import networkx as nx from typing import List, Dict, Any from .utils.vessel_parser import get_vessel, find_connected_heatchill from .utils.logger_util import debug_print def generate_dry_protocol( G: nx.DiGraph, vessel: dict, compound: str = "", **kwargs ) -> 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 """ vessel_id, vessel_data = get_vessel(vessel) action_sequence = [] # 默认参数 dry_temp = 60.0 dry_time = 3600.0 simulation_time = 60.0 debug_print(f"开始生成干燥协议: vessel={vessel_id}, compound={compound or '未指定'}, temp={dry_temp}°C") # 记录干燥前的容器状态 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 # 1. 验证目标容器存在 if vessel_id not in G.nodes(): debug_print(f"容器 '{vessel_id}' 不存在于系统中，跳过干燥") return action_sequence # 2. 查找相连的加热器 heater_id = find_connected_heatchill(G, vessel_id) if heater_id is None: debug_print(f"未找到与容器 '{vessel_id}' 相连的加热器，添加模拟干燥动作") action_sequence.append({ "action_name": "wait", "action_kwargs": { "time": 10.0, "description": f"模拟干燥 {compound or '化合物'} (无加热器可用)" } }) # 模拟干燥的体积变化 if original_liquid_volume > 0: volume_loss = original_liquid_volume * 0.1 new_volume = max(0.0, original_liquid_volume - volume_loss) 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 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"模拟干燥体积变化: {original_liquid_volume:.2f}mL -> {new_volume:.2f}mL") debug_print(f"协议生成完成，共 {len(action_sequence)} 个动作") return action_sequence debug_print(f"找到加热器: {heater_id}") # 3. 启动加热器进行干燥 # 3.1 启动加热 action_sequence.append({ "device_id": heater_id, "action_name": "heat_chill_start", "action_kwargs": { "vessel": {"id": vessel_id}, "temp": dry_temp, "purpose": f"干燥 {compound or '化合物'}" } }) # 3.2 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" } }) # 3.3 保持干燥温度 action_sequence.append({ "device_id": heater_id, "action_name": "heat_chill", "action_kwargs": { "vessel": {"id": vessel_id}, "temp": dry_temp, "time": simulation_time, "purpose": f"干燥 {compound or '化合物'}，保持温度 {dry_temp}°C" } }) # 干燥过程中的体积变化计算 if original_liquid_volume > 0: evaporation_rate = 0.001 * dry_temp total_evaporation = min(original_liquid_volume * 0.8, evaporation_rate * simulation_time) new_volume = max(0.0, original_liquid_volume - total_evaporation) 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 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"干燥体积变化: {original_liquid_volume:.2f}mL -> {new_volume:.2f}mL (-{total_evaporation:.2f}mL)") # 3.4 停止加热 action_sequence.append({ "device_id": heater_id, "action_name": "heat_chill_stop", "action_kwargs": { "vessel": {"id": vessel_id}, "purpose": f"干燥完成，停止加热" } }) # 3.5 等待冷却 action_sequence.append({ "action_name": "wait", "action_kwargs": { "time": 10.0, "description": f"等待 {compound or '化合物'} 冷却" } }) # 最终状态 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 debug_print(f"干燥协议生成完成: {len(action_sequence)} 个动作, 体积 {original_liquid_volume:.2f} -> {final_liquid_volume:.2f}mL") return action_sequence # 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""" 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""" 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""" return generate_dry_protocol(G, vessel, compound) # 测试函数 def test_dry_protocol(): """测试干燥协议""" debug_print("=== DRY PROTOCOL 测试 ===") debug_print("测试完成") if __name__ == "__main__": test_dry_protocol()