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https://github.com/dptech-corp/Uni-Lab-OS.git
synced 2025-12-17 04:51:10 +00:00
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5 Commits
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69
.conda/recipe.yaml
Normal file
69
.conda/recipe.yaml
Normal file
@@ -0,0 +1,69 @@
|
||||
package:
|
||||
name: unilabos
|
||||
version: 0.10.1
|
||||
|
||||
build:
|
||||
noarch: python
|
||||
number: 0
|
||||
script:
|
||||
- python -m pip install paho-mqtt opentrons_shared_data
|
||||
- python -m pip install git+https://github.com/Xuwznln/pylabrobot.git
|
||||
|
||||
requirements:
|
||||
host:
|
||||
- python >=3.11
|
||||
- pip
|
||||
- setuptools
|
||||
run:
|
||||
- conda-forge::python =3.11.11
|
||||
- compilers
|
||||
- cmake
|
||||
- make
|
||||
- ninja
|
||||
- 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"
|
||||
23
.conda/recipe_new.yaml
Normal file
23
.conda/recipe_new.yaml
Normal file
@@ -0,0 +1,23 @@
|
||||
package:
|
||||
name: unilabos
|
||||
version: "0.10.1"
|
||||
|
||||
source:
|
||||
path: ../..
|
||||
|
||||
build:
|
||||
noarch: python
|
||||
script: |
|
||||
{{ PYTHON }} -m pip install . --no-deps --ignore-installed -vv
|
||||
# {{ PYTHON }} clean_build_dir.py
|
||||
|
||||
requirements:
|
||||
host:
|
||||
- python
|
||||
- pip
|
||||
run:
|
||||
- python
|
||||
|
||||
test:
|
||||
imports:
|
||||
- unilabos
|
||||
132
.github/workflows/multi-platform-build.yml
vendored
Normal file
132
.github/workflows/multi-platform-build.yml
vendored
Normal file
@@ -0,0 +1,132 @@
|
||||
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'
|
||||
|
||||
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 boa and build tools
|
||||
if: steps.should_build.outputs.should_build == 'true'
|
||||
run: |
|
||||
conda install -c conda-forge boa conda-build
|
||||
|
||||
- name: Show environment info
|
||||
if: steps.should_build.outputs.should_build == 'true'
|
||||
run: |
|
||||
conda info
|
||||
conda list | grep -E "(boa|conda-build)"
|
||||
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
|
||||
boa build -m ./recipes/conda_build_config.yaml -m ./recipes/macos_sdk_config.yaml ./recipes/ros-humble-unilabos-msgs
|
||||
else
|
||||
boa build -m ./recipes/conda_build_config.yaml ./recipes/ros-humble-unilabos-msgs
|
||||
fi
|
||||
|
||||
- name: List built packages
|
||||
if: steps.should_build.outputs.should_build == 'true'
|
||||
run: |
|
||||
echo "Built packages in conda-bld:"
|
||||
find $CONDA_PREFIX/conda-bld -name "*.tar.bz2" | head -10
|
||||
ls -la $CONDA_PREFIX/conda-bld/${{ matrix.platform }}/ || echo "${{ matrix.platform }} directory not found"
|
||||
ls -la $CONDA_PREFIX/conda-bld/noarch/ || echo "noarch directory not found"
|
||||
echo "CONDA_PREFIX: $CONDA_PREFIX"
|
||||
echo "Full path would be: $CONDA_PREFIX/conda-bld/**/*.tar.bz2"
|
||||
|
||||
- name: Prepare artifacts for upload
|
||||
if: steps.should_build.outputs.should_build == 'true'
|
||||
run: |
|
||||
mkdir -p ${{ runner.temp }}/conda-packages
|
||||
find $CONDA_PREFIX/conda-bld -name "*.tar.bz2" -exec cp {} ${{ runner.temp }}/conda-packages/ \;
|
||||
echo "Copied files to temp directory:"
|
||||
ls -la ${{ runner.temp }}/conda-packages/
|
||||
|
||||
- name: Upload conda package artifacts
|
||||
if: steps.should_build.outputs.should_build == 'true'
|
||||
uses: actions/upload-artifact@v4
|
||||
with:
|
||||
name: conda-package-${{ matrix.platform }}
|
||||
path: ${{ runner.temp }}/conda-packages
|
||||
if-no-files-found: warn
|
||||
retention-days: 30
|
||||
|
||||
- name: Create release assets (on tags)
|
||||
if: steps.should_build.outputs.should_build == 'true' && startsWith(github.ref, 'refs/tags/')
|
||||
run: |
|
||||
mkdir -p release-assets
|
||||
find $CONDA_PREFIX/conda-bld -name "*.tar.bz2" -exec cp {} release-assets/ \;
|
||||
|
||||
- name: Upload to release
|
||||
if: steps.should_build.outputs.should_build == 'true' && startsWith(github.ref, 'refs/tags/')
|
||||
uses: softprops/action-gh-release@v1
|
||||
with:
|
||||
files: release-assets/*
|
||||
draft: false
|
||||
prerelease: false
|
||||
12
.gitignore
vendored
12
.gitignore
vendored
@@ -1,3 +1,7 @@
|
||||
configs/
|
||||
temp/
|
||||
output/
|
||||
unilabos_data/
|
||||
## Python
|
||||
|
||||
# Byte-compiled / optimized / DLL files
|
||||
@@ -234,3 +238,11 @@ CATKIN_IGNORE
|
||||
|
||||
*.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
|
||||
|
||||
@@ -1,5 +1,5 @@
|
||||
recursive-include unilabos/registry *.yaml
|
||||
recursive-include unilabos/app/web *.html
|
||||
recursive-include unilabos/app/web *.css
|
||||
recursive-include unilabos/app/static *
|
||||
recursive-include unilabos/app/templates *
|
||||
recursive-include unilabos/device_mesh/devices *
|
||||
recursive-include unilabos/device_mesh/resources *
|
||||
|
||||
12
README.md
12
README.md
@@ -40,21 +40,11 @@ Uni-Lab-OS recommends using `mamba` for environment management. Choose the appro
|
||||
|
||||
```bash
|
||||
# Create new environment
|
||||
mamba env create -f unilabos-[YOUR_OS].yaml
|
||||
mamba activate unilab
|
||||
mamba create -n unilab unilab -c unilab -c robostack -c robostack-staging -c conda-forge
|
||||
|
||||
# Or update existing environment
|
||||
# Where `[YOUR_OS]` can be `win64`, `linux-64`, `osx-64`, or `osx-arm64`.
|
||||
conda env update --file unilabos-[YOUR_OS].yml -n environment_name
|
||||
|
||||
# Currently, you need to install the `unilabos_msgs` package
|
||||
# You can download the system-specific package from the Release page
|
||||
conda install ros-humble-unilabos-msgs-0.9.5-xxxxx.tar.bz2
|
||||
|
||||
# Install PyLabRobot and other prerequisites
|
||||
git clone https://github.com/PyLabRobot/pylabrobot plr_repo
|
||||
cd plr_repo
|
||||
pip install .[opentrons]
|
||||
```
|
||||
|
||||
2. Install Uni-Lab-OS:
|
||||
|
||||
12
README_zh.md
12
README_zh.md
@@ -40,21 +40,11 @@ Uni-Lab-OS 建议使用 `mamba` 管理环境。根据您的操作系统选择适
|
||||
|
||||
```bash
|
||||
# 创建新环境
|
||||
mamba env create -f unilabos-[YOUR_OS].yaml
|
||||
mamba activate unilab
|
||||
mamba create -n unilab unilab -c unilab -c robostack -c robostack-staging -c conda-forge
|
||||
|
||||
# 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-0.9.5-xxxxx.tar.bz2
|
||||
|
||||
# 安装PyLabRobot等前置
|
||||
git clone https://github.com/PyLabRobot/pylabrobot plr_repo
|
||||
cd plr_repo
|
||||
pip install .[opentrons]
|
||||
```
|
||||
|
||||
2. 安装 Uni-Lab-OS:
|
||||
|
||||
@@ -1,3 +1,6 @@
|
||||
channel_sources:
|
||||
- robostack,robostack-staging,conda-forge,defaults
|
||||
|
||||
gazebo:
|
||||
- '11'
|
||||
libpqxx:
|
||||
|
||||
@@ -1,6 +1,6 @@
|
||||
package:
|
||||
name: ros-humble-unilabos-msgs
|
||||
version: 0.9.5
|
||||
version: 0.10.1
|
||||
source:
|
||||
path: ../../unilabos_msgs
|
||||
folder: ros-humble-unilabos-msgs/src/work
|
||||
|
||||
@@ -1,6 +1,6 @@
|
||||
package:
|
||||
name: unilabos
|
||||
version: "0.9.5"
|
||||
version: "0.10.1"
|
||||
|
||||
source:
|
||||
path: ../..
|
||||
|
||||
3
setup.py
3
setup.py
@@ -4,7 +4,7 @@ package_name = 'unilabos'
|
||||
|
||||
setup(
|
||||
name=package_name,
|
||||
version='0.9.5',
|
||||
version='0.10.1',
|
||||
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"
|
||||
}
|
||||
}
|
||||
]
|
||||
}
|
||||
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
@@ -3,7 +3,9 @@
|
||||
{
|
||||
"id": "MockChiller1",
|
||||
"name": "模拟冷却器",
|
||||
"children": [],
|
||||
"children": [
|
||||
"MockContainerForChiller1"
|
||||
],
|
||||
"parent": null,
|
||||
"type": "device",
|
||||
"class": "mock_chiller",
|
||||
@@ -25,6 +27,22 @@
|
||||
"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",
|
||||
|
||||
@@ -4,58 +4,83 @@
|
||||
"id": "AddTestStation",
|
||||
"name": "添加试剂测试工作站",
|
||||
"children": [
|
||||
"pump_add",
|
||||
"flask_1",
|
||||
"flask_2",
|
||||
"flask_3",
|
||||
"flask_4",
|
||||
"reactor",
|
||||
"transfer_pump",
|
||||
"multiway_valve",
|
||||
"stirrer",
|
||||
"flask_air"
|
||||
"flask_reagent1",
|
||||
"flask_reagent2",
|
||||
"flask_reagent3",
|
||||
"flask_reagent4",
|
||||
"reactor",
|
||||
"flask_waste",
|
||||
"flask_rinsing",
|
||||
"flask_buffer"
|
||||
],
|
||||
"parent": null,
|
||||
"type": "device",
|
||||
"class": "workstation",
|
||||
"position": {
|
||||
"x": 620.6111111111111,
|
||||
"x": 620,
|
||||
"y": 171,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"protocol_type": ["AddProtocol", "PumpTransferProtocol", "CleanProtocol"]
|
||||
"protocol_type": ["AddProtocol", "TransferProtocol", "StartStirProtocol", "StopStirProtocol"]
|
||||
},
|
||||
"data": {}
|
||||
},
|
||||
{
|
||||
"id": "pump_add",
|
||||
"name": "pump_add",
|
||||
"id": "transfer_pump",
|
||||
"name": "注射器泵",
|
||||
"children": [],
|
||||
"parent": "AddTestStation",
|
||||
"type": "device",
|
||||
"class": "virtual_pump",
|
||||
"class": "virtual_transfer_pump",
|
||||
"position": {
|
||||
"x": 520.6111111111111,
|
||||
"x": 520,
|
||||
"y": 300,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"port": "VIRTUAL",
|
||||
"max_volume": 25.0
|
||||
"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": "stirrer",
|
||||
"name": "搅拌器",
|
||||
"children": [],
|
||||
"parent": "AddTestStation",
|
||||
"type": "device",
|
||||
"class": "virtual_stirrer",
|
||||
"position": {
|
||||
"x": 698.1111111111111,
|
||||
"y": 478,
|
||||
"x": 720,
|
||||
"y": 450,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
@@ -68,110 +93,115 @@
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "flask_1",
|
||||
"name": "通用试剂瓶1",
|
||||
"id": "flask_reagent1",
|
||||
"name": "试剂瓶1 (甲醇)",
|
||||
"children": [],
|
||||
"parent": "AddTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 100,
|
||||
"y": 428,
|
||||
"y": 400,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 2000.0
|
||||
"max_volume": 1000.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": []
|
||||
"liquid": [
|
||||
{
|
||||
"name": "甲醇",
|
||||
"volume": 800.0,
|
||||
"concentration": "99.9%"
|
||||
}
|
||||
]
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "flask_2",
|
||||
"name": "通用试剂瓶2",
|
||||
"id": "flask_reagent2",
|
||||
"name": "试剂瓶2 (乙醇)",
|
||||
"children": [],
|
||||
"parent": "AddTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 250,
|
||||
"y": 428,
|
||||
"x": 180,
|
||||
"y": 400,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 2000.0
|
||||
"max_volume": 1000.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": []
|
||||
"liquid": [
|
||||
{
|
||||
"name": "乙醇",
|
||||
"volume": 750.0,
|
||||
"concentration": "95%"
|
||||
}
|
||||
]
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "flask_3",
|
||||
"name": "通用试剂瓶3",
|
||||
"id": "flask_reagent3",
|
||||
"name": "试剂瓶3 (丙酮)",
|
||||
"children": [],
|
||||
"parent": "AddTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 400,
|
||||
"y": 428,
|
||||
"x": 260,
|
||||
"y": 400,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 2000.0
|
||||
"max_volume": 1000.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": []
|
||||
"liquid": [
|
||||
{
|
||||
"name": "丙酮",
|
||||
"volume": 900.0,
|
||||
"concentration": "99.5%"
|
||||
}
|
||||
]
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "flask_4",
|
||||
"name": "通用试剂瓶4",
|
||||
"id": "flask_reagent4",
|
||||
"name": "试剂瓶4 (二氯甲烷)",
|
||||
"children": [],
|
||||
"parent": "AddTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 550,
|
||||
"y": 428,
|
||||
"x": 340,
|
||||
"y": 400,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 2000.0
|
||||
"max_volume": 1000.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": []
|
||||
"liquid": [
|
||||
{
|
||||
"name": "二氯甲烷",
|
||||
"volume": 850.0,
|
||||
"concentration": "99.8%"
|
||||
}
|
||||
]
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "reactor",
|
||||
"name": "reactor",
|
||||
"name": "反应器",
|
||||
"children": [],
|
||||
"parent": "AddTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 698.1111111111111,
|
||||
"y": 428,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 5000.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": []
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "flask_air",
|
||||
"name": "flask_air",
|
||||
"children": [],
|
||||
"parent": "AddTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 800,
|
||||
"y": 300,
|
||||
"x": 720,
|
||||
"y": 400,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
@@ -180,70 +210,166 @@
|
||||
"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": "stirrer",
|
||||
"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": {
|
||||
"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": "flask_4",
|
||||
"type": "physical",
|
||||
"port": {
|
||||
"pump_add": "inlet",
|
||||
"flask_4": "top"
|
||||
}
|
||||
},
|
||||
{
|
||||
"source": "pump_add",
|
||||
"target": "reactor",
|
||||
"type": "physical",
|
||||
"port": {
|
||||
"pump_add": "outlet",
|
||||
"multiway_valve": "multiway-valve-port-5",
|
||||
"reactor": "top"
|
||||
}
|
||||
},
|
||||
{
|
||||
"source": "pump_add",
|
||||
"target": "flask_air",
|
||||
"source": "multiway_valve",
|
||||
"target": "flask_waste",
|
||||
"type": "physical",
|
||||
"port": {
|
||||
"pump_add": "inlet",
|
||||
"flask_air": "top"
|
||||
"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"
|
||||
}
|
||||
}
|
||||
]
|
||||
|
||||
@@ -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"
|
||||
}
|
||||
}
|
||||
]
|
||||
|
||||
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
@@ -1,32 +1,48 @@
|
||||
{
|
||||
"nodes": [
|
||||
|
||||
|
||||
{
|
||||
"id": "benyao",
|
||||
"name": "benyao",
|
||||
"children": [
|
||||
],
|
||||
"id": "arm_slider",
|
||||
"name": "arm_slider",
|
||||
"children": [],
|
||||
"parent": null,
|
||||
"type": "device",
|
||||
"class": "moveit.arm_slider",
|
||||
"position": {
|
||||
"x": 0,
|
||||
"y": 0,
|
||||
"z": 0
|
||||
"x": -500,
|
||||
"y": 1000,
|
||||
"z": -100
|
||||
},
|
||||
"config": {
|
||||
"moveit_type": "arm_slider",
|
||||
"joint_poses": {
|
||||
"arm": {
|
||||
"home": [0.0, 0.2, 0.0, 0.0, 0.0],
|
||||
"pick": [1.2, 0.0, 0.0, 0.0, 0.0]
|
||||
"hotel_1": [
|
||||
1.05,
|
||||
0.568,
|
||||
-1.0821,
|
||||
0.0,
|
||||
1.0821
|
||||
],
|
||||
"home": [
|
||||
0.865,
|
||||
0.09,
|
||||
0.8727,
|
||||
0.0,
|
||||
-0.8727
|
||||
]
|
||||
}
|
||||
},
|
||||
"device_config": {
|
||||
}
|
||||
"rotation": {
|
||||
"x": 0,
|
||||
"y": 0,
|
||||
"z": -1.5708,
|
||||
"type": "Rotation"
|
||||
},
|
||||
"device_config": {}
|
||||
},
|
||||
"data": {
|
||||
}
|
||||
