Add Mock Device for Organic Synthesis\添加有机合成的虚拟仪器和Protocol (#43)

* Add Device MockChiller

Add device MockChiller

* Add Device MockFilter

* Add Device MockPump

* Add Device MockRotavap

* Add Device MockSeparator

* Add Device MockStirrer

* Add Device MockHeater

* Add Device MockVacuum

* Add Device MockSolenoidValve

* Add Device Mock \_init_.py

* 规范模拟设备代码与注册表信息

* 更改Mock大写文件夹名

* 删除大写目录

* Edited Mock device json

* Match mock device with action

* Edit mock device yaml

* Add new action

* Add Virtual Device, Action, YAML, Protocol for Organic Syn

* 单独分类测试的protocol文件夹

* 更名Action

---------

Co-authored-by: Xuwznln <18435084+Xuwznln@users.noreply.github.com>
This commit is contained in:
Kongchang Feng
2025-06-12 20:58:39 +08:00
committed by GitHub
parent d7d0a27976
commit 96f37b3b0d
81 changed files with 11387 additions and 114 deletions

View File

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from typing import List, Dict, Any
import networkx as nx
def generate_transfer_protocol(
G: nx.DiGraph,
from_vessel: str,
to_vessel: str,
volume: float,
amount: str = "",
time: float = 0,
viscous: bool = False,
rinsing_solvent: str = "",
rinsing_volume: float = 0.0,
rinsing_repeats: int = 0,
solid: bool = False
) -> List[Dict[str, Any]]:
"""
生成液体转移操作的协议序列
Args:
G: 有向图,节点为设备和容器
from_vessel: 源容器
to_vessel: 目标容器
volume: 转移体积 (mL)
amount: 数量描述 (可选)
time: 转移时间 (秒,可选)
viscous: 是否为粘性液体
rinsing_solvent: 冲洗溶剂 (可选)
rinsing_volume: 冲洗体积 (mL可选)
rinsing_repeats: 冲洗重复次数
solid: 是否涉及固体
Returns:
List[Dict[str, Any]]: 转移操作的动作序列
Raises:
ValueError: 当找不到合适的转移设备时抛出异常
Examples:
transfer_protocol = generate_transfer_protocol(G, "flask_1", "reactor", 10.0)
"""
action_sequence = []
# 查找虚拟转移泵设备用于液体转移 - 修复:应该查找 virtual_transfer_pump
pump_nodes = [node for node in G.nodes()
if G.nodes[node].get('class') == 'virtual_transfer_pump']
if not pump_nodes:
raise ValueError("没有找到可用的转移泵设备进行液体转移")
# 使用第一个可用的泵
pump_id = pump_nodes[0]
# 验证容器是否存在
if from_vessel not in G.nodes():
raise ValueError(f"源容器 {from_vessel} 不存在于图中")
if to_vessel not in G.nodes():
raise ValueError(f"目标容器 {to_vessel} 不存在于图中")
# 执行液体转移操作 - 参数完全匹配Transfer.action
action_sequence.append({
"device_id": pump_id,
"action_name": "transfer",
"action_kwargs": {
"from_vessel": from_vessel,
"to_vessel": to_vessel,
"volume": volume,
"amount": amount,
"time": time,
"viscous": viscous,
"rinsing_solvent": rinsing_solvent,
"rinsing_volume": rinsing_volume,
"rinsing_repeats": rinsing_repeats,
"solid": solid
}
})
return action_sequence