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https://github.com/dptech-corp/Uni-Lab-OS.git
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96f37b3b0d
* 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>
102 lines
3.2 KiB
Python
102 lines
3.2 KiB
Python
from typing import List, Dict, Any
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import networkx as nx
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def generate_run_column_protocol(
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G: nx.DiGraph,
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from_vessel: str,
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to_vessel: str,
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column: str
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) -> List[Dict[str, Any]]:
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"""
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生成柱层析分离的协议序列
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Args:
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G: 有向图，节点为设备和容器
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from_vessel: 源容器的名称，即样品起始所在的容器
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to_vessel: 目标容器的名称，分离后的样品要到达的容器
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column: 所使用的柱子的名称
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Returns:
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List[Dict[str, Any]]: 柱层析分离操作的动作序列
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Raises:
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ValueError: 当找不到必要的设备时抛出异常
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Examples:
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run_column_protocol = generate_run_column_protocol(G, "reactor", "collection_flask", "silica_column")
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"""
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action_sequence = []
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# 验证容器是否存在
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if from_vessel not in G.nodes():
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raise ValueError(f"源容器 {from_vessel} 不存在于图中")
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if to_vessel not in G.nodes():
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raise ValueError(f"目标容器 {to_vessel} 不存在于图中")
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# 查找转移泵设备（用于样品转移）
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pump_nodes = [node for node in G.nodes()
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if G.nodes[node].get('class') == 'virtual_transfer_pump']
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if not pump_nodes:
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raise ValueError("没有找到可用的转移泵设备")
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pump_id = pump_nodes[0]
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# 查找柱层析设备
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column_nodes = [node for node in G.nodes()
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if G.nodes[node].get('class') == 'virtual_column']
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if not column_nodes:
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raise ValueError("没有找到可用的柱层析设备")
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column_id = column_nodes[0]
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# 步骤1：将样品从源容器转移到柱子上
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action_sequence.append({
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"device_id": pump_id,
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"action_name": "transfer",
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"action_kwargs": {
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"from_vessel": from_vessel,
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"to_vessel": column_id, # 将样品转移到柱子设备
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"volume": 0.0, # 转移所有液体，体积由系统确定
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"amount": f"样品上柱 - 使用 {column}",
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"time": 0.0,
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"viscous": False,
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"rinsing_solvent": "",
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"rinsing_volume": 0.0,
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"rinsing_repeats": 0,
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"solid": False
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}
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})
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# 步骤2：运行柱层析分离
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action_sequence.append({
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"device_id": column_id,
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"action_name": "run_column",
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"action_kwargs": {
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"from_vessel": from_vessel,
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"to_vessel": to_vessel,
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"column": column
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}
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})
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# 步骤3：将分离后的产物从柱子转移到目标容器
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action_sequence.append({
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"device_id": pump_id,
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"action_name": "transfer",
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"action_kwargs": {
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"from_vessel": column_id, # 从柱子设备转移
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"to_vessel": to_vessel,
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"volume": 0.0, # 转移所有液体，体积由系统确定
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"amount": f"收集分离产物 - 来自 {column}",
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"time": 0.0,
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"viscous": False,
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"rinsing_solvent": "",
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"rinsing_volume": 0.0,
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"rinsing_repeats": 0,
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"solid": False
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}
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})
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return action_sequence |