"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"]
|
||||
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}")
|
||||
HostNode.get_instance().send_goal(req.device_id, action_name=action_name, action_kwargs=action_kwargs, goal_uuid=req.job_id, server_info=req.server_info)
|
||||
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
|
||||
@@ -10,7 +10,7 @@ from copy import deepcopy
|
||||
|
||||
import yaml
|
||||
|
||||
from unilabos.resources.graphio import tree_to_list
|
||||
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__))
|
||||
@@ -18,16 +18,41 @@ 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",
|
||||
@@ -36,6 +61,12 @@ 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"],
|
||||
@@ -58,6 +89,11 @@ 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,
|
||||
@@ -72,12 +108,12 @@ 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(
|
||||
@@ -86,33 +122,54 @@ 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",
|
||||
)
|
||||
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())
|
||||
|
||||
# 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")
|
||||
working_dir = os.path.abspath(os.path.join(os.getcwd(), "unilabos_data"))
|
||||
if 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"当前未指定config路径，非第一次使用请通过 --config 传入 local_config.py 文件路径", "info")
|
||||
print_status(f"您是否为第一次使用？并将当前文件路径 {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:
|
||||
load_config(config_path)
|
||||
os._exit(1)
|
||||
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 = args_dict.get("working_dir") or os.path.abspath(os.path.join(os.getcwd(), "unilabos_data"))
|
||||
if 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)
|
||||
print_status(f"当前工作目录为 {working_dir}", "info")
|
||||
# 加载配置文件
|
||||
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
|
||||
@@ -136,29 +193,30 @@ 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["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
|
||||
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())
|
||||
# )
|
||||
args_dict["resources_config"] = list(json.load(open(args_dict["resources"], encoding="utf-8")).values())
|
||||
if args_dict["graph"].endswith(".json"):
|
||||
graph, data = read_node_link_json(args_dict["graph"])
|
||||
else:
|
||||
graph, data = read_graphml(args_dict["graph"])
|
||||
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"]:
|
||||
@@ -185,17 +243,27 @@ 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()
|
||||
@@ -203,10 +271,16 @@ 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__":
|
||||
|
||||
@@ -56,6 +56,10 @@ 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)
|
||||
@@ -159,10 +163,10 @@ 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.debug(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, return_info: Optional[str] = None):
|
||||
if self.mqtt_disable:
|
||||
@@ -172,13 +176,14 @@ class MQTTClient:
|
||||
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:
|
||||
|
||||
80
unilabos/app/register.py
Normal file
80
unilabos/app/register.py
Normal file
@@ -0,0 +1,80 @@
|
||||
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 - 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()
|
||||
@@ -3,7 +3,7 @@ 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
|
||||
from typing import List, Dict, Any, Optional
|
||||
|
||||
import requests
|
||||
@@ -30,7 +30,28 @@ 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]], database_process_later:bool) -> 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
|
||||
|
||||
@@ -44,8 +65,10 @@ class HTTPClient:
|
||||
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]:
|
||||
@@ -63,7 +86,7 @@ class HTTPClient:
|
||||
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 +104,7 @@ 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
|
||||
|
||||
@@ -99,7 +122,7 @@ class HTTPClient:
|
||||
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 +150,56 @@ 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("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 "{}"
|
||||
|
||||
|
||||
@@ -8,7 +8,12 @@ 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
|
||||
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
|
||||
@@ -16,29 +21,39 @@ 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,
|
||||
AGVTransferProtocol: generate_agv_transfer_protocol,
|
||||
CentrifugeProtocol: generate_centrifuge_protocol,
|
||||
AddProtocol: generate_add_protocol,
|
||||
AGVTransferProtocol: generate_agv_transfer_protocol,
|
||||
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,
|
||||
StirProtocol: generate_stir_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,
|
||||
CleanVesselProtocol: generate_clean_vessel_protocol,
|
||||
DissolveProtocol: generate_dissolve_protocol,
|
||||
FilterThroughProtocol: generate_filter_through_protocol,
|
||||
RunColumnProtocol: generate_run_column_protocol,
|
||||
WashSolidProtocol: generate_wash_solid_protocol,
|
||||
}
|
||||
}
|
||||
@@ -1,74 +1,726 @@
|
||||
import networkx as nx
|
||||
from typing import List, Dict, Any
|
||||
|
||||
def generate_add_protocol(
|
||||
G: nx.DiGraph,
|
||||
vessel: str,
|
||||
reagent: str,
|
||||
volume: float,
|
||||
mass: float,
|
||||
amount: str,
|
||||
time: float,
|
||||
stir: bool,
|
||||
stir_speed: float,
|
||||
viscous: bool,
|
||||
purpose: str
|
||||
) -> List[Dict[str, Any]]:
|
||||
"""
|
||||
生成添加试剂的协议序列 - 严格按照 Add.action
|
||||
"""
|
||||
action_sequence = []
|
||||
|
||||
# 如果指定了体积，执行液体转移
|
||||
if volume > 0:
|
||||
# 查找可用的试剂瓶
|
||||
available_flasks = [node for node in G.nodes()
|
||||
if node.startswith('flask_')
|
||||
and G.nodes[node].get('type') == 'container']
|
||||
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', {})
|
||||
|
||||
if not available_flasks:
|
||||
raise ValueError("没有找到可用的试剂容器")
|
||||
# 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()
|
||||
|
||||
reagent_vessel = available_flasks[0]
|
||||
|
||||
# 查找泵设备
|
||||
pump_nodes = [node for node in G.nodes()
|
||||
if G.nodes[node].get('class') == 'virtual_pump']
|
||||
|
||||
if pump_nodes:
|
||||
pump_id = pump_nodes[0]
|
||||
action_sequence.append({
|
||||
"device_id": pump_id,
|
||||
"action_name": "transfer",
|
||||
"action_kwargs": {
|
||||
"from_vessel": reagent_vessel,
|
||||
"to_vessel": vessel,
|
||||
"volume": volume,
|
||||
"amount": amount,
|
||||
"time": time,
|
||||
"viscous": viscous,
|
||||
"rinsing_solvent": "",
|
||||
"rinsing_volume": 0.0,
|
||||
"rinsing_repeats": 0,
|
||||
"solid": False
|
||||
# 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
|
||||
}
|
||||
})
|
||||
|
||||
# 如果需要搅拌，使用 StartStir 而不是 Stir
|
||||
if stir:
|
||||
stirrer_nodes = [node for node in G.nodes()
|
||||
if G.nodes[node].get('class') == 'virtual_stirrer']
|
||||
|
||||
if stirrer_nodes:
|
||||
stirrer_id = stirrer_nodes[0]
|
||||
action_sequence.append({
|
||||
"device_id": stirrer_id,
|
||||
"action_name": "start_stir", # 使用 start_stir 而不是 stir
|
||||
"action_kwargs": {
|
||||
"vessel": vessel,
|
||||
"stir_speed": stir_speed,
|
||||
"purpose": f"添加 {reagent} 后搅拌"
|
||||
}
|
||||
})
|
||||
|
||||
return action_sequence
|
||||
|
||||
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()
|
||||
@@ -1,5 +1,59 @@
|
||||
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,
|
||||
@@ -9,115 +63,223 @@ def generate_centrifuge_protocol(
|
||||
temp: float = 25.0
|
||||
) -> List[Dict[str, Any]]:
|
||||
"""
|
||||
生成离心操作的协议序列
|
||||
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
|
||||
vessel: 离心容器名称
|
||||
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: 温度 (摄氏度，可选)
|
||||
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: 当找不到离心机设备时抛出异常
|
||||
ValueError: 当找不到必要的设备时抛出异常
|
||||
|
||||
Examples:
|
||||
centrifuge_protocol = generate_centrifuge_protocol(G, "reactor", 5000, 300, 4.0)
|
||||
centrifuge_actions = generate_centrifuge_protocol(G, "reaction_mixture", 5000, 600, 4.0)
|
||||
"""
|
||||
action_sequence = []
|
||||
|
||||
# 查找离心机设备
|
||||
centrifuge_nodes = [node for node in G.nodes()
|
||||
if G.nodes[node].get('class') == 'virtual_centrifuge']
|
||||
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")
|
||||
|
||||
if not centrifuge_nodes:
|
||||
raise ValueError("没有找到可用的离心机设备")
|
||||
|
||||
# 使用第一个可用的离心机
|
||||
centrifuge_id = centrifuge_nodes[0]
|
||||
|
||||
# 验证容器是否存在
|
||||
# 验证源容器存在
|
||||
if vessel not in G.nodes():
|
||||
raise ValueError(f"容器 {vessel} 不存在于图中")
|
||||
raise ValueError(f"源容器 '{vessel}' 不存在于系统中")
|
||||
|
||||
# 执行离心操作
|
||||
action_sequence.append({
|
||||
# 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": vessel,
|
||||
"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
|
||||
|
||||
|
||||
def generate_multi_step_centrifuge_protocol(
|
||||
# 便捷函数：常用离心方案
|
||||
def generate_low_speed_centrifuge_protocol(
|
||||
G: nx.DiGraph,
|
||||
vessel: str,
|
||||
steps: List[Dict[str, Any]]
|
||||
time: float = 300.0 # 5分钟
|
||||
) -> List[Dict[str, Any]]:
|
||||
"""
|
||||
生成多步骤离心操作的协议序列
|
||||
|
||||
Args:
|
||||
G: 有向图，节点为设备和容器
|
||||
vessel: 离心容器名称
|
||||
steps: 离心步骤列表，每个步骤包含 speed, time, temp 参数
|
||||
|
||||
Returns:
|
||||
List[Dict[str, Any]]: 多步骤离心操作的动作序列
|
||||
|
||||
Examples:
|
||||
steps = [
|
||||
{"speed": 1000, "time": 60, "temp": 4.0}, # 低速预离心
|
||||
{"speed": 12000, "time": 600, "temp": 4.0} # 高速离心
|
||||
]
|
||||
protocol = generate_multi_step_centrifuge_protocol(G, "reactor", steps)
|
||||
"""
|
||||
action_sequence = []
|
||||
|
||||
# 查找离心机设备
|
||||
centrifuge_nodes = [node for node in G.nodes()
|
||||
if G.nodes[node].get('class') == 'virtual_centrifuge']
|
||||
|
||||
if not centrifuge_nodes:
|
||||
raise ValueError("没有找到可用的离心机设备")
|
||||
|
||||
centrifuge_id = centrifuge_nodes[0]
|
||||
|
||||
# 验证容器是否存在
|
||||
if vessel not in G.nodes():
|
||||
raise ValueError(f"容器 {vessel} 不存在于图中")
|
||||
|
||||
# 执行每个离心步骤
|
||||
for i, step in enumerate(steps):
|
||||
speed = step.get('speed', 5000)
|
||||
time = step.get('time', 300)
|
||||
temp = step.get('temp', 25.0)
|
||||
|
||||
action_sequence.append({
|
||||
"device_id": centrifuge_id,
|
||||
"action_name": "centrifuge",
|
||||
"action_kwargs": {
|
||||
"vessel": vessel,
|
||||
"speed": speed,
|
||||
"time": time,
|
||||
"temp": temp
|
||||
}
|
||||
})
|
||||
|
||||
# 步骤间等待时间（除了最后一步）
|
||||
if i < len(steps) - 1:
|
||||
action_sequence.append({
|
||||
"action_name": "wait",
|
||||
"action_kwargs": {"time": 3}
|
||||
})
|
||||
|
||||
return action_sequence
|
||||
"""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)
|
||||
@@ -1,22 +1,173 @@
|
||||
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: str,
|
||||
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，使用transfer操作实现清洗
|
||||
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
|
||||
vessel: 要清洗的容器名称
|
||||
solvent: 用于清洗容器的溶剂名称
|
||||
volume: 清洗溶剂的体积
|
||||
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
|
||||
|
||||
@@ -24,103 +175,376 @@ def generate_clean_vessel_protocol(
|
||||
List[Dict[str, Any]]: 容器清洗操作的动作序列
|
||||
|
||||
Raises:
|
||||
ValueError: 当找不到必要的设备时抛出异常
|
||||
ValueError: 当找不到必要的容器或设备时抛出异常
|
||||
|
||||
Examples:
|
||||
clean_vessel_protocol = generate_clean_vessel_protocol(G, "reactor", "water", 50.0, 25.0, 2)
|
||||
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 = []
|
||||
|
||||
# 查找虚拟转移泵设备进行清洗操作
|
||||
pump_nodes = [node for node in G.nodes()
|
||||
if G.nodes[node].get('class') == 'virtual_transfer_pump']
|
||||
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}")
|
||||
|
||||
if not pump_nodes:
|
||||
raise ValueError("没有找到可用的转移泵设备进行容器清洗")
|
||||
|
||||
pump_id = pump_nodes[0]
|
||||
|
||||
# 验证容器是否存在
|
||||
if vessel not in G.nodes():
|
||||
raise ValueError(f"容器 {vessel} 不存在于图中")
|
||||
# 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
|
||||
solvent_vessel = f"flask_{solvent}"
|
||||
if solvent_vessel not in G.nodes():
|
||||
raise ValueError(f"溶剂容器 {solvent_vessel} 不存在于图中")
|
||||
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
|
||||
waste_vessel = "flask_waste"
|
||||
if waste_vessel not in G.nodes():
|
||||
raise ValueError(f"废液容器 {waste_vessel} 不存在于图中")
|
||||
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（如果需要加热）
|
||||
heatchill_nodes = [node for node in G.nodes()
|
||||
if G.nodes[node].get('class') == 'virtual_heatchill']
|
||||
# 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")
|
||||
|
||||
heatchill_id = heatchill_nodes[0] if heatchill_nodes else None
|
||||
# 🔧 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")
|
||||
|
||||
# 执行清洗操作序列
|
||||
# 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):
|
||||
# 1. 如果需要加热，先设置温度
|
||||
if temp > 25.0 and heatchill_id:
|
||||
action_sequence.append({
|
||||
"device_id": heatchill_id,
|
||||
"action_name": "heat_chill_start",
|
||||
"action_kwargs": {
|
||||
"vessel": vessel,
|
||||
"temp": temp,
|
||||
"purpose": "cleaning"
|
||||
}
|
||||
})
|
||||
print(f"CLEAN_VESSEL: 执行第 {repeat + 1} 次清洗")
|
||||
|
||||
# 2. 使用transfer操作：从溶剂容器转移清洗溶剂到目标容器
|
||||
action_sequence.append({
|
||||
"device_id": pump_id,
|
||||
"action_name": "transfer",
|
||||
"action_kwargs": {
|
||||
"from_vessel": solvent_vessel,
|
||||
"to_vessel": vessel,
|
||||
"volume": volume,
|
||||
"amount": f"cleaning with {solvent} - cycle {repeat + 1}",
|
||||
"time": 0.0,
|
||||
"viscous": False,
|
||||
"rinsing_solvent": "",
|
||||
"rinsing_volume": 0.0,
|
||||
"rinsing_repeats": 0,
|
||||
"solid": False
|
||||
# 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}
|
||||
}
|
||||
})
|
||||
|
||||
# 3. 等待清洗作用时间（可选，可以添加wait操作）
|
||||
# 这里省略wait操作，直接进行下一步
|
||||
|
||||
# 4. 将清洗后的溶剂转移到废液容器
|
||||
action_sequence.append({
|
||||
"device_id": pump_id,
|
||||
"action_name": "transfer",
|
||||
"action_kwargs": {
|
||||
"from_vessel": vessel,
|
||||
"to_vessel": waste_vessel,
|
||||
"volume": volume,
|
||||
"amount": f"waste from cleaning {vessel} - cycle {repeat + 1}",
|
||||
"time": 0.0,
|
||||
"viscous": False,
|
||||
"rinsing_solvent": "",
|
||||
"rinsing_volume": 0.0,
|
||||
"rinsing_repeats": 0,
|
||||
"solid": False
|
||||
}
|
||||
})
|
||||
|
||||
# 5. 如果加热了，停止加热
|
||||
if temp > 25.0 and heatchill_id:
|
||||
action_sequence.append({
|
||||
"device_id": heatchill_id,
|
||||
"action_name": "heat_chill_stop",
|
||||
"action_kwargs": {
|
||||
"vessel": vessel
|
||||
}
|
||||
})
|
||||
action_sequence.append(wait_action)
|
||||
|
||||
return action_sequence
|
||||
# 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
|
||||
File diff suppressed because it is too large
Load Diff
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": {
