
|
||||
if not vessel_id or vessel_id not in G.nodes():
|
||||
debug_print("❌ 容器验证失败!")
|
||||
raise ValueError("vessel 参数无效")
|
||||
|
||||
# 查找设备
|
||||
stirrer_id = find_connected_stirrer(G, vessel_id)
|
||||
|
||||
# 🔧 关键修复：传递vessel_id字符串
|
||||
action_sequence = [{
|
||||
"device_id": stirrer_id,
|
||||
"action_name": "stop_stir",
|
||||
"action_kwargs": {
|
||||
# 🔧 关键修复：传递vessel_id字符串，而不是完整的Resource对象
|
||||
"vessel": vessel_id # 传递字符串ID，不是Resource对象
|
||||
}
|
||||
}]
|
||||
|
||||
debug_print(f"✅ 停止搅拌协议生成完成 🎯")
|
||||
return action_sequence
|
||||
|
||||
# 🔧 新增：便捷函数
|
||||
def stir_briefly(G: nx.DiGraph, vessel: Union[str, dict],
|
||||
speed: float = 300.0) -> List[Dict[str, Any]]:
|
||||
"""短时间搅拌（30秒）"""
|
||||
vessel_display = get_vessel_display_info(vessel)
|
||||
debug_print(f"⚡ 短时间搅拌: {vessel_display} @ {speed}RPM (30s)")
|
||||
return generate_stir_protocol(G, vessel, time="30", stir_speed=speed)
|
||||
|
||||
def stir_slowly(G: nx.DiGraph, vessel: Union[str, dict],
|
||||
time: Union[str, float] = "10 min") -> List[Dict[str, Any]]:
|
||||
"""慢速搅拌"""
|
||||
vessel_display = get_vessel_display_info(vessel)
|
||||
debug_print(f"🐌 慢速搅拌: {vessel_display} @ 150RPM")
|
||||
return generate_stir_protocol(G, vessel, time=time, stir_speed=150.0)
|
||||
|
||||
def stir_vigorously(G: nx.DiGraph, vessel: Union[str, dict],
|
||||
time: Union[str, float] = "5 min") -> List[Dict[str, Any]]:
|
||||
"""剧烈搅拌"""
|
||||
vessel_display = get_vessel_display_info(vessel)
|
||||
debug_print(f"💨 剧烈搅拌: {vessel_display} @ 800RPM")
|
||||
return generate_stir_protocol(G, vessel, time=time, stir_speed=800.0)
|
||||
|
||||
def stir_for_reaction(G: nx.DiGraph, vessel: Union[str, dict],
|
||||
time: Union[str, float] = "1 h") -> List[Dict[str, Any]]:
|
||||
"""反应搅拌（标准速度，长时间）"""
|
||||
vessel_display = get_vessel_display_info(vessel)
|
||||
debug_print(f"🧪 反应搅拌: {vessel_display} @ 400RPM")
|
||||
return generate_stir_protocol(G, vessel, time=time, stir_speed=400.0)
|
||||
|
||||
def stir_for_dissolution(G: nx.DiGraph, vessel: Union[str, dict],
|
||||
time: Union[str, float] = "15 min") -> List[Dict[str, Any]]:
|
||||
"""溶解搅拌（中等速度）"""
|
||||
vessel_display = get_vessel_display_info(vessel)
|
||||
debug_print(f"💧 溶解搅拌: {vessel_display} @ 500RPM")
|
||||
return generate_stir_protocol(G, vessel, time=time, stir_speed=500.0)
|
||||
|
||||
def stir_gently(G: nx.DiGraph, vessel: Union[str, dict],
|
||||
time: Union[str, float] = "30 min") -> List[Dict[str, Any]]:
|
||||
"""温和搅拌"""
|
||||
vessel_display = get_vessel_display_info(vessel)
|
||||
debug_print(f"🍃 温和搅拌: {vessel_display} @ 200RPM")
|
||||
return generate_stir_protocol(G, vessel, time=time, stir_speed=200.0)
|
||||
|
||||
def stir_overnight(G: nx.DiGraph, vessel: Union[str, dict]) -> List[Dict[str, Any]]:
|
||||
"""过夜搅拌（模拟时缩短为2小时）"""
|
||||
vessel_display = get_vessel_display_info(vessel)
|
||||
debug_print(f"🌙 过夜搅拌（模拟2小时）: {vessel_display} @ 300RPM")
|
||||
return generate_stir_protocol(G, vessel, time="2 h", stir_speed=300.0)
|
||||
|
||||
def start_continuous_stirring(G: nx.DiGraph, vessel: Union[str, dict],
|
||||
speed: float = 300.0, purpose: str = "continuous stirring") -> List[Dict[str, Any]]:
|
||||
"""开始连续搅拌"""
|
||||
vessel_display = get_vessel_display_info(vessel)
|
||||
debug_print(f"🔄 开始连续搅拌: {vessel_display} @ {speed}RPM")
|
||||
return generate_start_stir_protocol(G, vessel, stir_speed=speed, purpose=purpose)
|
||||
|
||||
def stop_all_stirring(G: nx.DiGraph, vessel: Union[str, dict]) -> List[Dict[str, Any]]:
|
||||
"""停止所有搅拌"""
|
||||
vessel_display = get_vessel_display_info(vessel)
|
||||
debug_print(f"🛑 停止搅拌: {vessel_display}")
|
||||
return generate_stop_stir_protocol(G, vessel)
|
||||
|
||||
# 测试函数
|
||||
def test_stir_protocol():
|
||||
"""测试搅拌协议"""
|
||||
debug_print("🧪 === STIR PROTOCOL 测试 === ✨")
|
||||
|
||||
# 测试vessel参数处理
|
||||
debug_print("🔧 测试vessel参数处理...")
