from typing import List, Dict, Any import networkx as nx import logging import sys 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 find_solvent_source(G: nx.DiGraph, solvent: str) -> str: """查找溶剂源容器""" debug_print(f"查找溶剂 '{solvent}' 的源容器...") # 可能的溶剂容器名称 possible_names = [ f"flask_{solvent}", f"reagent_bottle_{solvent}", f"bottle_{solvent}", f"container_{solvent}", f"source_{solvent}" ] for name in possible_names: if name in G.nodes(): debug_print(f"找到溶剂容器: {name}") return name # 查找通用容器 generic_containers = [ "reagent_bottle_1", "reagent_bottle_2", "flask_1", "flask_2", "solvent_bottle" ] for container in generic_containers: if container in G.nodes(): debug_print(f"使用通用容器: {container}") return container debug_print("未找到溶剂容器，使用默认容器") return f"flask_{solvent}" def find_filtrate_vessel(G: nx.DiGraph, filtrate_vessel: str = "") -> str: """查找滤液收集容器""" debug_print(f"查找滤液收集容器，指定容器: '{filtrate_vessel}'") # 如果指定了容器且存在，直接使用 if filtrate_vessel and filtrate_vessel.strip(): if filtrate_vessel in G.nodes(): debug_print(f"使用指定的滤液容器: {filtrate_vessel}") return filtrate_vessel else: debug_print(f"指定的滤液容器 '{filtrate_vessel}' 不存在，查找默认容器") # 自动查找滤液容器 possible_names = [ "waste_workup", # 废液收集 "filtrate_vessel", # 标准滤液容器 "collection_bottle_1", # 收集瓶 "collection_bottle_2", # 收集瓶 "rotavap", # 旋蒸仪 "waste_flask", # 废液瓶 "flask_1", # 通用烧瓶 "flask_2" # 通用烧瓶 ] for vessel_name in possible_names: if vessel_name in G.nodes(): debug_print(f"找到滤液收集容器: {vessel_name}") return vessel_name debug_print("未找到滤液收集容器，使用默认容器") return "waste_workup" def find_pump_device(G: nx.DiGraph) -> str: """查找转移泵设备""" debug_print("查找转移泵设备...") pump_devices = [] for node in G.nodes(): node_data = G.nodes[node] node_class = node_data.get('class', '') or '' if 'transfer_pump' in node_class or 'virtual_transfer_pump' in node_class: pump_devices.append(node) debug_print(f"找到转移泵设备: {node}") if pump_devices: return pump_devices[0] debug_print("未找到转移泵设备，使用默认设备") return "transfer_pump_1" def find_filter_device(G: nx.DiGraph) -> str: """查找过滤器设备""" debug_print("查找过滤器设备...") filter_devices = [] for node in G.nodes(): node_data = G.nodes[node] node_class = node_data.get('class', '') or '' if 'filter' in node_class.lower() or 'virtual_filter' in node_class: filter_devices.append(node) debug_print(f"找到过滤器设备: {node}") if filter_devices: return filter_devices[0] debug_print("未找到过滤器设备，使用默认设备") return "filter_1" 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, **kwargs # 🔧 接受额外参数，增强兼容性 ) -> List[Dict[str, Any]]: """ 生成固体清洗操作的协议序列 - 简化版本 Args: G: 设备图 vessel: 装有固体的容器名称（必需） solvent: 清洗溶剂名称（必需） volume: 清洗溶剂体积（必需） filtrate_vessel: 滤液收集容器（可选，自动查找） temp: 清洗温度，默认25°C stir: 是否搅拌，默认False stir_speed: 搅拌速度，默认0 time: 清洗时间，默认0 repeats: 重复次数，默认1 **kwargs: 其他参数（兼容性） Returns: List[Dict[str, Any]]: 固体清洗操作的动作序列 """ debug_print("=" * 50) debug_print("开始生成固体清洗协议") debug_print(f"输入参数:") debug_print(f" - vessel: {vessel}") debug_print(f" - solvent: {solvent}") debug_print(f" - volume: {volume}mL") debug_print(f" - filtrate_vessel: {filtrate_vessel}") debug_print(f" - temp: {temp}°C") debug_print(f" - stir: {stir}") debug_print(f" - stir_speed: {stir_speed} RPM") debug_print(f" - time: {time}s") debug_print(f" - repeats: {repeats}") debug_print(f" - 其他参数: {kwargs}") debug_print("=" * 50) action_sequence = [] # === 参数验证 === debug_print("步骤1: 参数验证...") # 验证必需参数 if not vessel: raise ValueError("vessel 参数不能为空") if not solvent: raise ValueError("solvent 参数不能为空") if volume <= 0: raise ValueError("volume 必须大于0") if vessel not in G.nodes(): raise ValueError(f"容器 '{vessel}' 不存在于系统中") # 修正参数范围 if temp < 0 or temp > 200: debug_print(f"温度 {temp}°C 超出范围，修正为 25°C") temp = 25.0 if stir_speed < 0 or stir_speed > 500: debug_print(f"搅拌速度 {stir_speed} RPM 超出范围，修正为 0") stir_speed = 0.0 if time < 0: debug_print(f"时间 {time}s 无效，修正为 0") time = 0.0 if repeats < 1: debug_print(f"重复次数 {repeats} 无效，修正为 1") repeats = 1 elif repeats > 10: debug_print(f"重复次数 {repeats} 过多，修正为 10") repeats = 10 debug_print(f"✅ 参数验证通过") # === 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) pump_device = find_pump_device(G) filter_device = find_filter_device(G) debug_print(f"设备配置:") debug_print(f" - 溶剂源: {solvent_source}") debug_print(f" - 滤液容器: {actual_filtrate_vessel}") debug_print(f" - 转移泵: {pump_device}") debug_print(f" - 过滤器: {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)}") # === 执行清洗循环 === debug_print("步骤3: 执行清洗循环...") for cycle in range(repeats): debug_print(f"=== 第 {cycle+1}/{repeats} 次清洗 ===") # 添加清洗溶剂 debug_print(f"添加清洗溶剂: {solvent_source} -> {vessel}") wash_action = { "device_id": filter_device, "action_name": "wash_solid", "action_kwargs": { "vessel": vessel, "solvent": solvent, "volume": volume, "filtrate_vessel": actual_filtrate_vessel, "temp": temp, "stir": stir, "stir_speed": stir_speed, "time": time, "repeats": 1 # 每次循环只做1次 } } action_sequence.append(wash_action) # 等待清洗完成 action_sequence.append({ "action_name": "wait", "action_kwargs": {"time": max(10.0, time * 0.1)} }) # === 总结 === debug_print("=" * 50) debug_print(f"固体清洗协议生成完成") debug_print(f"总动作数: {len(action_sequence)}") debug_print(f"清洗容器: {vessel}") debug_print(f"使用溶剂: {solvent}") debug_print(f"清洗体积: {volume}mL") debug_print(f"重复次数: {repeats}") debug_print("=" * 50) return action_sequence # === 便捷函数 === def generate_quick_wash_protocol( G: nx.DiGraph, vessel: str, solvent: str, volume: float, **kwargs ) -> List[Dict[str, Any]]: """快速清洗：1次，室温，不搅拌""" return generate_wash_solid_protocol( G, vessel, solvent, volume, repeats=1, temp=25.0, stir=False, **kwargs ) def generate_thorough_wash_protocol( G: nx.DiGraph, vessel: str, solvent: str, volume: float, **kwargs ) -> List[Dict[str, Any]]: """彻底清洗：3次，加热，搅拌""" return generate_wash_solid_protocol( G, vessel, solvent, volume, repeats=3, temp=50.0, stir=True, stir_speed=200.0, time=300.0, **kwargs ) def generate_gentle_wash_protocol( G: nx.DiGraph, vessel: str, solvent: str, volume: float, **kwargs ) -> List[Dict[str, Any]]: """温和清洗：2次，室温，轻搅拌""" return generate_wash_solid_protocol( G, vessel, solvent, volume, repeats=2, temp=25.0, stir=True, stir_speed=100.0, time=180.0, **kwargs ) # 测试函数 def test_wash_solid_protocol(): """测试固体清洗协议""" debug_print("=== WASH SOLID PROTOCOL 测试 ===") debug_print("✅ 测试完成") if __name__ == "__main__": test_wash_solid_protocol()