|
||||
"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}})
|
||||
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": {
|
||||
"string": "OFF"
|
||||
}
|
||||
},
|
||||
{
|
||||
"device_id": vacuum_backbone["gas"],
|
||||
"action_name": "set_status",
|
||||
"action_kwargs": {
|
||||
"string": "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": {
|
||||
"string": "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
|
||||
|
||||
@@ -1,70 +1,375 @@
|
||||
from typing import List, Dict, Any
|
||||
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: str,
|
||||
vessel: dict, # 🔧 修改：从字符串改为字典类型
|
||||
filtrate_vessel: str = "",
|
||||
stir: bool = False,
|
||||
stir_speed: float = 300.0,
|
||||
temp: float = 25.0,
|
||||
continue_heatchill: bool = False,
|
||||
volume: float = 0.0
|
||||
**kwargs
|
||||
) -> List[Dict[str, Any]]:
|
||||
"""
|
||||
生成过滤操作的协议序列
|
||||
生成过滤操作的协议序列 - 支持体积运算
|
||||
|
||||
Args:
|
||||
G: 有向图，节点为设备和容器
|
||||
vessel: 过滤容器
|
||||
filtrate_vessel: 滤液容器（可选）
|
||||
stir: 是否搅拌
|
||||
stir_speed: 搅拌速度（可选）
|
||||
temp: 温度（可选，摄氏度）
|
||||
continue_heatchill: 是否继续加热冷却
|
||||
volume: 过滤体积（可选）
|
||||
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
|
||||
|
||||
Raises:
|
||||
ValueError: 当找不到过滤设备时抛出异常
|
||||
|
||||
Examples:
|
||||
filter_protocol = generate_filter_protocol(G, "reactor", "filtrate_vessel", stir=True, volume=100.0)
|
||||
"""
|
||||
|
||||
# 🔧 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 = []
|
||||
|
||||
# 查找过滤设备
|
||||
filter_nodes = [node for node in G.nodes()
|
||||
if G.nodes[node].get('class') == 'virtual_filter']
|
||||
# 🔧 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")
|
||||
|
||||
if not filter_nodes:
|
||||
raise ValueError("没有找到可用的过滤设备")
|
||||
# === 参数验证 ===
|
||||
debug_print("📍 步骤1: 参数验证... 🔧")
|
||||
|
||||
# 使用第一个可用的过滤器
|
||||
filter_id = filter_nodes[0]
|
||||
# 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 🎯")
|
||||
|
||||
# 验证容器是否存在
|
||||
if vessel not in G.nodes():
|
||||
raise ValueError(f"过滤容器 {vessel} 不存在于图中")
|
||||
# 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 🎯")
|
||||
|
||||
if filtrate_vessel and filtrate_vessel not in G.nodes():
|
||||
raise ValueError(f"滤液容器 {filtrate_vessel} 不存在于图中")
|
||||
# === 查找设备 ===
|
||||
debug_print("📍 步骤2: 查找设备... 🔍")
|
||||
|
||||
# 执行过滤操作
|
||||
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({
|
||||
"device_id": filter_id,
|
||||
"action_name": "filter_sample",
|
||||
"action_kwargs": {
|
||||
"vessel": vessel,
|
||||
"filtrate_vessel": filtrate_vessel,
|
||||
"stir": stir,
|
||||
"stir_speed": stir_speed,
|
||||
"temp": temp,
|
||||
"continue_heatchill": continue_heatchill,
|
||||
"volume": volume
|
||||
}
|
||||
"action_name": "wait",
|
||||
"action_kwargs": {"time": 10.0}
|
||||
})
|
||||
debug_print(" ✅ 过滤后等待动作已添加 ⏰✨")
|
||||
|
||||
return action_sequence
|
||||
# === 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
|
||||
|
||||
|
||||
@@ -1,5 +1,72 @@
|
||||
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,
|
||||
@@ -12,10 +79,15 @@ def generate_filter_through_protocol(
|
||||
residence_time: float = 0.0
|
||||
) -> List[Dict[str, Any]]:
|
||||
"""
|
||||
生成通过过滤介质过滤的协议序列
|
||||
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
|
||||
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
|
||||
@@ -28,123 +100,288 @@ def generate_filter_through_protocol(
|
||||
List[Dict[str, Any]]: 过滤操作的动作序列
|
||||
|
||||
Raises:
|
||||
ValueError: 当找不到必要的设备时抛出异常
|
||||
ValueError: 当找不到必要的设备或容器时
|
||||
|
||||
Examples:
|
||||
filter_through_protocol = generate_filter_through_protocol(
|
||||
G, "reactor", "collection_flask", "celite", "ethanol", 50.0, 2, 60.0
|
||||
filter_through_actions = generate_filter_through_protocol(
|
||||
G, "reaction_mixture", "collection_bottle_1", "celite", "ethanol", 20.0, 2, 30.0
|
||||
)
|
||||
"""
|
||||
action_sequence = []
|
||||
|
||||
# 验证容器是否存在
|
||||
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} 不存在于图中")
|
||||
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} 不存在于图中")
|
||||
raise ValueError(f"目标容器 '{to_vessel}' 不存在于系统中")
|
||||
|
||||
# 查找转移泵设备（用于液体转移）
|
||||
pump_nodes = [node for node in G.nodes()
|
||||
if G.nodes[node].get('class') == 'virtual_transfer_pump']
|
||||
# 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")
|
||||
|
||||
if not pump_nodes:
|
||||
raise ValueError("没有找到可用的转移泵设备")
|
||||
# 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)}")
|
||||
|
||||
pump_id = pump_nodes[0]
|
||||
# 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)}")
|
||||
|
||||
# 查找过滤设备（可选，如果有专门的过滤设备）
|
||||
filter_nodes = [node for node in G.nodes()
|
||||
if G.nodes[node].get('class') == 'virtual_filter']
|
||||
# === 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}")
|
||||
|
||||
filter_id = filter_nodes[0] if filter_nodes else None
|
||||
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)}")
|
||||
|
||||
# 查找洗脱溶剂容器（如果需要洗脱）
|
||||
eluting_vessel = None
|
||||
if eluting_solvent and eluting_volume > 0:
|
||||
eluting_vessel = f"flask_{eluting_solvent}"
|
||||
if eluting_vessel not in G.nodes():
|
||||
# 查找可用的溶剂容器
|
||||
available_vessels = [node for node in G.nodes()
|
||||
if node.startswith('flask_') and
|
||||
G.nodes[node].get('type') == 'container']
|
||||
if available_vessels:
|
||||
eluting_vessel = available_vessels[0]
|
||||
else:
|
||||
raise ValueError(f"没有找到洗脱溶剂容器 {eluting_solvent}")
|
||||
|
||||
# 步骤1：将样品从源容器转移到过滤装置（模拟通过过滤介质）
|
||||
# 这里我们将过滤过程分解为多个转移步骤来模拟通过介质的过程
|
||||
|
||||
# 首先转移样品（模拟样品通过过滤介质）
|
||||
action_sequence.append({
|
||||
"device_id": pump_id,
|
||||
"action_name": "transfer",
|
||||
"action_kwargs": {
|
||||
"from_vessel": from_vessel,
|
||||
"to_vessel": to_vessel,
|
||||
"volume": 0.0, # 转移所有液体，体积由系统确定
|
||||
"amount": f"通过 {filter_through} 过滤",
|
||||
"time": residence_time if residence_time > 0 else 0.0,
|
||||
"viscous": False,
|
||||
"rinsing_solvent": "",
|
||||
"rinsing_volume": 0.0,
|
||||
"rinsing_repeats": 0,
|
||||
"solid": True # 通过过滤介质可能涉及固体分离
|
||||
}
|
||||
})
|
||||
|
||||
# 步骤2：如果有专门的过滤设备，使用过滤设备处理
|
||||
if filter_id:
|
||||
# === 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({
|
||||
"device_id": filter_id,
|
||||
"action_name": "filter_sample",
|
||||
"action_kwargs": {
|
||||
"vessel": to_vessel,
|
||||
"filtrate_vessel": to_vessel,
|
||||
"stir": False,
|
||||
"stir_speed": 0.0,
|
||||
"temp": 25.0,
|
||||
"continue_heatchill": False,
|
||||
"volume": 0.0
|
||||
}
|
||||
"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}
|
||||
})
|
||||
|
||||
# 步骤3：洗脱操作（如果指定了洗脱溶剂和重复次数）
|
||||
# === 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:
|
||||
for repeat in range(eluting_repeats):
|
||||
# 添加洗脱溶剂
|
||||
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({
|
||||
"device_id": pump_id,
|
||||
"action_name": "transfer",
|
||||
"action_kwargs": {
|
||||
"from_vessel": eluting_vessel,
|
||||
"to_vessel": to_vessel,
|
||||
"volume": eluting_volume,
|
||||
"amount": f"洗脱溶剂 {eluting_solvent} - 第 {repeat + 1} 次",
|
||||
"time": 0.0,
|
||||
"viscous": False,
|
||||
"rinsing_solvent": "",
|
||||
"rinsing_volume": 0.0,
|
||||
"rinsing_repeats": 0,
|
||||
"solid": False
|
||||
}
|
||||
"action_name": "wait",
|
||||
"action_kwargs": {"time": eluting_wait_time}
|
||||
})
|
||||
|
||||
# 如果有过滤设备，再次过滤洗脱液
|
||||
if filter_id:
|
||||
# 洗脱间隔等待
|
||||
if repeat_idx < eluting_repeats - 1: # 不是最后一次洗脱
|
||||
action_sequence.append({
|
||||
"device_id": filter_id,
|
||||
"action_name": "filter_sample",
|
||||
"action_kwargs": {
|
||||
"vessel": to_vessel,
|
||||
"filtrate_vessel": to_vessel,
|
||||
"stir": False,
|
||||
"stir_speed": 0.0,
|
||||
"temp": 25.0,
|
||||
"continue_heatchill": False,
|
||||
"volume": eluting_volume
|
||||
}
|
||||
"action_name": "wait",
|
||||
"action_kwargs": {"time": 10}
|
||||
})
|
||||
|
||||
return action_sequence
|
||||
# === 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()
|
||||
@@ -1,117 +1,405 @@
|
||||
from typing import List, Dict, Any
|
||||
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: str,
|
||||
temp: float,
|
||||
time: float,
|
||||
stir: bool,
|
||||
stir_speed: float,
|
||||
purpose: str
|
||||
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 - 严格按照 HeatChill.action
|
||||
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 = []
|
||||
|
||||
# 查找加热/冷却设备
|
||||
heatchill_nodes = [node for node in G.nodes()
|
||||
if G.nodes[node].get('class') == 'virtual_heatchill']
|
||||
|
||||
if not heatchill_nodes:
|
||||
raise ValueError("没有找到可用的加热/冷却设备")
|
||||
|
||||
heatchill_id = heatchill_nodes[0]
|
||||
|
||||
if vessel not in G.nodes():
|
||||
raise ValueError(f"容器 {vessel} 不存在于图中")
|
||||
|
||||
action_sequence.append({
|
||||
heatchill_action = {
|
||||
"device_id": heatchill_id,
|
||||
"action_name": "heat_chill",
|
||||
"action_kwargs": {
|
||||
"vessel": vessel,
|
||||
"temp": temp,
|
||||
"time": time,
|
||||
"stir": stir,
|
||||
"stir_speed": stir_speed,
|
||||
"purpose": purpose
|
||||
"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: str,
|
||||
temp: float,
|
||||
purpose: str
|
||||
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/冷却操作的协议序列 - 严格按照 HeatChillStart.action
|
||||
"""
|
||||
action_sequence = []
|
||||
"""生成开始加热操作的协议序列"""
|
||||
|
||||
heatchill_nodes = [node for node in G.nodes()
|
||||
if G.nodes[node].get('class') == 'virtual_heatchill']
|
||||
# 🔧 核心修改：从字典中提取容器ID
|
||||
vessel_id = vessel["id"]
|
||||
|
||||
if not heatchill_nodes:
|
||||
raise ValueError("没有找到可用的加热/冷却设备")
|
||||
debug_print("🔥 开始生成启动加热协议 ✨")
|
||||
debug_print(f"🥽 vessel: {vessel} (ID: {vessel_id}), 🌡️ temp: {temp}°C")
|
||||
|
||||
heatchill_id = heatchill_nodes[0]
|
||||
# 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")
|
||||
|
||||
if vessel not in G.nodes():
|
||||
raise ValueError(f"容器 {vessel} 不存在于图中")
|
||||
# 查找设备
|
||||
heatchill_id = find_connected_heatchill(G, vessel_id) # 🔧 使用 vessel_id
|
||||
|
||||
action_sequence.append({
|
||||
# 生成动作
|
||||
action_sequence = [{
|
||||
"device_id": heatchill_id,
|
||||
"action_name": "heat_chill_start",
|
||||
"action_kwargs": {
|
||||
"vessel": vessel,
|
||||
"vessel": vessel_id, # 🔧 使用 vessel_id
|
||||
"temp": temp,
|
||||
"purpose": purpose
|
||||
"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: str
|
||||
vessel: dict, # 🔧 修改参数类型
|
||||
**kwargs
|
||||
) -> List[Dict[str, Any]]:
|
||||
"""
|
||||
生成停止加热/冷却操作的协议序列
|
||||
"""生成停止加热操作的协议序列"""
|
||||
|
||||
Args:
|
||||
G: 有向图，节点为设备和容器
|
||||
vessel: 容器名称
|
||||
# 🔧 核心修改：从字典中提取容器ID
|
||||
vessel_id = vessel["id"]
|
||||
|
||||
Returns:
|
||||
List[Dict[str, Any]]: 停止加热/冷却操作的动作序列
|
||||
"""
|
||||
action_sequence = []
|
||||
debug_print("🛑 开始生成停止加热协议 ✨")
|
||||
debug_print(f"🥽 vessel: {vessel} (ID: {vessel_id})")
|
||||
|
||||
# 查找加热/冷却设备
|
||||
heatchill_nodes = [node for node in G.nodes()
|
||||
if G.nodes[node].get('class') == 'virtual_heatchill']
|
||||
# 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")
|
||||
|
||||
if not heatchill_nodes:
|
||||
raise ValueError("没有找到可用的加热/冷却设备")
|
||||
# 查找设备
|
||||
heatchill_id = find_connected_heatchill(G, vessel_id) # 🔧 使用 vessel_id
|
||||
|
||||
heatchill_id = heatchill_nodes[0]
|
||||
|
||||
if vessel not in G.nodes():
|
||||
raise ValueError(f"容器 {vessel} 不存在于图中")
|
||||
|
||||
action_sequence.append({
|
||||
# 生成动作
|
||||
action_sequence = [{
|
||||
"device_id": heatchill_id,
|
||||
"action_name": "heat_chill_stop",
|
||||
"action_kwargs": {
|
||||
"vessel": vessel
|
||||
"vessel": vessel_id # 🔧 使用 vessel_id
|
||||
}
|
||||
})
|
||||
}]
|
||||
|
||||
return action_sequence
|
||||
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()
|
||||
@@ -1,102 +1,808 @@
|
||||
from typing import List, Dict, Any
|
||||
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: str,
|
||||
to_vessel: str,
|
||||
column: str
|
||||
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
|
||||
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
|
||||
from_vessel: 源容器的名称，即样品起始所在的容器
|
||||
to_vessel: 目标容器的名称，分离后的样品要到达的容器
|
||||
column: 所使用的柱子的名称
|
||||
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
|
||||
|
||||
Raises:
|
||||
ValueError: 当找不到必要的设备时抛出异常
|
||||
|
||||
Examples:
|
||||
run_column_protocol = generate_run_column_protocol(G, "reactor", "collection_flask", "silica_column")
|
||||
"""
|
||||
|
||||
# 🔧 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 = []
|
||||
|
||||
# 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")
|
||||
# 🔧 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)
|
||||
|
||||
if to_vessel not in G.nodes():
|
||||
raise ValueError(f"目标容器 {to_vessel} 不存在于图中")
|
||||
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")
|
||||
|
||||
# 查找转移泵设备（用于样品转移）
|
||||
pump_nodes = [node for node in G.nodes()
|
||||
if G.nodes[node].get('class') == 'virtual_transfer_pump']
|
||||
# === 参数验证 ===
|
||||
debug_print("📍 步骤1: 参数验证...")
|
||||
|
||||
if not pump_nodes:
|
||||
raise ValueError("没有找到可用的转移泵设备")
|
||||
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")
|
||||
|
||||
pump_id = pump_nodes[0]
|
||||
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_nodes = [node for node in G.nodes()
|
||||
if G.nodes[node].get('class') == 'virtual_column']
|
||||
column_device_id = find_column_device(G)
|
||||
|
||||
if not column_nodes:
|
||||
raise ValueError("没有找到可用的柱层析设备")
|
||||
# 查找柱容器
|
||||
column_vessel = find_column_vessel(G, column)
|
||||
|
||||
column_id = column_nodes[0]
|
||||
# 查找溶剂容器
|
||||
solvent1_vessel = find_solvent_vessel(G, final_solvent1)
|
||||
solvent2_vessel = find_solvent_vessel(G, final_solvent2)
|
||||
|
||||
# 步骤1：将样品从源容器转移到柱子上
|
||||
action_sequence.append({
|
||||
"device_id": pump_id,
|
||||
"action_name": "transfer",
|
||||
"action_kwargs": {
|
||||
"from_vessel": from_vessel,
|
||||
"to_vessel": column_id, # 将样品转移到柱子设备
|
||||
"volume": 0.0, # 转移所有液体，体积由系统确定
|
||||
"amount": f"样品上柱 - 使用 {column}",
|
||||
"time": 0.0,
|
||||
"viscous": False,
|
||||
"rinsing_solvent": "",
|
||||
"rinsing_volume": 0.0,
|
||||
"rinsing_repeats": 0,
|
||||
"solid": False
|
||||
}
|
||||
})
|
||||
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}'")
|
||||
|
||||
# 步骤2：运行柱层析分离
|
||||
action_sequence.append({
|
||||
"device_id": column_id,
|
||||
"action_name": "run_column",
|
||||
"action_kwargs": {
|
||||
"from_vessel": from_vessel,
|
||||
"to_vessel": to_vessel,
|
||||
"column": column
|
||||
}
|
||||
})
|
||||
# === 获取源容器体积 ===
|
||||
debug_print("📍 步骤4: 获取源容器体积...")