|
||||
|
||||
# 测试字典格式
|
||||
vessel_dict = {"id": "flask_1", "name": "反应瓶1"}
|
||||
vessel_id = extract_vessel_id(vessel_dict)
|
||||
vessel_display = get_vessel_display_info(vessel_dict)
|
||||
debug_print(f" 字典格式: {vessel_dict} → ID: {vessel_id}, 显示: {vessel_display}")
|
||||
|
||||
# 测试字符串格式
|
||||
vessel_str = "flask_2"
|
||||
vessel_id = extract_vessel_id(vessel_str)
|
||||
vessel_display = get_vessel_display_info(vessel_str)
|
||||
debug_print(f" 字符串格式: {vessel_str} → ID: {vessel_id}, 显示: {vessel_display}")
|
||||
|
||||
debug_print("✅ 测试完成 🎉")
|
||||
|
||||
if __name__ == "__main__":
|
||||
test_stir_protocol()
|
||||
79
unilabos/compile/transfer_protocol.py
Normal file
79
unilabos/compile/transfer_protocol.py
Normal file
@@ -0,0 +1,79 @@
|
||||
from typing import List, Dict, Any
|
||||
import networkx as nx
|
||||
|
||||
def generate_transfer_protocol(
|
||||
G: nx.DiGraph,
|
||||
from_vessel: str,
|
||||
to_vessel: str,
|
||||
volume: float,
|
||||
amount: str = "",
|
||||
time: float = 0,
|
||||
viscous: bool = False,
|
||||
rinsing_solvent: str = "",
|
||||
rinsing_volume: float = 0.0,
|
||||
rinsing_repeats: int = 0,
|
||||
solid: bool = False
|
||||
) -> List[Dict[str, Any]]:
|
||||
"""
|
||||
生成液体转移操作的协议序列
|
||||
|
||||
Args:
|
||||
G: 有向图，节点为设备和容器
|
||||
from_vessel: 源容器
|
||||
to_vessel: 目标容器
|
||||
volume: 转移体积 (mL)
|
||||
amount: 数量描述 (可选)
|
||||
time: 转移时间 (秒，可选)
|
||||
viscous: 是否为粘性液体
|
||||
rinsing_solvent: 冲洗溶剂 (可选)
|
||||
rinsing_volume: 冲洗体积 (mL，可选)
|
||||
rinsing_repeats: 冲洗重复次数
|
||||
solid: 是否涉及固体
|
||||
|
||||
Returns:
|
||||
List[Dict[str, Any]]: 转移操作的动作序列
|
||||
|
||||
Raises:
|
||||
ValueError: 当找不到合适的转移设备时抛出异常
|
||||
|
||||
Examples:
|
||||
transfer_protocol = generate_transfer_protocol(G, "flask_1", "reactor", 10.0)
|
||||
"""
|
||||
action_sequence = []
|
||||
|
||||
# 查找虚拟转移泵设备用于液体转移 - 修复：应该查找 virtual_transfer_pump
|
||||
pump_nodes = [node for node in G.nodes()
|
||||
if G.nodes[node].get('class') == 'virtual_transfer_pump']
|
||||
|
||||
if not pump_nodes:
|
||||
raise ValueError("没有找到可用的转移泵设备进行液体转移")
|
||||
|
||||
# 使用第一个可用的泵
|
||||
pump_id = pump_nodes[0]
|
||||
|
||||
# 验证容器是否存在
|
||||
if from_vessel not in G.nodes():
|
||||
raise ValueError(f"源容器 {from_vessel} 不存在于图中")
|
||||
|
||||
if to_vessel not in G.nodes():
|
||||
raise ValueError(f"目标容器 {to_vessel} 不存在于图中")
|
||||
|
||||
# 执行液体转移操作 - 参数完全匹配Transfer.action
|
||||
action_sequence.append({
|
||||
"device_id": pump_id,
|
||||
"action_name": "transfer",
|
||||
"action_kwargs": {
|
||||
"from_vessel": from_vessel,
|
||||
"to_vessel": to_vessel,
|
||||
"volume": volume,
|
||||
"amount": amount,
|
||||
"time": time,
|
||||
"viscous": viscous,
|
||||
"rinsing_solvent": rinsing_solvent,
|
||||
"rinsing_volume": rinsing_volume,
|
||||
"rinsing_repeats": rinsing_repeats,
|
||||
"solid": solid
|
||||
}
|
||||
})
|
||||
|
||||
return action_sequence
|
||||
206
unilabos/compile/utils/unit_parser.py
