from typing import List, Dict, Any import networkx as nx def generate_wash_solid_protocol( G: nx.DiGraph, vessel: str, solvent: str, volume: float, filtrate_vessel: str = "", temp: float = 25.0, stir: bool = False, stir_speed: float = 0.0, time: float = 0.0, repeats: int = 1 ) -> List[Dict[str, Any]]: """ 生成固体清洗的协议序列 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 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 ) """ 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") 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 # 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", "action_kwargs": { "vessel": vessel, "temp": temp, "purpose": f"固体清洗 - 第 {repeat_num} 次" } }) # 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 } }) # 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 } }) return action_sequence