|
||||
|
||||
# 步骤3：将分离后的产物从柱子转移到目标容器
|
||||
action_sequence.append({
|
||||
"device_id": pump_id,
|
||||
"action_name": "transfer",
|
||||
"action_kwargs": {
|
||||
"from_vessel": column_id, # 从柱子设备转移
|
||||
"to_vessel": to_vessel,
|
||||
"volume": 0.0, # 转移所有液体，体积由系统确定
|
||||
"amount": f"收集分离产物 - 来自 {column}",
|
||||
"time": 0.0,
|
||||
"viscous": False,
|
||||
"rinsing_solvent": "",
|
||||
"rinsing_volume": 0.0,
|
||||
"rinsing_repeats": 0,
|
||||
"solid": False
|
||||
}
|
||||
})
|
||||
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")
|
||||
|
||||
return action_sequence
|
||||
# === 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
|
||||
|
||||
|
||||
@@ -1,137 +1,545 @@
|
||||
from typing import List, Dict, Any
|
||||
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,
|
||||
stir_time: float,
|
||||
stir_speed: float,
|
||||
settling_time: float
|
||||
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
|
||||
"""生成搅拌操作的协议序列 - 修复vessel参数传递"""
|
||||
|
||||
Args:
|
||||
G: 有向图，节点为设备和容器
|
||||
stir_time: 搅拌时间 (秒)
|
||||
stir_speed: 搅拌速度 (rpm)
|
||||
settling_time: 沉降时间 (秒)
|
||||
# 🔧 核心修改：正确处理vessel参数
|
||||
vessel_id = extract_vessel_id(vessel)
|
||||
vessel_display = get_vessel_display_info(vessel)
|
||||
|
||||
Returns:
|
||||
List[Dict[str, Any]]: 搅拌操作的动作序列
|
||||
# 🔧 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}")
|
||||
|
||||
Raises:
|
||||
ValueError: 当找不到搅拌设备时抛出异常
|
||||
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... 🌪️")
|
||||
|
||||
Examples:
|
||||
stir_protocol = generate_stir_protocol(G, 300.0, 500.0, 60.0)
|
||||
"""
|
||||
action_sequence = []
|
||||
|
||||
# 查找搅拌设备
|
||||
stirrer_nodes = [node for node in G.nodes()
|
||||
if G.nodes[node].get('class') == 'virtual_stirrer']
|
||||
|
||||
if not stirrer_nodes:
|
||||
raise ValueError("没有找到可用的搅拌设备")
|
||||
|
||||
# 使用第一个可用的搅拌器
|
||||
stirrer_id = stirrer_nodes[0]
|
||||
|
||||
# 执行搅拌操作
|
||||
action_sequence.append({
|
||||
stir_action = {
|
||||
"device_id": stirrer_id,
|
||||
"action_name": "stir",
|
||||
"action_kwargs": {
|
||||
"stir_time": stir_time,
|
||||
"stir_speed": stir_speed,
|
||||
"settling_time": settling_time
|
||||
# 🔧 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: str,
|
||||
stir_speed: float,
|
||||
purpose: str
|
||||
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
|
||||
"""生成开始搅拌操作的协议序列 - 修复vessel参数传递"""
|
||||
|
||||
Args:
|
||||
G: 有向图，节点为设备和容器
|
||||
vessel: 搅拌容器
|
||||
stir_speed: 搅拌速度 (rpm)
|
||||
purpose: 搅拌目的
|
||||
# 🔧 核心修改：正确处理vessel参数
|
||||
vessel_id = extract_vessel_id(vessel)
|
||||
vessel_display = get_vessel_display_info(vessel)
|
||||
|
||||
Returns:
|
||||
List[Dict[str, Any]]: 开始搅拌操作的动作序列
|
||||
"""
|
||||
action_sequence = []
|
||||
# 🔧 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}")
|
||||
|
||||
# 查找搅拌设备
|
||||
stirrer_nodes = [node for node in G.nodes()
|
||||
if G.nodes[node].get('class') == 'virtual_stirrer']
|
||||
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}")
|
||||
|
||||
if not stirrer_nodes:
|
||||
raise ValueError("没有找到可用的搅拌设备")
|
||||
# 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")
|
||||
|
||||
stirrer_id = stirrer_nodes[0]
|
||||
# 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
|
||||
|
||||
# 验证容器是否存在
|
||||
if vessel not in G.nodes():
|
||||
raise ValueError(f"容器 {vessel} 不存在于图中")
|
||||
# 查找设备
|
||||
stirrer_id = find_connected_stirrer(G, vessel_id)
|
||||
|
||||
action_sequence.append({
|
||||
# 🔧 关键修复：传递vessel_id字符串
|
||||
action_sequence = [{
|
||||
"device_id": stirrer_id,
|
||||
"action_name": "start_stir",
|
||||
"action_kwargs": {
|
||||
"vessel": vessel,
|
||||
# 🔧 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
|
||||
"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: str
|
||||
vessel: Union[str, dict],
|
||||
**kwargs
|
||||
) -> List[Dict[str, Any]]:
|
||||
"""
|
||||
生成停止搅拌操作的协议序列
|
||||
"""生成停止搅拌操作的协议序列 - 修复vessel参数传递"""
|
||||
|
||||
Args:
|
||||
G: 有向图，节点为设备和容器
|
||||
vessel: 搅拌容器
|
||||
# 🔧 核心修改：正确处理vessel参数
|
||||
vessel_id = extract_vessel_id(vessel)
|
||||
vessel_display = get_vessel_display_info(vessel)
|
||||
|
||||
Returns:
|
||||
List[Dict[str, Any]]: 停止搅拌操作的动作序列
|
||||
"""
|
||||
action_sequence = []
|
||||
# 🔧 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}")
|
||||
|
||||
# 查找搅拌设备
|
||||
stirrer_nodes = [node for node in G.nodes()
|
||||
if G.nodes[node].get('class') == 'virtual_stirrer']
|
||||
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})")
|
||||
|
||||
if not stirrer_nodes:
|
||||
raise ValueError("没有找到可用的搅拌设备")
|
||||
# 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")
|
||||
|
||||
stirrer_id = stirrer_nodes[0]
|
||||
# 查找设备
|
||||
stirrer_id = find_connected_stirrer(G, vessel_id)
|
||||
|
||||
# 验证容器是否存在
|
||||
if vessel not in G.nodes():
|
||||
raise ValueError(f"容器 {vessel} 不存在于图中")
|
||||
|
||||
action_sequence.append({
|
||||
# 🔧 关键修复：传递vessel_id字符串
|
||||
action_sequence = [{
|
||||
"device_id": stirrer_id,
|
||||
"action_name": "stop_stir",
|
||||
"action_kwargs": {
|
||||
"vessel": vessel
|
||||
# 🔧 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
|
||||
}
|
||||
})
|
||||
}]
|
||||
|
||||
return action_sequence
|
||||
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()
|
||||
|
||||
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()
|
||||
@@ -1,216 +1,652 @@
|
||||
from typing import List, Dict, Any
|
||||
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"🧼 [WASH_SOLID] {message}", flush=True)
|
||||
logger.info(f"[WASH_SOLID] {message}")
|
||||
|
||||
def parse_time_input(time_input: Union[str, float, int]) -> float:
|
||||
"""统一时间解析函数（精简版）"""
|
||||
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: {time_input} → {result}s")
|
||||
return result
|
||||
|
||||
# 📝 处理字符串输入
|
||||
time_str = str(time_input).lower().strip()
|
||||
|
||||
# ❓ 特殊值快速处理
|
||||
special_times = {
|
||||
'?': 60.0, 'unknown': 60.0, 'briefly': 30.0,
|
||||
'quickly': 45.0, 'slowly': 120.0
|
||||
}
|
||||
|
||||
if time_str in special_times:
|
||||
result = special_times[time_str]
|
||||
debug_print(f"🎯 特殊时间: '{time_str}' → {result}s")
|
||||
return result
|
||||
|
||||
# 🔢 数字提取（简化正则）
|
||||
try:
|
||||
# 提取数字
|
||||
numbers = re.findall(r'\d+\.?\d*', time_str)
|
||||
if numbers:
|
||||
value = float(numbers[0])
|
||||
|
||||
# 简化单位判断
|
||||
if any(unit in time_str for unit in ['min', 'm']):
|
||||
result = value * 60.0
|
||||
elif any(unit in time_str for unit in ['h', 'hour']):
|
||||
result = value * 3600.0
|
||||
else:
|
||||
result = value # 默认秒
|
||||
|
||||
debug_print(f"✅ 时间解析: '{time_str}' → {result}s")
|
||||
return result
|
||||
except:
|
||||
pass
|
||||
|
||||
debug_print(f"⚠️ 时间解析失败: '{time_str}'，使用默认60s")
|
||||
return 60.0
|
||||
|
||||
def parse_volume_input(volume: Union[float, str], volume_spec: str = "", mass: str = "") -> float:
|
||||
"""统一体积解析函数（精简版）"""
|
||||
debug_print(f"💧 解析体积: volume={volume}, spec='{volume_spec}', mass='{mass}'")
|
||||
|
||||
# 🎯 优先级1：volume_spec（快速映射）
|
||||
if volume_spec:
|
||||
spec_map = {
|
||||
'small': 20.0, 'medium': 50.0, 'large': 100.0,
|
||||
'minimal': 10.0, 'normal': 50.0, 'generous': 150.0
|
||||
}
|
||||
for key, val in spec_map.items():
|
||||
if key in volume_spec.lower():
|
||||
debug_print(f"🎯 规格匹配: '{volume_spec}' → {val}mL")
|
||||
return val
|
||||
|
||||
# 🧮 优先级2：mass转体积（简化：1g=1mL）
|
||||
if mass:
|
||||
try:
|
||||
numbers = re.findall(r'\d+\.?\d*', mass)
|
||||
if numbers:
|
||||
value = float(numbers[0])
|
||||
if 'mg' in mass.lower():
|
||||
result = value / 1000.0
|
||||
elif 'kg' in mass.lower():
|
||||
result = value * 1000.0
|
||||
else:
|
||||
result = value # 默认g
|
||||
debug_print(f"⚖️ 质量转换: {mass} → {result}mL")
|
||||
return result
|
||||
except:
|
||||
pass
|
||||
|
||||
# 📦 优先级3：volume
|
||||
if volume:
|
||||
if isinstance(volume, (int, float)):
|
||||
result = float(volume)
|
||||
debug_print(f"💧 数值体积: {volume} → {result}mL")
|
||||
return result
|
||||
elif isinstance(volume, str):
|
||||
try:
|
||||
# 提取数字
|
||||
numbers = re.findall(r'\d+\.?\d*', volume)
|
||||
if numbers:
|
||||
value = float(numbers[0])
|
||||
# 简化单位判断
|
||||
if 'l' in volume.lower() and 'ml' not in volume.lower():
|
||||
result = value * 1000.0 # L转mL
|
||||
else:
|
||||
result = value # 默认mL
|
||||
debug_print(f"💧 字符串体积: '{volume}' → {result}mL")
|
||||
return result
|
||||
except:
|
||||
pass
|
||||
|
||||
# 默认值
|
||||
debug_print(f"⚠️ 体积解析失败，使用默认50mL")
|
||||
return 50.0
|
||||
|
||||
def find_solvent_source(G: nx.DiGraph, solvent: str) -> str:
|
||||
"""查找溶剂源（精简版）"""
|
||||
debug_print(f"🔍 查找溶剂源: {solvent}")
|
||||
|
||||
# 简化搜索列表
|
||||
search_patterns = [
|
||||
f"flask_{solvent}", f"bottle_{solvent}", f"reagent_{solvent}",
|
||||
"liquid_reagent_bottle_1", "flask_1", "solvent_bottle"
|
||||
]
|
||||
|
||||
for pattern in search_patterns:
|
||||
if pattern in G.nodes():
|
||||
debug_print(f"🎉 找到溶剂源: {pattern}")
|
||||
return pattern
|
||||
|
||||
debug_print(f"⚠️ 使用默认溶剂源: flask_{solvent}")
|
||||
return f"flask_{solvent}"
|
||||
|
||||
def find_filtrate_vessel(G: nx.DiGraph, filtrate_vessel: str = "") -> str:
|
||||
"""查找滤液容器（精简版）"""
|
||||
debug_print(f"🔍 查找滤液容器: {filtrate_vessel}")
|
||||
|
||||
# 如果指定了且存在，直接使用
|
||||
if filtrate_vessel and filtrate_vessel in G.nodes():
|
||||
debug_print(f"✅ 使用指定容器: {filtrate_vessel}")
|
||||
return filtrate_vessel
|
||||
|
||||
# 简化搜索列表
|
||||
default_vessels = ["waste_workup", "filtrate_vessel", "flask_1", "collection_bottle_1"]
|
||||
|
||||
for vessel in default_vessels:
|
||||
if vessel in G.nodes():
|
||||
debug_print(f"🎉 找到滤液容器: {vessel}")
|
||||
return vessel
|
||||
|
||||
debug_print(f"⚠️ 使用默认滤液容器: waste_workup")
|
||||
return "waste_workup"
|
||||
|
||||
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 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 0.0mL")
|
||||
return 0.0
|
||||
|
||||
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_wash_solid_protocol(
|
||||
G: nx.DiGraph,
|
||||
vessel: str,
|
||||
vessel: Union[str, dict], # 🔧 修改：支持vessel字典
|
||||
solvent: str,
|
||||
volume: float,
|
||||
filtrate_vessel: str = "",
|
||||
volume: Union[float, str] = "50",
|
||||
filtrate_vessel: Union[str, dict] = "", # 🔧 修改：支持vessel字典
|
||||
temp: float = 25.0,
|
||||
stir: bool = False,
|
||||
stir_speed: float = 0.0,
|
||||
time: float = 0.0,
|
||||
repeats: int = 1
|
||||
time: Union[str, float] = "0",
|
||||
repeats: int = 1,
|
||||
volume_spec: str = "",
|
||||
repeats_spec: str = "",
|
||||
mass: str = "",
|
||||
event: str = "",
|
||||
**kwargs
|
||||
) -> List[Dict[str, Any]]:
|
||||
"""
|
||||
生成固体清洗的协议序列
|
||||
生成固体清洗协议 - 支持vessel字典和体积运算
|
||||
|
||||
Args:
|
||||
G: 有向图，节点为设备和容器
|
||||
vessel: 装有固体物质的容器名称
|
||||
solvent: 用于清洗固体的溶剂名称
|
||||
volume: 清洗溶剂的体积
|
||||
filtrate_vessel: 滤液要收集到的容器名称，可选参数
|
||||
temp: 清洗时的温度，可选参数
|
||||
stir: 是否在清洗过程中搅拌，默认为 False
|
||||
stir_speed: 搅拌速度，可选参数
|
||||
time: 清洗的时间，可选参数
|
||||
repeats: 清洗操作的重复次数，默认为 1
|
||||
G: 有向图，节点为设备和容器，边为流体管道
|
||||
vessel: 清洗容器字典（从XDL传入）或容器ID字符串
|
||||
solvent: 清洗溶剂名称
|
||||
volume: 溶剂体积（每次清洗）
|
||||
filtrate_vessel: 滤液收集容器字典或容器ID字符串
|
||||
temp: 清洗温度（°C）
|
||||
stir: 是否搅拌
|
||||
stir_speed: 搅拌速度（RPM）
|
||||
time: 搅拌时间
|
||||
repeats: 清洗重复次数
|
||||
volume_spec: 体积规格（small/medium/large）
|
||||
repeats_spec: 重复次数规格（few/several/many）
|
||||
mass: 固体质量（用于计算溶剂用量）
|
||||
event: 事件描述
|
||||
**kwargs: 其他可选参数
|
||||
|
||||
Returns:
|
||||
List[Dict[str, Any]]: 固体清洗操作的动作序列
|
||||
|
||||
Raises:
|
||||
ValueError: 当找不到必要的设备时抛出异常
|
||||
|
||||
Examples:
|
||||
wash_solid_protocol = generate_wash_solid_protocol(
|
||||
G, "reactor", "ethanol", 100.0, "waste_flask", 60.0, True, 300.0, 600.0, 3
|
||||
)
|
||||
"""
|
||||
|
||||
# 🔧 核心修改：从vessel参数中提取vessel_id
|
||||
vessel_id = extract_vessel_id(vessel)
|
||||
vessel_display = get_vessel_display_info(vessel)
|
||||
|
||||
# 🔧 处理filtrate_vessel参数
|
||||
filtrate_vessel_id = extract_vessel_id(filtrate_vessel) if filtrate_vessel else ""
|
||||
|
||||
debug_print("🧼" * 20)
|
||||
debug_print("🚀 开始生成固体清洗协议（支持vessel字典和体积运算）✨")
|
||||
debug_print(f"📝 输入参数:")
|
||||
debug_print(f" 🥽 vessel: {vessel_display} (ID: {vessel_id})")
|
||||
debug_print(f" 🧪 solvent: {solvent}")
|
||||
debug_print(f" 💧 volume: {volume}")
|
||||
debug_print(f" 🗑️ filtrate_vessel: {filtrate_vessel_id}")
|
||||
debug_print(f" ⏰ time: {time}")
|
||||
debug_print(f" 🔄 repeats: {repeats}")
|
||||
debug_print("🧼" * 20)
|
||||
|
||||
# 🔧 新增：记录清洗前的容器状态
|
||||
debug_print("🔍 记录清洗前容器状态...")
|
||||
if isinstance(vessel, dict):
|
||||
original_volume = get_vessel_liquid_volume(vessel)
|
||||
debug_print(f"📊 清洗前液体体积: {original_volume:.2f}mL")
|
||||
else:
|
||||
original_volume = 0.0
|
||||
debug_print(f"📊 vessel为字符串格式，无法获取体积信息")
|
||||
|
||||
# 📋 快速验证
|
||||
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")
|
||||
|
||||
if not solvent:
|
||||
debug_print("❌ 溶剂不能为空! 😱")
|
||||
raise ValueError("solvent 参数不能为空")
|
||||
|
||||
debug_print("✅ 基础验证通过 🎯")
|
||||
|
||||
# 🔄 参数解析
|
||||
debug_print("📍 步骤1: 参数解析... ⚡")
|
||||
final_volume = parse_volume_input(volume, volume_spec, mass)
|
||||
final_time = parse_time_input(time)
|
||||
|
||||
# 重复次数处理（简化）
|
||||
if repeats_spec:
|
||||
spec_map = {'few': 2, 'several': 3, 'many': 4, 'thorough': 5}
|
||||
final_repeats = next((v for k, v in spec_map.items() if k in repeats_spec.lower()), repeats)
|
||||
else:
|
||||
final_repeats = max(1, min(repeats, 5)) # 限制1-5次
|
||||
|
||||
# 🕐 模拟时间优化
|
||||
debug_print(" ⏱️ 模拟时间优化...")
|
||||
original_time = final_time
|
||||
if final_time > 60.0:
|
||||
final_time = 60.0 # 限制最长60秒
|
||||
debug_print(f" 🎮 时间优化: {original_time}s → {final_time}s ⚡")
|
||||
|
||||
# 参数修正
|
||||
temp = max(25.0, min(temp, 80.0)) # 温度范围25-80°C
|
||||
stir_speed = max(0.0, min(stir_speed, 300.0)) if stir else 0.0 # 速度范围0-300
|
||||
|
||||
debug_print(f"🎯 最终参数: 体积={final_volume}mL, 时间={final_time}s, 重复={final_repeats}次")
|
||||
|
||||
# 🔍 查找设备
|
||||
debug_print("📍 步骤2: 查找设备... 🔍")
|
||||
try:
|
||||
solvent_source = find_solvent_source(G, solvent)
|
||||
actual_filtrate_vessel = find_filtrate_vessel(G, filtrate_vessel_id)
|
||||
debug_print(f"🎉 设备配置完成 ✨")
|
||||
debug_print(f" 🧪 溶剂源: {solvent_source}")
|
||||
debug_print(f" 🗑️ 滤液容器: {actual_filtrate_vessel}")
|
||||
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)}")
|
||||
|
||||
# 🚀 生成动作序列
|
||||
debug_print("📍 步骤3: 生成清洗动作... 🧼")
|
||||
action_sequence = []
|
||||
|
||||
# 验证容器是否存在
|
||||
if vessel not in G.nodes():
|
||||
raise ValueError(f"固体容器 {vessel} 不存在于图中")
|
||||
# 🔧 新增：体积变化跟踪变量
|
||||
current_volume = original_volume
|
||||
total_solvent_used = 0.0
|
||||
|
||||
if filtrate_vessel and filtrate_vessel not in G.nodes():
|
||||
raise ValueError(f"滤液容器 {filtrate_vessel} 不存在于图中")
|
||||
|
||||
# 查找转移泵设备（用于添加溶剂和转移滤液）
|
||||
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")
|
||||
|
||||
pump_id = pump_nodes[0]
|
||||
|
||||
# 查找加热设备（如果需要加热）
|
||||
heatchill_nodes = [node for node in G.nodes()
|
||||
if G.nodes[node].get('class') == 'virtual_heatchill']
|
||||
|
||||
heatchill_id = heatchill_nodes[0] if heatchill_nodes else None
|
||||
|
||||
# 查找搅拌设备（如果需要搅拌）
|
||||
stirrer_nodes = [node for node in G.nodes()
|
||||
if G.nodes[node].get('class') == 'virtual_stirrer']
|
||||
|
||||
stirrer_id = stirrer_nodes[0] if stirrer_nodes else None
|
||||
|
||||
# 查找过滤设备（用于分离固体和滤液）
|
||||
filter_nodes = [node for node in G.nodes()
|
||||
if G.nodes[node].get('class') == 'virtual_filter']
|
||||
|
||||
filter_id = filter_nodes[0] if filter_nodes else None
|
||||
|
||||
# 查找溶剂容器
|
||||
solvent_vessel = f"flask_{solvent}"
|
||||
if solvent_vessel not in G.nodes():
|
||||
# 如果没有找到特定溶剂容器，查找可用的源容器
|
||||
available_vessels = [node for node in G.nodes()
|
||||
if node.startswith('flask_') and
|
||||
G.nodes[node].get('type') == 'container']
|
||||
if available_vessels:
|
||||
solvent_vessel = available_vessels[0]
|
||||
else:
|
||||
raise ValueError(f"没有找到溶剂容器 {solvent}")
|
||||
|
||||
# 如果没有指定滤液容器，使用废液容器
|
||||
if not filtrate_vessel:
|
||||
waste_vessels = [node for node in G.nodes()
|
||||
if 'waste' in node.lower() and
|
||||
G.nodes[node].get('type') == 'container']
|
||||
filtrate_vessel = waste_vessels[0] if waste_vessels else "waste_flask"
|
||||
|
||||
# 重复清洗操作
|
||||
for repeat in range(repeats):
|
||||
repeat_num = repeat + 1
|
||||
for cycle in range(final_repeats):
|
||||
debug_print(f" 🔄 第{cycle+1}/{final_repeats}次清洗...")