Normal file
206
unilabos/compile/utils/unit_parser.py
Normal file
@@ -0,0 +1,206 @@
|
||||
"""
|
||||
统一的单位解析工具模块
|
||||
支持时间、体积、质量等各种单位的解析
|
||||
"""
|
||||
|
||||
import re
|
||||
import logging
|
||||
from typing import Union
|
||||
|
||||
logger = logging.getLogger(__name__)
|
||||
|
||||
def debug_print(message, prefix="[UNIT_PARSER]"):
|
||||
"""调试输出"""
|
||||
print(f"{prefix} {message}", flush=True)
|
||||
logger.info(f"{prefix} {message}")
|
||||
|
||||
def parse_time_with_units(time_input: Union[str, float, int], default_unit: str = "s") -> float:
|
||||
"""
|
||||
解析带单位的时间输入
|
||||
|
||||
Args:
|
||||
time_input: 时间输入（如 "30 min", "1 h", "300", "?", 60.0）
|
||||
default_unit: 默认单位（默认为秒）
|
||||
|
||||
Returns:
|
||||
float: 时间（秒）
|
||||
"""
|
||||
if not time_input:
|
||||
return 0.0
|
||||
|
||||
# 处理数值输入
|
||||
if isinstance(time_input, (int, float)):
|
||||
result = float(time_input)
|
||||
debug_print(f"数值时间输入: {time_input} → {result}s（默认单位）")
|
||||
return result
|
||||
|
||||
# 处理字符串输入
|
||||
time_str = str(time_input).lower().strip()
|
||||
debug_print(f"解析时间字符串: '{time_str}'")
|
||||
|
||||
# 处理特殊值
|
||||
if time_str in ['?', 'unknown', 'tbd', 'to be determined']:
|
||||
default_time = 300.0 # 5分钟默认值
|
||||
debug_print(f"检测到未知时间，使用默认值: {default_time}s")
|
||||
return default_time
|
||||
|
||||
# 如果是纯数字，使用默认单位
|
||||
try:
|
||||
value = float(time_str)
|
||||
if default_unit == "s":
|
||||
result = value
|
||||
elif default_unit in ["min", "minute"]:
|
||||
result = value * 60.0
|
||||
elif default_unit in ["h", "hour"]:
|
||||
result = value * 3600.0
|
||||
else:
|
||||
result = value # 默认秒
|
||||
debug_print(f"纯数字输入: {time_str} → {result}s（单位: {default_unit}）")
|
||||
return result
|
||||
except ValueError:
|
||||
pass
|
||||
|
||||
# 使用正则表达式匹配数字和单位
|
||||
pattern = r'(\d+\.?\d*)\s*([a-z]*)'
|
||||
match = re.match(pattern, time_str)
|
||||
|
||||
if not match:
|
||||
debug_print(f"⚠️ 无法解析时间: '{time_str}'，使用默认值: 60s")
|
||||
return 60.0
|
||||
|
||||
value = float(match.group(1))
|
||||
unit = match.group(2) or default_unit
|
||||
|
||||
# 单位转换映射
|
||||
unit_multipliers = {
|
||||
# 秒
|
||||
's': 1.0,
|
||||
'sec': 1.0,
|
||||
'second': 1.0,
|
||||
'seconds': 1.0,
|
||||
|
||||
# 分钟
|
||||
'm': 60.0,
|
||||
'min': 60.0,
|
||||
'mins': 60.0,
|
||||
'minute': 60.0,
|
||||
'minutes': 60.0,
|
||||
|
||||
# 小时
|
||||
'h': 3600.0,
|
||||
'hr': 3600.0,
|
||||
'hrs': 3600.0,
|
||||
'hour': 3600.0,
|
||||
'hours': 3600.0,
|
||||
|
||||
# 天
|
||||
'd': 86400.0,
|
||||
'day': 86400.0,
|
||||
'days': 86400.0,
|
||||
}
|
||||
|
||||
multiplier = unit_multipliers.get(unit, 1.0)
|
||||
result = value * multiplier
|
||||
|
||||
debug_print(f"时间解析: '{time_str}' → {value} {unit} → {result}s")
|
||||
return result
|
||||
|
||||
def parse_volume_with_units(volume_input: Union[str, float, int], default_unit: str = "mL") -> float:
|
||||
"""
|
||||
解析带单位的体积输入
|
||||
|
||||
Args:
|
||||