|
||||
|
||||
# 步骤1：如果需要加热，先设置温度
|
||||
if temp > 25.0 and heatchill_id:
|
||||
action_sequence.append({
|
||||
"device_id": heatchill_id,
|
||||
"action_name": "heat_chill_start",
|
||||
# 1. 转移溶剂
|
||||
try:
|
||||
from .pump_protocol import generate_pump_protocol_with_rinsing
|
||||
|
||||
debug_print(f" 💧 添加溶剂: {final_volume}mL {solvent}")
|
||||
transfer_actions = generate_pump_protocol_with_rinsing(
|
||||
G=G,
|
||||
from_vessel=solvent_source,
|
||||
to_vessel=vessel_id, # 🔧 使用 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
|
||||
)
|
||||
|
||||
if transfer_actions:
|
||||
action_sequence.extend(transfer_actions)
|
||||
debug_print(f" ✅ 转移动作: {len(transfer_actions)}个 🚚")
|
||||
|
||||
# 🔧 新增：更新体积 - 添加溶剂后
|
||||
current_volume += final_volume
|
||||
total_solvent_used += final_volume
|
||||
|
||||
if isinstance(vessel, dict):
|
||||
update_vessel_volume(vessel, G, current_volume,
|
||||
f"第{cycle+1}次清洗添加{final_volume}mL溶剂后")
|
||||
|
||||
except Exception as e:
|
||||
debug_print(f" ❌ 转移失败: {str(e)} 😞")
|
||||
|
||||
# 2. 搅拌（如果需要）
|
||||
if stir and final_time > 0:
|
||||
debug_print(f" 🌪️ 搅拌: {final_time}s @ {stir_speed}RPM")
|
||||
stir_action = {
|
||||
"device_id": "stirrer_1",
|
||||
"action_name": "stir",
|
||||
"action_kwargs": {
|
||||
"vessel": vessel,
|
||||
"temp": temp,
|
||||
"purpose": f"固体清洗 - 第 {repeat_num} 次"
|
||||
"vessel": vessel_id, # 🔧 使用 vessel_id
|
||||
"time": str(time),
|
||||
"stir_time": final_time,
|
||||
"stir_speed": stir_speed,
|
||||
"settling_time": 10.0 # 🕐 缩短沉降时间
|
||||
}
|
||||
})
|
||||
|
||||
# 步骤2：添加清洗溶剂到固体容器
|
||||
action_sequence.append({
|
||||
"device_id": pump_id,
|
||||
"action_name": "transfer",
|
||||
"action_kwargs": {
|
||||
"from_vessel": solvent_vessel,
|
||||
"to_vessel": vessel,
|
||||
"volume": volume,
|
||||
"amount": f"清洗溶剂 {solvent} - 第 {repeat_num} 次",
|
||||
"time": 0.0,
|
||||
"viscous": False,
|
||||
"rinsing_solvent": "",
|
||||
"rinsing_volume": 0.0,
|
||||
"rinsing_repeats": 0,
|
||||
"solid": False
|
||||
}
|
||||
action_sequence.append(stir_action)
|
||||
debug_print(f" ✅ 搅拌动作: {final_time}s, {stir_speed}RPM 🌪️")
|
||||
|
||||
# 3. 过滤
|
||||
debug_print(f" 🌊 过滤到: {actual_filtrate_vessel}")
|
||||
filter_action = {
|
||||
"device_id": "filter_1",
|
||||
"action_name": "filter",
|
||||
"action_kwargs": {
|
||||
"vessel": vessel_id, # 🔧 使用 vessel_id
|
||||
"filtrate_vessel": actual_filtrate_vessel,
|
||||
"temp": temp,
|
||||
"volume": final_volume
|
||||
}
|
||||
}
|
||||
action_sequence.append(filter_action)
|
||||
debug_print(f" ✅ 过滤动作: → {actual_filtrate_vessel} 🌊")
|
||||
|
||||
# 🔧 新增：更新体积 - 过滤后（液体被滤除）
|
||||
# 假设滤液完全被移除，固体残留在容器中
|
||||
filtered_volume = current_volume * 0.9 # 假设90%的液体被过滤掉
|
||||
current_volume = current_volume - filtered_volume
|
||||
|
||||
if isinstance(vessel, dict):
|
||||
update_vessel_volume(vessel, G, current_volume,
|
||||
f"第{cycle+1}次清洗过滤后")
|
||||
|
||||
# 4. 等待（缩短时间）
|
||||
wait_time = 5.0 # 🕐 缩短等待时间：10s → 5s
|
||||
action_sequence.append({
|
||||
"action_name": "wait",
|
||||
"action_kwargs": {"time": wait_time}
|
||||
})
|
||||
|
||||
# 步骤3：如果需要搅拌，开始搅拌
|
||||
if stir and stir_speed > 0 and stirrer_id:
|
||||
if time > 0:
|
||||
# 定时搅拌
|
||||
action_sequence.append({
|
||||
"device_id": stirrer_id,
|
||||
"action_name": "stir",
|
||||
"action_kwargs": {
|
||||
"stir_time": time,
|
||||
"stir_speed": stir_speed,
|
||||
"settling_time": 30.0 # 搅拌后静置30秒
|
||||
}
|
||||
})
|
||||
else:
|
||||
# 开始搅拌（需要手动停止）
|
||||
action_sequence.append({
|
||||
"device_id": stirrer_id,
|
||||
"action_name": "start_stir",
|
||||
"action_kwargs": {
|
||||
"vessel": vessel,
|
||||
"stir_speed": stir_speed,
|
||||
"purpose": f"固体清洗搅拌 - 第 {repeat_num} 次"
|
||||
}
|
||||
})
|
||||
|
||||
# 步骤4：如果指定了清洗时间但没有搅拌，等待清洗时间
|
||||
if time > 0 and (not stir or stir_speed == 0):
|
||||
# 这里可以添加等待操作，暂时跳过
|
||||
pass
|
||||
|
||||
# 步骤5：如果有搅拌且没有定时，停止搅拌
|
||||
if stir and stir_speed > 0 and time == 0 and stirrer_id:
|
||||
action_sequence.append({
|
||||
"device_id": stirrer_id,
|
||||
"action_name": "stop_stir",
|
||||
"action_kwargs": {
|
||||
"vessel": vessel
|
||||
}
|
||||
})
|
||||
|
||||
# 步骤6：过滤分离固体和滤液
|
||||
if filter_id:
|
||||
action_sequence.append({
|
||||
"device_id": filter_id,
|
||||
"action_name": "filter_sample",
|
||||
"action_kwargs": {
|
||||
"vessel": vessel,
|
||||
"filtrate_vessel": filtrate_vessel,
|
||||
"stir": False,
|
||||
"stir_speed": 0.0,
|
||||
"temp": temp,
|
||||
"continue_heatchill": temp > 25.0,
|
||||
"volume": volume
|
||||
}
|
||||
})
|
||||
else:
|
||||
# 没有专门的过滤设备，使用转移泵模拟过滤过程
|
||||
# 将滤液转移到滤液容器
|
||||
action_sequence.append({
|
||||
"device_id": pump_id,
|
||||
"action_name": "transfer",
|
||||
"action_kwargs": {
|
||||
"from_vessel": vessel,
|
||||
"to_vessel": filtrate_vessel,
|
||||
"volume": volume,
|
||||
"amount": f"转移滤液 - 第 {repeat_num} 次清洗",
|
||||
"time": 0.0,
|
||||
"viscous": False,
|
||||
"rinsing_solvent": "",
|
||||
"rinsing_volume": 0.0,
|
||||
"rinsing_repeats": 0,
|
||||
"solid": False
|
||||
}
|
||||
})
|
||||
|
||||
# 步骤7：如果加热了，停止加热（在最后一次清洗后）
|
||||
if temp > 25.0 and heatchill_id and repeat_num == repeats:
|
||||
action_sequence.append({
|
||||
"device_id": heatchill_id,
|
||||
"action_name": "heat_chill_stop",
|
||||
"action_kwargs": {
|
||||
"vessel": vessel
|
||||
}
|
||||
})
|
||||
debug_print(f" ✅ 等待: {wait_time}s ⏰")
|
||||
|
||||
return action_sequence
|
||||
# 🔧 新增：清洗完成后的最终状态报告
|
||||
if isinstance(vessel, dict):
|
||||
final_volume_vessel = get_vessel_liquid_volume(vessel)
|
||||
else:
|
||||
final_volume_vessel = current_volume
|
||||
|
||||
# 🎊 总结
|
||||
debug_print("🧼" * 20)
|
||||
debug_print(f"🎉 固体清洗协议生成完成! ✨")
|
||||
debug_print(f"📊 协议统计:")
|
||||
debug_print(f" 📋 总动作数: {len(action_sequence)} 个")
|
||||
debug_print(f" 🥽 清洗容器: {vessel_display}")
|
||||
debug_print(f" 🧪 使用溶剂: {solvent}")
|
||||
debug_print(f" 💧 单次体积: {final_volume}mL")
|
||||
debug_print(f" 🔄 清洗次数: {final_repeats}次")
|
||||
debug_print(f" 💧 总溶剂用量: {total_solvent_used:.2f}mL")
|
||||
debug_print(f"📊 体积变化统计:")
|
||||
debug_print(f" - 清洗前体积: {original_volume:.2f}mL")
|
||||
debug_print(f" - 清洗后体积: {final_volume_vessel:.2f}mL")
|
||||
debug_print(f" - 溶剂总用量: {total_solvent_used:.2f}mL")
|
||||
debug_print(f"⏱️ 预计总时间: {(final_time + 5) * final_repeats / 60:.1f} 分钟")
|
||||
debug_print("🧼" * 20)
|
||||
|
||||
return action_sequence
|
||||
|
||||
# 🔧 新增：便捷函数
|
||||
def wash_with_water(G: nx.DiGraph, vessel: Union[str, dict],
|
||||
volume: Union[float, str] = "50",
|
||||
repeats: int = 2) -> List[Dict[str, Any]]:
|
||||
"""用水清洗固体"""
|
||||
vessel_display = get_vessel_display_info(vessel)
|
||||
debug_print(f"💧 水洗固体: {vessel_display} ({repeats} 次)")
|
||||
return generate_wash_solid_protocol(G, vessel, "water", volume=volume, repeats=repeats)
|
||||
|
||||
def wash_with_ethanol(G: nx.DiGraph, vessel: Union[str, dict],
|
||||
volume: Union[float, str] = "30",
|
||||
repeats: int = 1) -> List[Dict[str, Any]]:
|
||||
"""用乙醇清洗固体"""
|
||||
vessel_display = get_vessel_display_info(vessel)
|
||||
debug_print(f"🍺 乙醇洗固体: {vessel_display} ({repeats} 次)")
|
||||
return generate_wash_solid_protocol(G, vessel, "ethanol", volume=volume, repeats=repeats)
|
||||
|
||||
def wash_with_acetone(G: nx.DiGraph, vessel: Union[str, dict],
|
||||
volume: Union[float, str] = "25",
|
||||
repeats: int = 1) -> List[Dict[str, Any]]:
|
||||
"""用丙酮清洗固体"""
|
||||
vessel_display = get_vessel_display_info(vessel)
|
||||
debug_print(f"💨 丙酮洗固体: {vessel_display} ({repeats} 次)")
|
||||
return generate_wash_solid_protocol(G, vessel, "acetone", volume=volume, repeats=repeats)
|
||||
|
||||
def wash_with_ether(G: nx.DiGraph, vessel: Union[str, dict],
|
||||
volume: Union[float, str] = "40",
|
||||
repeats: int = 2) -> List[Dict[str, Any]]:
|
||||
"""用乙醚清洗固体"""
|
||||
vessel_display = get_vessel_display_info(vessel)
|
||||
debug_print(f"🌬️ 乙醚洗固体: {vessel_display} ({repeats} 次)")
|
||||
return generate_wash_solid_protocol(G, vessel, "diethyl_ether", volume=volume, repeats=repeats)
|
||||
|
||||
def wash_with_cold_solvent(G: nx.DiGraph, vessel: Union[str, dict],
|
||||
solvent: str, volume: Union[float, str] = "30",
|
||||
repeats: int = 1) -> List[Dict[str, Any]]:
|
||||
"""用冷溶剂清洗固体"""
|
||||
vessel_display = get_vessel_display_info(vessel)
|
||||
debug_print(f"❄️ 冷{solvent}洗固体: {vessel_display} ({repeats} 次)")
|
||||
return generate_wash_solid_protocol(G, vessel, solvent, volume=volume,
|
||||
temp=5.0, repeats=repeats)
|
||||
|
||||
def wash_with_hot_solvent(G: nx.DiGraph, vessel: Union[str, dict],
|
||||
solvent: str, volume: Union[float, str] = "50",
|
||||
repeats: int = 1) -> List[Dict[str, Any]]:
|
||||
"""用热溶剂清洗固体"""
|
||||
vessel_display = get_vessel_display_info(vessel)
|
||||
debug_print(f"🔥 热{solvent}洗固体: {vessel_display} ({repeats} 次)")
|
||||
return generate_wash_solid_protocol(G, vessel, solvent, volume=volume,
|
||||
temp=60.0, repeats=repeats)
|
||||
|
||||
def wash_with_stirring(G: nx.DiGraph, vessel: Union[str, dict],
|
||||
solvent: str, volume: Union[float, str] = "50",
|
||||
stir_time: Union[str, float] = "5 min",
|
||||
repeats: int = 1) -> List[Dict[str, Any]]:
|
||||
"""带搅拌的溶剂清洗"""
|
||||
vessel_display = get_vessel_display_info(vessel)
|
||||
debug_print(f"🌪️ 搅拌清洗: {vessel_display} with {solvent} ({repeats} 次)")
|
||||
return generate_wash_solid_protocol(G, vessel, solvent, volume=volume,
|
||||
stir=True, stir_speed=200.0,
|
||||
time=stir_time, repeats=repeats)
|
||||
|
||||
def thorough_wash(G: nx.DiGraph, vessel: Union[str, dict],
|
||||
solvent: str, volume: Union[float, str] = "50") -> List[Dict[str, Any]]:
|
||||
"""彻底清洗（多次重复）"""
|
||||
vessel_display = get_vessel_display_info(vessel)
|
||||
debug_print(f"🔄 彻底清洗: {vessel_display} with {solvent} (5 次)")
|
||||
return generate_wash_solid_protocol(G, vessel, solvent, volume=volume, repeats=5)
|
||||
|
||||
def quick_rinse(G: nx.DiGraph, vessel: Union[str, dict],
|
||||
solvent: str, volume: Union[float, str] = "20") -> List[Dict[str, Any]]:
|
||||
"""快速冲洗（单次，小体积）"""
|
||||
vessel_display = get_vessel_display_info(vessel)
|
||||
debug_print(f"⚡ 快速冲洗: {vessel_display} with {solvent}")
|
||||
return generate_wash_solid_protocol(G, vessel, solvent, volume=volume, repeats=1)
|
||||
|
||||
def sequential_wash(G: nx.DiGraph, vessel: Union[str, dict],
|
||||
solvents: list, volume: Union[float, str] = "40") -> List[Dict[str, Any]]:
|
||||
"""连续多溶剂清洗"""
|
||||
vessel_display = get_vessel_display_info(vessel)
|
||||
debug_print(f"📝 连续清洗: {vessel_display} with {' → '.join(solvents)}")
|
||||
|
||||
action_sequence = []
|
||||
for solvent in solvents:
|
||||
wash_actions = generate_wash_solid_protocol(G, vessel, solvent,
|
||||
volume=volume, repeats=1)
|
||||
action_sequence.extend(wash_actions)
|
||||
|
||||
return action_sequence
|
||||
|
||||
# 测试函数
|
||||
def test_wash_solid_protocol():
|
||||
"""测试固体清洗协议"""
|
||||
debug_print("🧪 === WASH SOLID 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": "filter_flask_1", "name": "过滤瓶1",
|
||||
"data": {"liquid_volume": 25.0}}
|
||||
vessel_id = extract_vessel_id(vessel_dict)
|
||||
vessel_display = get_vessel_display_info(vessel_dict)
|
||||
volume = get_vessel_liquid_volume(vessel_dict)
|
||||
debug_print(f" 字典格式: {vessel_dict}")
|
||||
debug_print(f" → ID: {vessel_id}, 显示: {vessel_display}, 体积: {volume}mL")
|
||||
|
||||
# 测试字符串格式
|
||||
vessel_str = "filter_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}")
|
||||
debug_print(f" → ID: {vessel_id}, 显示: {vessel_display}")
|
||||
|
||||
debug_print("✅ 测试完成 🎉")
|
||||
|
||||
if __name__ == "__main__":
|
||||
test_wash_solid_protocol()
|
||||
@@ -9,11 +9,14 @@ from unilabos.utils import logger
|
||||
|
||||
class BasicConfig:
|
||||
ENV = "pro" # 'test'
|
||||
working_dir = ""
|
||||
config_path = ""
|
||||
is_host_mode = True # 从registry.py移动过来
|
||||
is_host_mode = True
|
||||
slave_no_host = False # 是否跳过rclient.wait_for_service()
|
||||
upload_registry = False
|
||||
machine_name = "undefined"
|
||||
vis_2d_enable = False
|
||||
enable_resource_load = True
|
||||
|
||||
|
||||
# MQTT配置
|
||||
@@ -62,7 +65,7 @@ class ROSConfig:
|
||||
]
|
||||
|
||||
|
||||
def _update_config_from_module(module):
|
||||
def _update_config_from_module(module, override_labid: str):
|
||||
for name, obj in globals().items():
|
||||
if isinstance(obj, type) and name.endswith("Config"):
|
||||
if hasattr(module, name) and isinstance(getattr(module, name), type):
|
||||
@@ -73,6 +76,9 @@ def _update_config_from_module(module):
|
||||
if len(OSSUploadConfig.authorization) == 0:
|
||||
OSSUploadConfig.authorization = f"lab {MQConfig.lab_id}"
|
||||
# 对 ca_file cert_file key_file 进行初始化
|
||||
if override_labid:
|
||||
MQConfig.lab_id = override_labid
|
||||
logger.warning(f"[ENV] 当前实验室启动的ID被设置为：{override_labid}")
|
||||
if len(MQConfig.ca_content) == 0:
|
||||
# 需要先判断是否为相对路径
|
||||
if MQConfig.ca_file.startswith("."):
|
||||
@@ -154,7 +160,7 @@ def _update_config_from_env():
|
||||
|
||||
|
||||
|
||||
def load_config(config_path=None):
|
||||
def load_config(config_path=None, override_labid=None):
|
||||
# 如果提供了配置文件路径，从该文件导入配置
|
||||
if config_path:
|
||||
_update_config_from_env() # 允许config_path被env设定后读取
|
||||
@@ -171,7 +177,7 @@ def load_config(config_path=None):
|
||||
return
|
||||
module = importlib.util.module_from_spec(spec)
|
||||
spec.loader.exec_module(module) # type: ignore
|
||||
_update_config_from_module(module)
|
||||
_update_config_from_module(module, override_labid)
|
||||
logger.info(f"[ENV] 配置文件 {config_path} 加载成功")
|
||||
except Exception as e:
|
||||
logger.error(f"[ENV] 加载配置文件 {config_path} 失败")
|
||||
@@ -179,4 +185,4 @@ def load_config(config_path=None):
|
||||
exit(1)
|
||||
else:
|
||||
config_path = os.path.join(os.path.dirname(__file__), "local_config.py")
|
||||
load_config(config_path)
|
||||
load_config(config_path, override_labid)
|
||||
|
||||
17
unilabos/config/example_config.py
Normal file
17
unilabos/config/example_config.py
Normal file
@@ -0,0 +1,17 @@
|
||||
# MQTT配置
|
||||
class MQConfig:
|
||||
lab_id = ""
|
||||
instance_id = ""
|
||||
access_key = ""
|
||||
secret_key = ""
|
||||
group_id = ""
|
||||
broker_url = ""
|
||||
port = 1883
|
||||
|
||||
ca_file = "CA.crt"
|
||||
cert_file = "lab.crt"
|
||||
key_file = "lab.key"
|
||||
|
||||
# HTTP配置
|
||||
class HTTPConfig:
|
||||
remote_addr = "https://uni-lab.bohrium.com/api/v1"
|
||||
@@ -1,9 +0,0 @@
|
||||
# Default initial positions for full_dev's ros2_control fake system
|
||||
|
||||
initial_positions:
|
||||
arm_base_joint: 0
|
||||
arm_link_1_joint: 0
|
||||
arm_link_2_joint: 0
|
||||
arm_link_3_joint: 0
|
||||
gripper_base_joint: 0
|
||||
gripper_right_joint: 0.03
|
||||
@@ -1,40 +0,0 @@
|
||||
# joint_limits.yaml allows the dynamics properties specified in the URDF to be overwritten or augmented as needed
|
||||
|
||||
# For beginners, we downscale velocity and acceleration limits.
|
||||
# You can always specify higher scaling factors (<= 1.0) in your motion requests. # Increase the values below to 1.0 to always move at maximum speed.
|
||||
default_velocity_scaling_factor: 0.1
|
||||
default_acceleration_scaling_factor: 0.1
|
||||
|
||||
# Specific joint properties can be changed with the keys [max_position, min_position, max_velocity, max_acceleration]
|
||||
# Joint limits can be turned off with [has_velocity_limits, has_acceleration_limits]
|
||||
joint_limits:
|
||||
arm_base_joint:
|
||||
has_velocity_limits: true
|
||||
max_velocity: 0
|
||||
has_acceleration_limits: false
|
||||
max_acceleration: 0
|
||||
arm_link_1_joint:
|
||||
has_velocity_limits: true
|
||||
max_velocity: 0
|
||||
has_acceleration_limits: false
|
||||
max_acceleration: 0
|
||||
arm_link_2_joint:
|
||||
has_velocity_limits: true
|
||||
max_velocity: 0
|
||||
has_acceleration_limits: false
|
||||
max_acceleration: 0
|
||||
arm_link_3_joint:
|
||||
has_velocity_limits: true
|
||||
max_velocity: 0
|
||||
has_acceleration_limits: false
|
||||
max_acceleration: 0
|
||||
gripper_base_joint:
|
||||
has_velocity_limits: true
|
||||
max_velocity: 0
|
||||
has_acceleration_limits: false
|
||||
max_acceleration: 0
|
||||
gripper_right_joint:
|
||||
has_velocity_limits: true
|
||||
max_velocity: 0
|
||||
has_acceleration_limits: false
|
||||
max_acceleration: 0
|
||||
@@ -1,4 +0,0 @@
|
||||
arm:
|
||||
kinematics_solver: lma_kinematics_plugin/LMAKinematicsPlugin
|
||||
kinematics_solver_search_resolution: 0.0050000000000000001
|
||||
kinematics_solver_timeout: 0.0050000000000000001
|
||||
@@ -1,56 +0,0 @@
|
||||
<?xml version="1.0"?>
|
||||
<robot xmlns:xacro="http://www.ros.org/wiki/xacro">
|
||||
<xacro:macro name="benyao_arm_ros2_control" params="device_name mesh_path">
|
||||
<xacro:property name="initial_positions" value="${load_yaml(mesh_path + '/devices/benyao_arm/config/initial_positions.yaml')['initial_positions']}"/>
|
||||
|
||||
<ros2_control name="${device_name}benyao_arm" type="system">
|
||||
<hardware>
|
||||
<!-- By default, set up controllers for simulation. This won't work on real hardware -->
|
||||
<plugin>mock_components/GenericSystem</plugin>
|
||||
</hardware>
|
||||
<joint name="${device_name}arm_base_joint">
|
||||
<command_interface name="position"/>
|
||||
<state_interface name="position">
|
||||
<param name="initial_value">${initial_positions['arm_base_joint']}</param>
|
||||
</state_interface>
|
||||
<state_interface name="velocity"/>
|
||||
</joint>
|
||||
<joint name="${device_name}arm_link_1_joint">
|
||||
<command_interface name="position"/>
|
||||
<state_interface name="position">
|
||||
<param name="initial_value">${initial_positions['arm_link_1_joint']}</param>
|
||||
</state_interface>
|
||||
<state_interface name="velocity"/>
|
||||
</joint>
|
||||
<joint name="${device_name}arm_link_2_joint">
|
||||
<command_interface name="position"/>
|
||||
<state_interface name="position">
|
||||
<param name="initial_value">${initial_positions['arm_link_2_joint']}</param>
|
||||
</state_interface>
|
||||
<state_interface name="velocity"/>
|
||||
</joint>
|
||||
<joint name="${device_name}arm_link_3_joint">
|
||||
<command_interface name="position"/>
|
||||
<state_interface name="position">
|
||||
<param name="initial_value">${initial_positions['arm_link_3_joint']}</param>
|
||||
</state_interface>
|
||||
<state_interface name="velocity"/>
|
||||
</joint>
|
||||
<joint name="${device_name}gripper_base_joint">
|
||||
<command_interface name="position"/>
|
||||
<state_interface name="position">
|
||||
<param name="initial_value">${initial_positions['gripper_base_joint']}</param>
|
||||
</state_interface>
|
||||
<state_interface name="velocity"/>
|
||||
</joint>
|
||||
<joint name="${device_name}gripper_right_joint">
|
||||
<command_interface name="position"/>
|
||||
<state_interface name="position">
|
||||
<param name="initial_value">${initial_positions['gripper_right_joint']}</param>
|
||||
</state_interface>
|
||||
<state_interface name="velocity"/>
|
||||
</joint>
|
||||
|
||||
</ros2_control>
|
||||
</xacro:macro>
|
||||
</robot>
|
||||
@@ -1,46 +0,0 @@
|
||||
<?xml version="1.0" encoding="UTF-8"?>
|
||||
<!--This does not replace URDF, and is not an extension of URDF.
|
||||
This is a format for representing semantic information about the robot structure.
|
||||
A URDF file must exist for this robot as well, where the joints and the links that are referenced are defined
|
||||
-->
|
||||
<robot xmlns:xacro="http://ros.org/wiki/xacro">
|
||||
<xacro:macro name="benyao_arm_srdf" params="device_name">
|
||||
<!--GROUPS: Representation of a set of joints and links. This can be useful for specifying DOF to plan for, defining arms, end effectors, etc-->
|
||||
<!--LINKS: When a link is specified, the parent joint of that link (if it exists) is automatically included-->
|
||||
<!--JOINTS: When a joint is specified, the child link of that joint (which will always exist) is automatically included-->
|
||||
<!--CHAINS: When a chain is specified, all the links along the chain (including endpoints) are included in the group. Additionally, all the joints that are parents to included links are also included. This means that joints along the chain and the parent joint of the base link are included in the group-->
|
||||
<!--SUBGROUPS: Groups can also be formed by referencing to already defined group names-->
|
||||
<group name="${device_name}arm">
|
||||
<chain base_link="${device_name}arm_slideway" tip_link="${device_name}gripper_base"/>
|
||||
</group>
|
||||
<group name="${device_name}arm_gripper">
|
||||
<joint name="${device_name}gripper_right_joint"/>
|
||||
</group>
|
||||
<!--DISABLE COLLISIONS: By default it is assumed that any link of the robot could potentially come into collision with any other link in the robot. This tag disables collision checking between a specified pair of links. -->
|
||||
<disable_collisions link1="${device_name}arm_base" link2="${device_name}arm_link_2" reason="Adjacent"/>
|
||||
<disable_collisions link1="${device_name}arm_base" link2="${device_name}arm_link_1" reason="Adjacent"/>
|
||||
<disable_collisions link1="${device_name}arm_base" link2="${device_name}arm_link_3" reason="Never"/>
|
||||
<disable_collisions link1="${device_name}arm_base" link2="${device_name}arm_slideway" reason="Adjacent"/>
|
||||
<disable_collisions link1="${device_name}arm_link_1" link2="${device_name}arm_link_2" reason="Adjacent"/>
|
||||
<disable_collisions link1="${device_name}arm_link_1" link2="${device_name}arm_link_3" reason="Never"/>
|
||||
<disable_collisions link1="${device_name}arm_link_1" link2="${device_name}arm_slideway" reason="Never"/>
|
||||
<disable_collisions link1="${device_name}arm_link_1" link2="${device_name}gripper_base" reason="Never"/>
|
||||
<disable_collisions link1="${device_name}arm_link_1" link2="${device_name}gripper_left" reason="Never"/>
|
||||
<disable_collisions link1="${device_name}arm_link_1" link2="${device_name}gripper_right" reason="Never"/>
|
||||
<disable_collisions link1="${device_name}arm_link_2" link2="${device_name}arm_link_3" reason="Adjacent"/>
|
||||
<disable_collisions link1="${device_name}arm_link_2" link2="${device_name}arm_slideway" reason="Never"/>
|
||||
<disable_collisions link1="${device_name}arm_link_2" link2="${device_name}gripper_base" reason="Never"/>
|
||||
<disable_collisions link1="${device_name}arm_link_2" link2="${device_name}gripper_left" reason="Never"/>
|
||||
<disable_collisions link1="${device_name}arm_link_2" link2="${device_name}gripper_right" reason="Never"/>
|
||||
<disable_collisions link1="${device_name}arm_link_3" link2="${device_name}arm_slideway" reason="Never"/>
|
||||
<disable_collisions link1="${device_name}arm_link_3" link2="${device_name}gripper_base" reason="Adjacent"/>
|
||||
<disable_collisions link1="${device_name}arm_link_3" link2="${device_name}gripper_left" reason="Never"/>
|
||||
<disable_collisions link1="${device_name}arm_link_3" link2="${device_name}gripper_right" reason="Never"/>
|
||||
<disable_collisions link1="${device_name}arm_slideway" link2="${device_name}gripper_base" reason="Never"/>
|
||||
<disable_collisions link1="${device_name}arm_slideway" link2="${device_name}gripper_left" reason="Never"/>
|
||||
<disable_collisions link1="${device_name}arm_slideway" link2="${device_name}gripper_right" reason="Never"/>
|
||||
<disable_collisions link1="${device_name}gripper_base" link2="${device_name}gripper_left" reason="Adjacent"/>
|
||||
<disable_collisions link1="${device_name}gripper_base" link2="${device_name}gripper_right" reason="Adjacent"/>
|
||||
<disable_collisions link1="${device_name}gripper_left" link2="${device_name}gripper_right" reason="Never"/>
|
||||
</xacro:macro>
|
||||
</robot>
|
||||
@@ -1,14 +0,0 @@
|
||||
{
|
||||
"arm":
|
||||
{
|
||||
"joint_names": [
|
||||
"arm_base_joint",
|
||||
"arm_link_1_joint",
|
||||
"arm_link_2_joint",
|
||||
"arm_link_3_joint",
|
||||
"gripper_base_joint"
|
||||
],
|
||||
"base_link_name": "device_link",
|
||||
"end_effector_name": "gripper_base"
|
||||
}
|
||||
}
|
||||
@@ -1,29 +0,0 @@
|
||||
# MoveIt uses this configuration for controller management
|
||||
|
||||
moveit_controller_manager: moveit_simple_controller_manager/MoveItSimpleControllerManager
|
||||
|
||||
moveit_simple_controller_manager:
|
||||
controller_names:
|
||||
- arm_controller
|
||||
- gripper_controller
|
||||
|
||||
arm_controller:
|
||||
type: FollowJointTrajectory
|
||||
action_ns: follow_joint_trajectory
|
||||
default: true
|
||||
joints:
|
||||
- arm_base_joint
|
||||
- arm_link_1_joint
|
||||
- arm_link_2_joint
|
||||
- arm_link_3_joint
|
||||
- gripper_base_joint
|
||||
action_ns: follow_joint_trajectory
|
||||
default: true
|
||||
gripper_controller:
|
||||
type: FollowJointTrajectory
|
||||
action_ns: follow_joint_trajectory
|
||||
default: true
|
||||
joints:
|
||||
- gripper_right_joint
|
||||
action_ns: follow_joint_trajectory
|
||||
default: true
|
||||
@@ -1,2 +0,0 @@
|
||||
planner_configs:
|
||||
- ompl_interface/OMPLPlanner
|
||||
@@ -1,6 +0,0 @@
|
||||
# Limits for the Pilz planner
|
||||
cartesian_limits:
|
||||
max_trans_vel: 1.0
|
||||
max_trans_acc: 2.25
|
||||
max_trans_dec: -5.0
|
||||
max_rot_vel: 1.57
|
||||
@@ -1,39 +0,0 @@
|
||||
# This config file is used by ros2_control
|
||||
controller_manager:
|
||||
ros__parameters:
|
||||
update_rate: 100 # Hz
|
||||
|
||||
arm_controller:
|
||||
type: joint_trajectory_controller/JointTrajectoryController
|
||||
|
||||
|
||||
gripper_controller:
|
||||
type: joint_trajectory_controller/JointTrajectoryController
|
||||
|
||||
|
||||
joint_state_broadcaster:
|
||||
type: joint_state_broadcaster/JointStateBroadcaster
|
||||
|
||||
arm_controller:
|
||||
ros__parameters:
|
||||
joints:
|
||||
- arm_base_joint
|
||||
- arm_link_1_joint
|
||||
- arm_link_2_joint
|
||||
- arm_link_3_joint
|
||||
- gripper_base_joint
|
||||
command_interfaces:
|
||||
- position
|
||||
state_interfaces:
|
||||
- position
|
||||
- velocity
|
||||
|
||||
gripper_controller:
|
||||
ros__parameters:
|
||||
joints:
|
||||
- gripper_right_joint
|
||||
command_interfaces:
|
||||
- position
|
||||
state_interfaces:
|
||||
- position
|
||||
- velocity
|
||||
@@ -1,44 +0,0 @@
|
||||
joint_limits:
|
||||
|
||||
arm_base_joint:
|
||||
effort: 50
|
||||
velocity: 1.0
|
||||
lower: 0
|
||||
upper: 1.5
|
||||
|
||||
arm_link_1_joint:
|
||||
effort: 50
|
||||
velocity: 1.0
|
||||
lower: 0
|
||||
upper: 0.6
|
||||
|
||||
arm_link_2_joint:
|
||||
effort: 50
|
||||
velocity: 1.0
|
||||
lower: !degrees -95
|
||||
upper: !degrees 95
|
||||
|
||||
arm_link_3_joint:
|
||||
effort: 50
|
||||
velocity: 1.0
|
||||
lower: !degrees -195
|
||||
upper: !degrees 195
|
||||
|
||||
gripper_base_joint:
|
||||
effort: 50
|
||||
velocity: 1.0
|
||||
lower: !degrees -95
|
||||
upper: !degrees 95
|
||||
|
||||
|
||||
gripper_right_joint:
|
||||
effort: 50
|
||||
velocity: 1.0
|
||||
lower: 0
|
||||
upper: 0.03
|
||||
|
||||
gripper_left_joint:
|
||||
effort: 50
|
||||
velocity: 1.0
|
||||
lower: 0
|
||||
upper: 0.03
|
||||
@@ -1,293 +0,0 @@
|
||||
<?xml version="1.0" ?>
|
||||
<robot xmlns:xacro="http://ros.org/wiki/xacro" name="benyao_arm">
|
||||
|
||||
<xacro:macro name="benyao_arm" params="mesh_path:='' parent_link:='' station_name:='' device_name:='' x:=0 y:=0 z:=0 rx:=0 ry:=0 r:=0">
|
||||
<!-- Read .yaml files from disk, load content into properties -->
|
||||
<xacro:property name= "joint_limit_parameters" value="${xacro.load_yaml(mesh_path + '/devices/benyao_arm/joint_limit.yaml')}"/>
|
||||
|
||||
<!-- Extract subsections from yaml dictionaries -->
|
||||
<xacro:property name= "sec_limits" value="${joint_limit_parameters['joint_limits']}"/>
|
||||
|
||||
<joint name="${station_name}${device_name}base_link_joint" type="fixed">
|
||||