volume_input: 体积输入（如 "100 mL", "2.5 L", "500", "?", 100.0）
|
||||
default_unit: 默认单位（默认为毫升）
|
||||
|
||||
Returns:
|
||||
float: 体积（毫升）
|
||||
"""
|
||||
if not volume_input:
|
||||
return 0.0
|
||||
|
||||
# 处理数值输入
|
||||
if isinstance(volume_input, (int, float)):
|
||||
result = float(volume_input)
|
||||
debug_print(f"数值体积输入: {volume_input} → {result}mL（默认单位）")
|
||||
return result
|
||||
|
||||
# 处理字符串输入
|
||||
volume_str = str(volume_input).lower().strip()
|
||||
debug_print(f"解析体积字符串: '{volume_str}'")
|
||||
|
||||
# 处理特殊值
|
||||
if volume_str in ['?', 'unknown', 'tbd', 'to be determined']:
|
||||
default_volume = 50.0 # 50mL默认值
|
||||
debug_print(f"检测到未知体积，使用默认值: {default_volume}mL")
|
||||
return default_volume
|
||||
|
||||
# 如果是纯数字，使用默认单位
|
||||
try:
|
||||
value = float(volume_str)
|
||||
if default_unit.lower() in ["ml", "milliliter"]:
|
||||
result = value
|
||||
elif default_unit.lower() in ["l", "liter"]:
|
||||
result = value * 1000.0
|
||||
elif default_unit.lower() in ["μl", "ul", "microliter"]:
|
||||
result = value / 1000.0
|
||||
else:
|
||||
result = value # 默认mL
|
||||
debug_print(f"纯数字输入: {volume_str} → {result}mL（单位: {default_unit}）")
|
||||
return result
|
||||
except ValueError:
|
||||
pass
|
||||
|
||||
# 移除空格并提取数字和单位
|
||||
volume_clean = re.sub(r'\s+', '', volume_str)
|
||||
|
||||
# 匹配数字和单位的正则表达式
|
||||
match = re.match(r'([0-9]*\.?[0-9]+)\s*(ml|l|μl|ul|microliter|milliliter|liter)?', volume_clean)
|
||||
|
||||
if not match:
|
||||
debug_print(f"⚠️ 无法解析体积: '{volume_str}'，使用默认值: 50mL")
|
||||
return 50.0
|
||||
|
||||
value = float(match.group(1))
|
||||
unit = match.group(2) or default_unit.lower()
|
||||
|
||||
# 转换为毫升
|
||||
if unit in ['l', 'liter']:
|
||||
volume = value * 1000.0 # L -> mL
|
||||
elif unit in ['μl', 'ul', 'microliter']:
|
||||
volume = value / 1000.0 # μL -> mL
|
||||
else: # ml, milliliter 或默认
|
||||
volume = value # 已经是mL
|
||||
|
||||
debug_print(f"体积解析: '{volume_str}' → {value} {unit} → {volume}mL")
|
||||
return volume
|
||||
|
||||
# 测试函数
|
||||
def test_unit_parser():
|
||||
"""测试单位解析功能"""
|
||||
print("=== 单位解析器测试 ===")
|
||||
|
||||
# 测试时间解析
|
||||
time_tests = [
|
||||
"30 min", "1 h", "300", "5.5 h", "?", 60.0, "2 hours", "30 s"
|
||||
]
|
||||
|
||||
print("\n时间解析测试:")
|
||||
for time_input in time_tests:
|
||||
result = parse_time_with_units(time_input)
|
||||
print(f" {time_input} → {result}s ({result/60:.1f}min)")
|
||||
|
||||
# 测试体积解析
|
||||
volume_tests = [
|
||||
"100 mL", "2.5 L", "500", "?", 100.0, "500 μL", "1 liter"
|
||||
]
|
||||
|
||||
print("\n体积解析测试:")
|
||||
for volume_input in volume_tests:
|
||||
result = parse_volume_with_units(volume_input)
|
||||
print(f" {volume_input} → {result}mL")
|
||||
|
||||
print("\n✅ 测试完成")
|
||||
|
||||
if __name__ == "__main__":
|
||||
test_unit_parser()
|
||||
Some files were not shown because too many files have changed in this diff Show More
Reference in New Issue
Block a user