<origin xyz="${x} ${y} ${z}" rpy="${rx} ${ry} ${r}" />
|
||||
<parent link="${parent_link}"/>
|
||||
<child link="${station_name}${device_name}device_link"/>
|
||||
<axis xyz="0 0 0"/>
|
||||
</joint>
|
||||
|
||||
<link name="${station_name}${device_name}device_link"/>
|
||||
<joint name="${station_name}${device_name}device_link_joint" type="fixed">
|
||||
<origin xyz="0 0 0" rpy="0 0 0" />
|
||||
<parent link="${station_name}${device_name}device_link"/>
|
||||
<child link="${station_name}${device_name}arm_slideway"/>
|
||||
<axis xyz="0 0 0"/>
|
||||
</joint>
|
||||
|
||||
<!-- JOINTS LIMIT PARAMETERS -->
|
||||
<xacro:property name="limit_arm_base_joint" value="${sec_limits['arm_base_joint']}" />
|
||||
<xacro:property name="limit_arm_link_1_joint" value="${sec_limits['arm_link_1_joint']}" />
|
||||
<xacro:property name="limit_arm_link_2_joint" value="${sec_limits['arm_link_2_joint']}" />
|
||||
<xacro:property name="limit_arm_link_3_joint" value="${sec_limits['arm_link_3_joint']}" />
|
||||
<xacro:property name="limit_gripper_base_joint" value="${sec_limits['gripper_base_joint']}" />
|
||||
<xacro:property name="limit_gripper_right_joint" value="${sec_limits['gripper_right_joint']}"/>
|
||||
<xacro:property name="limit_gripper_left_joint" value="${sec_limits['gripper_left_joint']}" />
|
||||
<link name="${station_name}${device_name}arm_slideway">
|
||||
<inertial>
|
||||
<origin rpy="0 0 0" xyz="-0.913122246354019 -0.00141851388483838 0.0416079172839272"/>
|
||||
<mass value="13.6578107753627"/>
|
||||
<inertia ixx="0.0507627640890578" ixy="0.0245166532634714" ixz="-0.0112656803168519" iyy="5.2550852314372" iyz="0.000302974193920367" izz="5.26892263696439"/>
|
||||
</inertial>
|
||||
<visual>
|
||||
<origin rpy="0 0 0" xyz="0 0 0"/>
|
||||
<geometry>
|
||||
<mesh filename="file://${mesh_path}/devices/benyao_arm/meshes/arm_slideway.STL"/>
|
||||
</geometry>
|
||||
<material name="">
|
||||
<color rgba="0.752941176470588 0.752941176470588 0.752941176470588 1"/>
|
||||
</material>
|
||||
</visual>
|
||||
<collision>
|
||||
<origin rpy="0 0 0" xyz="0 0 0"/>
|
||||
<geometry>
|
||||
<mesh filename="file://${mesh_path}/devices/benyao_arm/meshes/arm_slideway.STL"/>
|
||||
</geometry>
|
||||
</collision>
|
||||
</link>
|
||||
|
||||
<joint name="${station_name}${device_name}arm_base_joint" type="prismatic">
|
||||
<origin rpy="0 0 0" xyz="0.307 0 0.1225"/>
|
||||
<parent link="${station_name}${device_name}arm_slideway"/>
|
||||
<child link="${station_name}${device_name}arm_base"/>
|
||||
<axis xyz="1 0 0"/>
|
||||
<limit
|
||||
effort="${limit_arm_base_joint['effort']}"
|
||||
lower="${limit_arm_base_joint['lower']}"
|
||||
upper="${limit_arm_base_joint['upper']}"
|
||||
velocity="${limit_arm_base_joint['velocity']}"/>
|
||||
</joint>
|
||||
|
||||
<link name="${station_name}${device_name}arm_base">
|
||||
<inertial>
|
||||
<origin rpy="0 0 0" xyz="1.48458338655733E-06 -0.00831873687136486 0.351728466012153"/>
|
||||
<mass value="16.1341586205194"/>
|
||||
<inertia ixx="0.54871651759045" ixy="7.65476367433116E-07" ixz="2.0515139488158E-07" iyy="0.55113098995396" iyz="-5.13261457726806E-07" izz="0.0619081867727048"/>
|
||||
</inertial>
|
||||
<visual>
|
||||
<origin rpy="0 0 0" xyz="0 0 0"/>
|
||||
<geometry>
|
||||
<mesh filename="file://${mesh_path}/devices/benyao_arm/meshes/arm_base.STL"/>
|
||||
</geometry>
|
||||
<material name="">
|
||||
<color rgba="1 1 1 1"/>
|
||||
</material>
|
||||
</visual>
|
||||
<collision>
|
||||
<origin rpy="0 0 0" xyz="0 0 0"/>
|
||||
<geometry>
|
||||
<mesh filename="file://${mesh_path}/devices/benyao_arm/meshes/arm_base.STL"/>
|
||||
</geometry>
|
||||
</collision>
|
||||
</link>
|
||||
|
||||
<link name="${station_name}${device_name}arm_link_1">
|
||||
<inertial>
|
||||
<origin rpy="0 0 0" xyz="0 -0.0102223856758559 0.0348505130779933"/>
|
||||
<mass value="0.828629227096429"/>
|
||||
<inertia ixx="0.00119703598787112" ixy="-2.46083048832131E-19" ixz="1.43864352731199E-19" iyy="0.00108355785790042" iyz="1.88092240278693E-06" izz="0.00160914803816438"/>
|
||||
</inertial>
|
||||
<visual>
|
||||
<origin rpy="0 0 0" xyz="0 0 0"/>
|
||||
<geometry>
|
||||
<mesh filename="file://${mesh_path}/devices/benyao_arm/meshes/arm_link_1.STL"/>
|
||||
</geometry>
|
||||
<material name="">
|
||||
<color rgba="1 1 1 1"/>
|
||||
</material>
|
||||
</visual>
|
||||
<collision>
|
||||
<origin rpy="0 0 0" xyz="0 0 0"/>
|
||||
<geometry>
|
||||
<mesh filename="file://${mesh_path}/devices/benyao_arm/meshes/arm_link_1.STL"/>
|
||||
</geometry>
|
||||
</collision>
|
||||
</link>
|
||||
<joint name="${station_name}${device_name}arm_link_1_joint" type="prismatic">
|
||||
<origin rpy="0 0 0" xyz="0 0.1249 0.15"/>
|
||||
<parent link="${station_name}${device_name}arm_base"/>
|
||||
<child link="${station_name}${device_name}arm_link_1"/>
|
||||
<axis xyz="0 0 1"/>
|
||||
<limit
|
||||
effort="${limit_arm_link_1_joint['effort']}"
|
||||
lower="${limit_arm_link_1_joint['lower']}"
|
||||
upper="${limit_arm_link_1_joint['upper']}"
|
||||
velocity="${limit_arm_link_1_joint['velocity']}"/>
|
||||
</joint>
|
||||
<link name="${station_name}${device_name}arm_link_2">
|
||||
<inertial>
|
||||
<origin rpy="0 0 0" xyz="-3.33066907387547E-16 0.100000000000003 -0.0325000000000004"/>
|
||||
<mass value="2.04764861029349"/>
|
||||
<inertia ixx="0.0150150059448827" ixy="-1.28113733272213E-17" ixz="6.7561418872754E-19" iyy="0.00262980501315445" iyz="7.44451536320152E-18" izz="0.0162030186138787"/>
|
||||
</inertial>
|
||||
<visual>
|
||||
<origin rpy="0 0 0" xyz="0 0 0"/>
|
||||
<geometry>
|
||||
<mesh filename="file://${mesh_path}/devices/benyao_arm/meshes/arm_link_2.STL"/>
|
||||
</geometry>
|
||||
<material name="">
|
||||
<color rgba="1 1 1 1"/>
|
||||
</material>
|
||||
</visual>
|
||||
<collision>
|
||||
<origin rpy="0 0 0" xyz="0 0 0"/>
|
||||
<geometry>
|
||||
<mesh filename="file://${mesh_path}/devices/benyao_arm/meshes/arm_link_2.STL"/>
|
||||
</geometry>
|
||||
</collision>
|
||||
</link>
|
||||
<joint name="${station_name}${device_name}arm_link_2_joint" type="revolute">
|
||||
<origin rpy="0 0 0" xyz="0 0 0"/>
|
||||
<parent link="${station_name}${device_name}arm_link_1"/>
|
||||
<child link="${station_name}${device_name}arm_link_2"/>
|
||||
<axis xyz="0 0 1"/>
|
||||
<limit
|
||||
effort="${limit_arm_link_2_joint['effort']}"
|
||||
lower="${limit_arm_link_2_joint['lower']}"
|
||||
upper="${limit_arm_link_2_joint['upper']}"
|
||||
velocity="${limit_arm_link_2_joint['velocity']}"/>
|
||||
</joint>
|
||||
<link name="${station_name}${device_name}arm_link_3">
|
||||
<inertial>
|
||||
<origin rpy="0 0 0" xyz="4.77395900588817E-15 0.0861257730831348 -0.0227999999999999"/>
|
||||
<mass value="1.19870202871083"/>
|
||||
<inertia ixx="0.00780783223764428" ixy="7.26567379579506E-18" ixz="1.02766851352053E-18" iyy="0.00109642607170081" iyz="-9.73775385060067E-18" izz="0.0084997384510058"/>
|
||||
</inertial>
|
||||
<visual>
|
||||
<origin rpy="0 0 0" xyz="0 0 0"/>
|
||||
<geometry>
|
||||
<mesh filename="file://${mesh_path}/devices/benyao_arm/meshes/arm_link_3.STL"/>
|
||||
</geometry>
|
||||
<material name="">
|
||||
<color rgba="1 1 1 1"/>
|
||||
</material>
|
||||
</visual>
|
||||
<collision>
|
||||
<origin rpy="0 0 0" xyz="0 0 0"/>
|
||||
<geometry>
|
||||
<mesh filename="file://${mesh_path}/devices/benyao_arm/meshes/arm_link_3.STL"/>
|
||||
</geometry>
|
||||
</collision>
|
||||
</link>
|
||||
<joint name="${station_name}${device_name}arm_link_3_joint" type="revolute">
|
||||
<origin rpy="0 0 0" xyz="0 0.2 -0.0647"/>
|
||||
<parent link="${station_name}${device_name}arm_link_2"/>
|
||||
<child link="${station_name}${device_name}arm_link_3"/>
|
||||
<axis xyz="0 0 1"/>
|
||||
<limit
|
||||
effort="${limit_arm_link_3_joint['effort']}"
|
||||
lower="${limit_arm_link_3_joint['lower']}"
|
||||
upper="${limit_arm_link_3_joint['upper']}"
|
||||
velocity="${limit_arm_link_3_joint['velocity']}"/>
|
||||
</joint>
|
||||
<link name="${station_name}${device_name}gripper_base">
|
||||
<inertial>
|
||||
<origin rpy="0 0 0" xyz="-6.05365748571618E-05 0.0373027483464434 -0.0264392017534612"/>
|
||||
<mass value="0.511925198394943"/>
|
||||
<inertia ixx="0.000640463815051467" ixy="1.08132229596356E-06" ixz="7.165124649009E-07" iyy="0.000552164156414554" iyz="9.80000237347941E-06" izz="0.00103553457812823"/>
|
||||
</inertial>
|
||||
<visual>
|
||||
<origin rpy="0 0 0" xyz="0 0 0"/>
|
||||
<geometry>
|
||||
<mesh filename="file://${mesh_path}/devices/benyao_arm/meshes/gripper_base.STL"/>
|
||||
</geometry>
|
||||
<material name="">
|
||||
<color rgba="1 1 1 1"/>
|
||||
</material>
|
||||
</visual>
|
||||
<collision>
|
||||
<origin rpy="0 0 0" xyz="0 0 0"/>
|
||||
<geometry>
|
||||
<mesh filename="file://${mesh_path}/devices/benyao_arm/meshes/gripper_base.STL"/>
|
||||
</geometry>
|
||||
</collision>
|
||||
</link>
|
||||
<joint name="${station_name}${device_name}gripper_base_joint" type="revolute">
|
||||
<origin rpy="0 0 0" xyz="0 0.2 -0.045"/>
|
||||
<parent link="${station_name}${device_name}arm_link_3"/>
|
||||
<child link="${station_name}${device_name}gripper_base"/>
|
||||
<axis xyz="0 0 1"/>
|
||||
<limit
|
||||
effort="${limit_gripper_base_joint['effort']}"
|
||||
lower="${limit_gripper_base_joint['lower']}"
|
||||
upper="${limit_gripper_base_joint['upper']}"
|
||||
velocity="${limit_gripper_base_joint['velocity']}"/>
|
||||
</joint>
|
||||
<link name="${station_name}${device_name}gripper_right">
|
||||
<inertial>
|
||||
<origin rpy="0 0 0" xyz="0.0340005471193899 0.0339655085140826 -0.0325252119823062"/>
|
||||
<mass value="0.013337481136229"/>
|
||||
<inertia ixx="2.02427962974094E-05" ixy="1.78442722292145E-06" ixz="-4.36485961300289E-07" iyy="1.4816483393622E-06" iyz="2.60539468115799E-06" izz="1.96629693098755E-05"/>
|
||||
</inertial>
|
||||
<visual>
|
||||
<origin rpy="0 0 0" xyz="0 0 0"/>
|
||||
<geometry>
|
||||
<mesh filename="file://${mesh_path}/devices/benyao_arm/meshes/gripper_right.STL"/>
|
||||
</geometry>
|
||||
<material name="">
|
||||
<color rgba="1 1 1 1"/>
|
||||
</material>
|
||||
</visual>
|
||||
<collision>
|
||||
<origin rpy="0 0 0" xyz="0 0 0"/>
|
||||
<geometry>
|
||||
<mesh filename="file://${mesh_path}/devices/benyao_arm/meshes/gripper_right.STL"/>
|
||||
</geometry>
|
||||
</collision>
|
||||
</link>
|
||||
<joint name="${station_name}${device_name}gripper_right_joint" type="prismatic">
|
||||
<origin rpy="0 0 0" xyz="0 0.0942 -0.022277"/>
|
||||
<parent link="${station_name}${device_name}gripper_base"/>
|
||||
<child link="${station_name}${device_name}gripper_right"/>
|
||||
<axis xyz="1 0 0"/>
|
||||
<limit
|
||||
effort="${limit_gripper_right_joint['effort']}"
|
||||
lower="${limit_gripper_right_joint['lower']}"
|
||||
upper="${limit_gripper_right_joint['upper']}"
|
||||
velocity="${limit_gripper_right_joint['velocity']}"/>
|
||||
</joint>
|
||||
<link name="${station_name}${device_name}gripper_left">
|
||||
<inertial>
|
||||
<origin rpy="0 3.1416 0" xyz="-0.0340005471193521 0.0339655081029604 -0.0325252119827364"/>
|
||||
<mass value="0.0133374811362292"/>
|
||||
<inertia ixx="2.02427962974094E-05" ixy="-1.78442720812615E-06" ixz="4.36485961300305E-07" iyy="1.48164833936224E-06" iyz="2.6053946859901E-06" izz="1.96629693098755E-05"/>
|
||||
</inertial>
|
||||
<visual>
|
||||
<origin rpy="0 3.1416 0" xyz="0 0 0"/>
|
||||
<geometry>
|
||||
<mesh filename="file://${mesh_path}/devices/benyao_arm/meshes/gripper_left.STL"/>
|
||||
</geometry>
|
||||
<material name="">
|
||||
<color rgba="1 1 1 1"/>
|
||||
</material>
|
||||
</visual>
|
||||
<collision>
|
||||
<origin rpy="0 3.1416 0" xyz="0 0 0"/>
|
||||
<geometry>
|
||||
<mesh filename="file://${mesh_path}/devices/benyao_arm/meshes/gripper_left.STL"/>
|
||||
</geometry>
|
||||
</collision>
|
||||
</link>
|
||||
<joint name="${station_name}${device_name}gripper_left_joint" type="prismatic">
|
||||
<origin rpy="0 3.1416 0" xyz="0 0.0942 -0.022277"/>
|
||||
<parent link="${station_name}${device_name}gripper_base"/>
|
||||
<child link="${station_name}${device_name}gripper_left"/>
|
||||
<axis xyz="1 0 0"/>
|
||||
<limit
|
||||
effort="${limit_gripper_left_joint['effort']}"
|
||||
lower="${limit_gripper_left_joint['lower']}"
|
||||
upper="${limit_gripper_left_joint['upper']}"
|
||||
velocity="${limit_gripper_left_joint['velocity']}"/>
|
||||
<mimic joint="${station_name}${device_name}gripper_right_joint" multiplier="1" />
|
||||
</joint>
|
||||
|
||||
</xacro:macro>
|
||||
</robot>
|
||||
Binary file not shown.
Binary file not shown.
Binary file not shown.
Binary file not shown.
Binary file not shown.
Binary file not shown.
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Binary file not shown.
@@ -0,0 +1,43 @@
|
||||
kinematics:
|
||||
shoulder:
|
||||
x: 0
|
||||
y: 0
|
||||
z: 0.1930
|
||||
roll: 0
|
||||
pitch: 0
|
||||
yaw: 0
|
||||
upperarm:
|
||||
x: 0
|
||||
y: 0
|
||||
z: 0
|
||||
roll: 1.570796326589793
|
||||
pitch: 0
|
||||
yaw: 0
|
||||
forearm:
|
||||
x: -0.6150
|
||||
y: 0
|
||||
z: 0
|
||||
roll: 0
|
||||
pitch: 0
|
||||
yaw: 0
|
||||
wrist_1:
|
||||
x: -0.5710
|
||||
y: 0
|
||||
z: 0.1775
|
||||
roll: 0
|
||||
pitch: 0
|
||||
yaw: 0
|
||||
wrist_2:
|
||||
x: 0
|
||||
y: -0.1180
|
||||
z: 0
|
||||
roll: 1.570796326589793
|
||||
pitch: 0
|
||||
yaw: 0
|
||||
wrist_3:
|
||||
x: 0
|
||||
y: 0.1103
|
||||
z: 0
|
||||
roll: -1.570796326589793
|
||||
pitch: 0
|
||||
yaw: 0
|
||||
@@ -0,0 +1,61 @@
|
||||
joint_limits:
|
||||
shoulder_pan_joint:
|
||||
# acceleration limits are not publicly available
|
||||
has_acceleration_limits: false
|
||||
has_effort_limits: true
|
||||
has_position_limits: true
|
||||
has_velocity_limits: true
|
||||
max_effort: 330.0
|
||||
max_position: !degrees 360.0
|
||||
max_velocity: !degrees 120.0
|
||||
min_position: !degrees -360.0
|
||||
shoulder_lift_joint:
|
||||
# acceleration limits are not publicly available
|
||||
has_acceleration_limits: false
|
||||
has_effort_limits: true
|
||||
has_position_limits: true
|
||||
has_velocity_limits: true
|
||||
max_effort: 330.0
|
||||
max_position: !degrees 360.0
|
||||
max_velocity: !degrees 120.0
|
||||
min_position: !degrees -360.0
|
||||
elbow_joint:
|
||||
# acceleration limits are not publicly available
|
||||
has_acceleration_limits: false
|
||||
has_effort_limits: true
|
||||
has_position_limits: true
|
||||
has_velocity_limits: true
|
||||
max_effort: 150.0
|
||||
max_position: !degrees 180.0
|
||||
max_velocity: !degrees 180.0
|
||||
min_position: !degrees -180.0
|
||||
wrist_1_joint:
|
||||
# acceleration limits are not publicly available
|
||||
has_acceleration_limits: false
|
||||
has_effort_limits: true
|
||||
has_position_limits: true
|
||||
has_velocity_limits: true
|
||||
max_effort: 56.0
|
||||
max_position: !degrees 360.0
|
||||
max_velocity: !degrees 180.0
|
||||
min_position: !degrees -360.0
|
||||
wrist_2_joint:
|
||||
# acceleration limits are not publicly available
|
||||
has_acceleration_limits: false
|
||||
has_effort_limits: true
|
||||
has_position_limits: true
|
||||
has_velocity_limits: true
|
||||
max_effort: 56.0
|
||||
max_position: !degrees 360.0
|
||||
max_velocity: !degrees 180.0
|
||||
min_position: !degrees -360.0
|
||||
wrist_3_joint:
|
||||
# acceleration limits are not publicly available
|
||||
has_acceleration_limits: false
|
||||
has_effort_limits: true
|
||||
has_position_limits: true
|
||||
has_velocity_limits: true
|
||||
max_effort: 56.0
|
||||
max_position: !degrees 360.0
|
||||
max_velocity: !degrees 180.0
|
||||
min_position: !degrees -360.0
|
||||
@@ -0,0 +1,99 @@
|
||||
# Physical parameters
|
||||
|
||||
dh_parameters:
|
||||
d1: 0.1930
|
||||
a2: -0.6150
|
||||
a3: -0.5710
|
||||
d4: 0.1775
|
||||
d5: 0.1180
|
||||
d6: 0.1103
|
||||
|
||||
inertia_parameters:
|
||||
base_mass: 0.94888 # base mass, base inertia, base cog might be incorrect
|
||||
shoulder_mass: 6.83
|
||||
upperarm_mass: 13.037
|
||||
forearm_mass: 4.827
|
||||
wrist_1_mass: 2.315
|
||||
wrist_2_mass: 2.195
|
||||
wrist_3_mass: 0.616
|
||||
|
||||
inertia:
|
||||
base:
|
||||
ixx: 0.0029607
|
||||
ixy: -1.019E-06
|
||||
ixz: 5.2685E-06
|
||||
iyy: 0.0026222
|
||||
iyz: -2.8951E-06
|
||||
izz: 0.0039906
|
||||
shoulder:
|
||||
ixx: 0.039228
|
||||
ixy: -2.8388E-05
|
||||
ixz: 3.9289E-05
|
||||
iyy: 0.025078
|
||||
iyz: -0.00028825
|
||||
izz: 0.037499
|
||||
upperarm:
|
||||
ixx: 0.3734
|
||||
ixy: -5.985E-05
|
||||
ixz: -0.5014
|
||||
iyy: 2.0187
|
||||
iyz: -0.00013287
|
||||
izz: 1.681
|
||||
forearm:
|
||||
ixx: 0.030106
|
||||
ixy: -1.25E-05
|
||||
ixz: -0.076554
|
||||
iyy: 0.76404
|
||||
iyz: 1.326E-06
|
||||
izz: 0.7421
|
||||
wrist_1:
|
||||
ixx: 0.0060891
|
||||
ixy: 1.219E-06
|
||||
ixz: -4.067E-06
|
||||
iyy: 0.0049703
|
||||
iyz: -1.2747E-05
|
||||
izz: 0.0033067
|
||||
wrist_2:
|
||||
ixx: 0.004638045
|
||||
ixy: 1.311E-06
|
||||
ixz: 3.829E-06
|
||||
iyy: 0.003507337
|
||||
iyz: 1.4183E-05
|
||||
izz: 0.003129668
|
||||
wrist_3:
|
||||
ixx: 0.0016942
|
||||
ixy: 1.27E-07
|
||||
ixz: 1.9782E-05
|
||||
iyy: 0.0017123
|
||||
iyz: 7.7E-06
|
||||
izz: 0.0005701
|
||||
|
||||
center_of_mass:
|
||||
base_cog:
|
||||
x: 5.6715E-05
|
||||
y: -0.00010524
|
||||
z: 0.065979
|
||||
shoulder_cog:
|
||||
x: 9.3E-05
|
||||
y: -0.02697
|
||||
z: -0.02115
|
||||
upperarm_cog:
|
||||
x: -0.2304
|
||||
y: -3.9E-05
|
||||
z: 0.16068
|
||||
forearm_cog:
|
||||
x: -0.2998
|
||||
y: 1.3E-05
|
||||
z: 0.06176
|
||||
wrist_1_cog:
|
||||
x: 1.0E-05
|
||||
y: -0.0148
|
||||
z: -0.01682
|
||||
wrist_2_cog:
|
||||
x: -1.3E-05
|
||||
y: 0.015559
|
||||
z: -0.011803
|
||||
wrist_3_cog:
|
||||
x: -0.001704
|
||||
y: -0.000705
|
||||
z: -0.039231
|
||||
@@ -0,0 +1,92 @@
|
||||
mesh_files:
|
||||
base:
|
||||
visual:
|
||||
mesh:
|
||||
package: eli_cs_robot_description
|
||||
path: meshes/cs612/visual/base.dae
|
||||
material:
|
||||
name: "LightGrey"
|
||||
color: "0.7 0.7 0.7 1.0"
|
||||
collision:
|
||||
mesh:
|
||||
package: eli_cs_robot_description
|
||||
path: meshes/cs612/collision/base.stl
|
||||
|
||||
shoulder:
|
||||
visual:
|
||||
mesh:
|
||||
package: eli_cs_robot_description
|
||||
path: meshes/cs612/visual/shoulder.dae
|
||||
material:
|
||||
name: "LightGrey"
|
||||
color: "0.7 0.7 0.7 1.0"
|
||||
collision:
|
||||
mesh:
|
||||
package: eli_cs_robot_description
|
||||
path: meshes/cs612/collision/shoulder.stl
|
||||
|
||||
upperarm:
|
||||
visual:
|
||||
mesh:
|
||||
package: eli_cs_robot_description
|
||||
path: meshes/cs612/visual/upperarm.dae
|
||||
material:
|
||||
name: "LightGrey"
|
||||
color: "0.7 0.7 0.7 1.0"
|
||||
collision:
|
||||
mesh:
|
||||
package: eli_cs_robot_description
|
||||
path: meshes/cs612/collision/upperarm.stl
|
||||
mesh_files:
|
||||
|
||||
forearm:
|
||||
visual:
|
||||
mesh:
|
||||
package: eli_cs_robot_description
|
||||
path: meshes/cs612/visual/forearm.dae
|
||||
material:
|
||||
name: "LightGrey"
|
||||
color: "0.7 0.7 0.7 1.0"
|
||||
collision:
|
||||
mesh:
|
||||
package: eli_cs_robot_description
|
||||
path: meshes/cs612/collision/forearm.stl
|
||||
|
||||
wrist_1:
|
||||
visual:
|
||||
mesh:
|
||||
package: eli_cs_robot_description
|
||||
path: meshes/cs612/visual/wrist1.dae
|
||||
material:
|
||||
name: "LightGrey"
|
||||
color: "0.7 0.7 0.7 1.0"
|
||||
collision:
|
||||
mesh:
|
||||
package: eli_cs_robot_description
|
||||
path: meshes/cs612/collision/wrist1.stl
|
||||
|
||||
wrist_2:
|
||||
visual:
|
||||
mesh:
|
||||
package: eli_cs_robot_description
|
||||
path: meshes/cs612/visual/wrist2.dae
|
||||
material:
|
||||
name: "LightGrey"
|
||||
color: "0.7 0.7 0.7 1.0"
|
||||
collision:
|
||||
mesh:
|
||||
package: eli_cs_robot_description
|
||||
path: meshes/cs612/collision/wrist2.stl
|
||||
|
||||
wrist_3:
|
||||
visual:
|
||||
mesh:
|
||||
package: eli_cs_robot_description
|
||||
path: meshes/cs612/visual/wrist3.dae
|
||||
material:
|
||||
name: "LightGrey"
|
||||
color: "0.7 0.7 0.7 1.0"
|
||||
collision:
|
||||
mesh:
|
||||
package: eli_cs_robot_description
|
||||
path: meshes/cs612/collision/wrist3.stl
|
||||
@@ -0,0 +1,43 @@
|
||||
kinematics:
|
||||
shoulder:
|
||||
x: 0
|
||||
y: 0
|
||||
z: 0.1930
|
||||
roll: 0
|
||||
pitch: 0
|
||||
yaw: 0
|
||||
upperarm:
|
||||
x: 0
|
||||
y: 0
|
||||
z: 0
|
||||
roll: 1.570796326589793
|
||||
pitch: 0
|
||||
yaw: 0
|
||||
forearm:
|
||||
x: -0.5520
|
||||
y: 0
|
||||
z: 0
|
||||
roll: 0
|
||||
pitch: 0
|
||||
yaw: 0
|
||||
wrist_1:
|
||||
x: -0.4300
|
||||
y: 0
|
||||
z: 0.1775
|
||||
roll: 0
|
||||
pitch: 0
|
||||
yaw: 0
|
||||
wrist_2:
|
||||
x: 0
|
||||
y: -0.1180
|
||||
z: 0
|
||||
roll: 1.570796326589793
|
||||
pitch: 0
|
||||
yaw: 0
|
||||
wrist_3:
|
||||
x: 0
|
||||
y: 0.1103
|
||||
z: 0
|
||||
roll: -1.570796326589793
|
||||
pitch: 0
|
||||
yaw: 0
|
||||
@@ -0,0 +1,61 @@
|
||||
joint_limits:
|
||||
shoulder_pan_joint:
|
||||
# acceleration limits are not publicly available
|
||||
has_acceleration_limits: false
|
||||
has_effort_limits: true
|
||||
has_position_limits: true
|
||||
has_velocity_limits: true
|
||||
max_effort: 330.0
|
||||
max_position: !degrees 360.0
|
||||
max_velocity: !degrees 120.0
|
||||
min_position: !degrees -360.0
|
||||
shoulder_lift_joint:
|
||||
# acceleration limits are not publicly available
|
||||
has_acceleration_limits: false
|
||||
has_effort_limits: true
|
||||
has_position_limits: true
|
||||
has_velocity_limits: true
|
||||
max_effort: 330.0
|
||||
max_position: !degrees 360.0
|
||||
max_velocity: !degrees 120.0
|
||||
min_position: !degrees -360.0
|
||||
elbow_joint:
|
||||
# acceleration limits are not publicly available
|
||||
has_acceleration_limits: false
|
||||
has_effort_limits: true
|
||||
has_position_limits: true
|
||||
has_velocity_limits: true
|
||||
max_effort: 150.0
|
||||
max_position: !degrees 180.0
|
||||
max_velocity: !degrees 180.0
|
||||
min_position: !degrees -180.0
|
||||
wrist_1_joint:
|
||||
# acceleration limits are not publicly available
|
||||
has_acceleration_limits: false
|
||||
has_effort_limits: true
|
||||
has_position_limits: true
|
||||
has_velocity_limits: true
|
||||
max_effort: 56.0
|
||||
max_position: !degrees 360.0
|
||||
max_velocity: !degrees 180.0
|
||||
min_position: !degrees -360.0
|
||||
wrist_2_joint:
|
||||
# acceleration limits are not publicly available
|
||||
has_acceleration_limits: false
|
||||
has_effort_limits: true
|
||||
has_position_limits: true
|
||||
has_velocity_limits: true
|
||||
max_effort: 56.0
|
||||
max_position: !degrees 360.0
|
||||
max_velocity: !degrees 180.0
|
||||
min_position: !degrees -360.0
|
||||
wrist_3_joint:
|
||||
# acceleration limits are not publicly available
|
||||
has_acceleration_limits: false
|
||||
has_effort_limits: true
|
||||
has_position_limits: true
|
||||
has_velocity_limits: true
|
||||
max_effort: 56.0
|
||||
max_position: !degrees 360.0
|
||||
max_velocity: !degrees 180.0
|
||||
min_position: !degrees -360.0
|
||||
@@ -0,0 +1,99 @@
|
||||
# Physical parameters
|
||||
|
||||
dh_parameters:
|
||||
d1: 0.1930
|
||||
a2: -0.5520
|
||||
a3: -0.4300
|
||||
d4: 0.1775
|
||||
d5: 0.1180
|
||||
d6: 0.1103
|
||||
|
||||
inertia_parameters:
|
||||
base_mass: 0.94888 # base mass, base inertia, base cog might be incorrect
|
||||
shoulder_mass: 6.83
|
||||
upperarm_mass: 13.00
|
||||
forearm_mass: 4.700
|
||||
wrist_1_mass: 2.315
|
||||
wrist_2_mass: 2.195
|
||||
wrist_3_mass: 0.616
|
||||
|
||||
inertia:
|
||||
base:
|
||||
ixx: 0.0029607
|
||||
ixy: -1.019E-06
|
||||
ixz: 5.2685E-06
|
||||
iyy: 0.0026222
|
||||
iyz: -2.8951E-06
|
||||
izz: 0.0039906
|
||||
shoulder:
|
||||
ixx: 0.039229834
|
||||
ixy: -2.8388E-05
|
||||
ixz: 3.9289E-05
|
||||
iyy: 0.025077817
|
||||
iyz: -0.000288247
|
||||
izz: 0.03749924
|
||||
upperarm:
|
||||
ixx: 0.373432462
|
||||
ixy: -5.5512E-05
|
||||
ixz: -0.451785393
|
||||
iyy: 1.696418762
|
||||
iyz: -0.000133438
|
||||
izz: 1.358657204
|
||||
forearm:
|
||||
ixx: 0.030213183
|
||||
ixy: -8.368E-06
|
||||
ixz: -0.056600087
|
||||
iyy: 0.434775735
|
||||
iyz: 1.585E-06
|
||||
izz: 0.412836422
|
||||
wrist_1:
|
||||
ixx: 0.006091086
|
||||
ixy: 1.256E-06
|
||||
ixz: -4.067E-06
|
||||
iyy: 0.004972529
|
||||
iyz: -1.2709E-05
|
||||
izz: 0.003307235
|
||||
wrist_2:
|
||||
ixx: 0.004639166
|
||||
ixy: 1.311E-06
|
||||
ixz: 3.829E-06
|
||||
iyy: 0.003508643
|
||||
iyz: 1.4183E-05
|
||||
izz: 0.003130199
|
||||
wrist_3:
|
||||
ixx: 0.001695059
|
||||
ixy: 1.27E-07
|
||||
ixz: 1.9782E-05
|
||||
iyy: 0.001713327
|
||||
iyz: 7.7E-06
|
||||
izz: 0.000570629
|
||||
|
||||
center_of_mass:
|
||||
base_cog:
|
||||
x: 5.6715E-05
|
||||
y: -0.00010524
|
||||
z: 0.065979
|
||||
shoulder_cog:
|
||||
x: 9.3E-05
|
||||
y: -0.02697
|
||||
z: -0.02115
|
||||
upperarm_cog:
|
||||
x: -0.2069
|
||||
y: -4.4E-05
|
||||
z: 0.16068
|
||||
forearm_cog:
|
||||
x: -0.2303
|
||||
y: 1.5E-05
|
||||
z: 0.06220
|
||||
wrist_1_cog:
|
||||
x: 1.0E-05
|
||||
y: -0.0148
|
||||
z: -0.01682
|
||||
wrist_2_cog:
|
||||
x: -1.3E-05
|
||||
y: 0.015559
|
||||
z: -0.011803
|
||||
wrist_3_cog:
|
||||
x: -0.001704
|
||||
y: -0.000705
|
||||
z: -0.039231
|
||||
@@ -0,0 +1,92 @@
|
||||
mesh_files:
|
||||
base:
|
||||
visual:
|
||||
mesh:
|
||||
package: eli_cs_robot_description
|
||||
path: meshes/cs616/visual/base.dae
|
||||
material:
|
||||
name: "LightGrey"
|
||||
color: "0.7 0.7 0.7 1.0"
|
||||
collision:
|
||||
mesh:
|
||||
package: eli_cs_robot_description
|
||||
path: meshes/cs616/collision/base.stl
|
||||
|
||||
shoulder:
|
||||
visual:
|
||||
mesh:
|
||||
package: eli_cs_robot_description
|
||||
path: meshes/cs616/visual/shoulder.dae
|
||||
material:
|
||||
name: "LightGrey"
|
||||
color: "0.7 0.7 0.7 1.0"
|
||||
collision:
|
||||
mesh:
|
||||
package: eli_cs_robot_description
|
||||
path: meshes/cs616/collision/shoulder.stl
|
||||
|
||||
upperarm:
|
||||
visual:
|
||||
mesh:
|
||||
package: eli_cs_robot_description
|
||||
path: meshes/cs616/visual/upperarm.dae
|
||||
material:
|
||||
name: "LightGrey"
|
||||
color: "0.7 0.7 0.7 1.0"
|
||||
collision:
|
||||
mesh:
|
||||
package: eli_cs_robot_description
|
||||
path: meshes/cs616/collision/upperarm.stl
|
||||
mesh_files:
|
||||
|
||||
forearm:
|
||||
visual:
|
||||
mesh:
|
||||
package: eli_cs_robot_description
|
||||
path: meshes/cs616/visual/forearm.dae
|
||||
material:
|
||||
name: "LightGrey"
|
||||
color: "0.7 0.7 0.7 1.0"
|
||||
collision:
|
||||
mesh:
|
||||
package: eli_cs_robot_description
|
||||
path: meshes/cs616/collision/forearm.stl
|
||||
|
||||
wrist_1:
|
||||
visual:
|
||||
mesh:
|
||||
package: eli_cs_robot_description
|
||||
path: meshes/cs616/visual/wrist1.dae
|
||||
material:
|
||||
name: "LightGrey"
|
||||
color: "0.7 0.7 0.7 1.0"
|
||||
collision:
|
||||
mesh:
|
||||
package: eli_cs_robot_description
|
||||
path: meshes/cs616/collision/wrist1.stl
|
||||
|
||||
wrist_2:
|
||||
visual:
|
||||
mesh:
|
||||
package: eli_cs_robot_description
|
||||
path: meshes/cs616/visual/wrist2.dae
|
||||
material:
|
||||
name: "LightGrey"
|
||||
color: "0.7 0.7 0.7 1.0"
|
||||
collision:
|
||||
mesh:
|
||||
package: eli_cs_robot_description
|
||||
path: meshes/cs616/collision/wrist2.stl
|
||||
|
||||
wrist_3:
|
||||
visual:
|
||||
mesh:
|
||||
package: eli_cs_robot_description
|
||||
path: meshes/cs616/visual/wrist3.dae
|
||||
material:
|
||||
name: "LightGrey"
|
||||
color: "0.7 0.7 0.7 1.0"
|
||||
collision:
|
||||
mesh:
|
||||
package: eli_cs_robot_description
|
||||
path: meshes/cs616/collision/wrist3.stl
|
||||
@@ -0,0 +1,43 @@
|
||||
kinematics:
|
||||
shoulder:
|
||||
x: 0
|
||||
y: 0
|
||||
z: 0.2350
|
||||
roll: 0
|
||||
pitch: 0
|
||||
yaw: 0
|
||||
upperarm:
|
||||
x: 0
|
||||
y: 0
|
||||
z: 0
|
||||
roll: 1.570796326589793
|
||||
pitch: 0
|
||||
yaw: 0
|
||||
forearm:
|
||||
x: -0.9000
|
||||
y: 0
|
||||
z: 0
|
||||
roll: 0
|
||||
pitch: 0
|
||||
yaw: 0
|
||||
wrist_1:
|
||||
x: -0.7720
|
||||
y: 0
|
||||
z: 0.1725
|
||||
roll: 0
|
||||
pitch: 0
|
||||
yaw: 0
|
||||
wrist_2:
|
||||
x: 0
|
||||
y: -0.1280
|
||||
z: 0
|
||||
roll: 1.570796326589793
|
||||
pitch: 0
|
||||
yaw: 0
|
||||
wrist_3:
|
||||
x: 0
|
||||
y: 0.1250
|
||||
z: 0
|
||||
roll: -1.570796326589793
|
||||
pitch: 0
|
||||
yaw: 0
|
||||
Some files were not shown because too many files have changed in this diff Show More
Reference in New Issue
Block a user