import networkx as nx from typing import List, Dict, Any, Union from .utils.vessel_parser import get_vessel, find_solvent_vessel, find_connected_stirrer from .utils.resource_helper import get_resource_liquid_volume, update_vessel_volume from .utils.logger_util import debug_print, action_log from .utils.unit_parser import parse_volume_input from .pump_protocol import generate_pump_protocol_with_rinsing def generate_separate_protocol( G: nx.DiGraph, # 🔧 基础参数,支持XDL的vessel参数 vessel: dict = None, # 🔧 修改:从字符串改为字典类型 purpose: str = "separate", # 分离目的 product_phase: str = "top", # 产物相 # 🔧 可选的详细参数 from_vessel: Union[str, dict] = "", # 源容器(通常在separate前已经transfer了) separation_vessel: Union[str, dict] = "", # 分离容器(与vessel同义) to_vessel: Union[str, dict] = "", # 目标容器(可选) waste_phase_to_vessel: Union[str, dict] = "", # 废相目标容器 product_vessel: Union[str, dict] = "", # XDL: 产物容器(与to_vessel同义) waste_vessel: Union[str, dict] = "", # XDL: 废液容器(与waste_phase_to_vessel同义) # 🔧 溶剂相关参数 solvent: str = "", # 溶剂名称 solvent_volume: Union[str, float] = 0.0, # 溶剂体积 volume: Union[str, float] = 0.0, # XDL: 体积(与solvent_volume同义) # 🔧 操作参数 through: str = "", # 通过材料 repeats: int = 1, # 重复次数 stir_time: float = 30.0, # 搅拌时间(秒) stir_speed: float = 300.0, # 搅拌速度 settling_time: float = 300.0, # 沉降时间(秒) **kwargs ) -> List[Dict[str, Any]]: """ 生成分离操作的协议序列 - 支持vessel字典和体积运算 支持XDL参数格式: - vessel: 分离容器字典(必需) - purpose: "wash", "extract", "separate" - product_phase: "top", "bottom" - product_vessel: 产物收集容器 - waste_vessel: 废液收集容器 - solvent: 溶剂名称 - volume: "200 mL", "?" 或数值 - repeats: 重复次数 分离流程: 1. (可选)添加溶剂到分离容器 2. 搅拌混合 3. 静置分层 4. 收集指定相到目标容器 5. 重复指定次数 """ # 🔧 核心修改:vessel参数兼容处理 if vessel is None: if isinstance(separation_vessel, dict): vessel = separation_vessel else: raise ValueError("必须提供vessel字典参数") # 🔧 核心修改:从字典中提取容器ID vessel_id, vessel_data = get_vessel(vessel) debug_print(f"开始生成分离协议: vessel={vessel_id}, purpose={purpose}, " f"product_phase={product_phase}, solvent={solvent}, " f"volume={volume}, repeats={repeats}") action_sequence = [] # 记录分离前的容器状态 original_liquid_volume = get_resource_liquid_volume(vessel) debug_print(f"分离前液体体积: {original_liquid_volume:.2f}mL") # === 参数验证和标准化 === action_sequence.append(action_log(f"开始分离操作 - 容器: {vessel_id}", "🎬", prefix="[SEPARATE]")) action_sequence.append(action_log(f"分离目的: {purpose}", "🧪", prefix="[SEPARATE]")) action_sequence.append(action_log(f"产物相: {product_phase}", "📊", prefix="[SEPARATE]")) # 统一容器参数 - 支持字典和字符串 final_vessel_id = vessel_id to_vessel_result = get_vessel(to_vessel) if to_vessel else None if to_vessel_result is None or to_vessel_result[0] == "": to_vessel_result = get_vessel(product_vessel) if product_vessel else None final_to_vessel_id = to_vessel_result[0] if to_vessel_result else "" waste_vessel_result = get_vessel(waste_phase_to_vessel) if waste_phase_to_vessel else None if waste_vessel_result is None or waste_vessel_result[0] == "": waste_vessel_result = get_vessel(waste_vessel) if waste_vessel else None final_waste_vessel_id = waste_vessel_result[0] if waste_vessel_result else "" # 统一体积参数 final_volume = parse_volume_input(volume or solvent_volume) # 🔧 修复:确保repeats至少为1 if repeats <= 0: repeats = 1 debug_print(f"⚠️ 重复次数参数 <= 0,自动设置为 1") debug_print(f"标准化参数: vessel={final_vessel_id}, to={final_to_vessel_id}, " f"waste={final_waste_vessel_id}, volume={final_volume}mL, repeats={repeats}") action_sequence.append(action_log(f"分离容器: {final_vessel_id}", "🧪", prefix="[SEPARATE]")) action_sequence.append(action_log(f"溶剂体积: {final_volume}mL", "📏", prefix="[SEPARATE]")) action_sequence.append(action_log(f"重复次数: {repeats}", "🔄", prefix="[SEPARATE]")) # 验证必需参数 if not purpose: purpose = "separate" if not product_phase: product_phase = "top" if purpose not in ["wash", "extract", "separate"]: debug_print(f"⚠️ 未知的分离目的 '{purpose}',使用默认值 'separate'") purpose = "separate" action_sequence.append(action_log(f"未知目的,使用: {purpose}", "⚠️", prefix="[SEPARATE]")) if product_phase not in ["top", "bottom"]: debug_print(f"⚠️ 未知的产物相 '{product_phase}',使用默认值 'top'") product_phase = "top" action_sequence.append(action_log(f"未知相别,使用: {product_phase}", "⚠️", prefix="[SEPARATE]")) action_sequence.append(action_log("参数验证通过", "✅", prefix="[SEPARATE]")) # === 查找设备 === action_sequence.append(action_log("正在查找相关设备...", "🔍", prefix="[SEPARATE]")) # 查找分离器设备 separator_device = find_separator_device(G, final_vessel_id) if separator_device: action_sequence.append(action_log(f"找到分离器设备: {separator_device}", "🧪", prefix="[SEPARATE]")) else: debug_print("⚠️ 未找到分离器设备,可能无法执行分离") action_sequence.append(action_log("未找到分离器设备", "⚠️", prefix="[SEPARATE]")) # 查找搅拌器 stirrer_device = find_connected_stirrer(G, final_vessel_id) if stirrer_device: action_sequence.append(action_log(f"找到搅拌器: {stirrer_device}", "🌪️", prefix="[SEPARATE]")) else: action_sequence.append(action_log("未找到搅拌器", "⚠️", prefix="[SEPARATE]")) # 查找溶剂容器(如果需要) solvent_vessel = "" if solvent and solvent.strip(): try: solvent_vessel = find_solvent_vessel(G, solvent) except ValueError: solvent_vessel = "" if solvent_vessel: action_sequence.append(action_log(f"找到溶剂容器: {solvent_vessel}", "💧", prefix="[SEPARATE]")) else: action_sequence.append(action_log(f"未找到溶剂容器: {solvent}", "⚠️", prefix="[SEPARATE]")) debug_print(f"设备配置: separator={separator_device}, stirrer={stirrer_device}, solvent_vessel={solvent_vessel}") # === 执行分离流程 === action_sequence.append(action_log("开始分离工作流程", "🎯", prefix="[SEPARATE]")) # 体积变化跟踪变量 current_volume = original_liquid_volume try: for repeat_idx in range(repeats): cycle_num = repeat_idx + 1 debug_print(f"分离循环 {cycle_num}/{repeats} 开始") action_sequence.append(action_log(f"分离循环 {cycle_num}/{repeats} 开始", "🔄", prefix="[SEPARATE]")) # 步骤3.1: 添加溶剂(如果需要) if solvent_vessel and final_volume > 0: action_sequence.append(action_log(f"向分离容器添加 {final_volume}mL {solvent}", "💧", prefix="[SEPARATE]")) try: # 使用pump protocol添加溶剂 pump_actions = generate_pump_protocol_with_rinsing( G=G, from_vessel=solvent_vessel, to_vessel=final_vessel_id, volume=final_volume, amount="", time=0.0, viscous=False, rinsing_solvent="", rinsing_volume=0.0, rinsing_repeats=0, solid=False, flowrate=2.5, transfer_flowrate=0.5, rate_spec="", event="", through="", **kwargs ) action_sequence.extend(pump_actions) action_sequence.append(action_log(f"溶剂转移完成 ({len(pump_actions)} 个操作)", "✅", prefix="[SEPARATE]")) # 更新体积 - 添加溶剂后 current_volume += final_volume update_vessel_volume(vessel, G, current_volume, f"添加{final_volume}mL {solvent}后") except Exception as e: debug_print(f"❌ 溶剂添加失败: {str(e)}") action_sequence.append(action_log(f"溶剂添加失败: {str(e)}", "❌", prefix="[SEPARATE]")) else: action_sequence.append(action_log("无需添加溶剂", "⏭️", prefix="[SEPARATE]")) # 步骤3.2: 启动搅拌(如果有搅拌器) if stirrer_device and stir_time > 0: action_sequence.append(action_log(f"开始搅拌: {stir_speed}rpm,持续 {stir_time}s", "🌪️", prefix="[SEPARATE]")) action_sequence.append({ "device_id": stirrer_device, "action_name": "start_stir", "action_kwargs": { "vessel": {"id": final_vessel_id}, "stir_speed": stir_speed, "purpose": f"分离混合 - {purpose}" } }) # 搅拌等待 stir_minutes = stir_time / 60 action_sequence.append(action_log(f"搅拌中,持续 {stir_minutes:.1f} 分钟", "⏱️", prefix="[SEPARATE]")) action_sequence.append({ "action_name": "wait", "action_kwargs": {"time": stir_time} }) # 停止搅拌 action_sequence.append(action_log("停止搅拌器", "🛑", prefix="[SEPARATE]")) action_sequence.append({ "device_id": stirrer_device, "action_name": "stop_stir", "action_kwargs": {"vessel": final_vessel_id} }) else: action_sequence.append(action_log("无需搅拌", "⏭️", prefix="[SEPARATE]")) # 步骤3.3: 静置分层 if settling_time > 0: settling_minutes = settling_time / 60 action_sequence.append(action_log(f"静置分层 ({settling_minutes:.1f} 分钟)", "⚖️", prefix="[SEPARATE]")) action_sequence.append({ "action_name": "wait", "action_kwargs": {"time": settling_time} }) else: action_sequence.append(action_log("未指定静置时间", "⏭️", prefix="[SEPARATE]")) # 步骤3.4: 执行分离操作 if separator_device: action_sequence.append(action_log(f"执行分离: 收集{product_phase}相", "🧪", prefix="[SEPARATE]")) # 首先进行分液判断(电导突跃) action_sequence.append({ "device_id": separator_device, "action_name": "valve_open", "action_kwargs": { "command": "delta > 0.05" } }) # 估算每相的体积(假设大致平分) phase_volume = current_volume / 2 # 智能查找分离容器底部 separation_vessel_bottom = find_separation_vessel_bottom(G, final_vessel_id) if product_phase == "bottom": action_sequence.append(action_log("收集底相产物", "📦", prefix="[SEPARATE]")) # 产物转移到目标瓶 if final_to_vessel_id: pump_actions = generate_pump_protocol_with_rinsing( G=G, from_vessel=separation_vessel_bottom, to_vessel=final_to_vessel_id, volume=current_volume, flowrate=2.5, **kwargs ) action_sequence.extend(pump_actions) # 放出上面那一相,60秒后关阀门 action_sequence.append({ "device_id": separator_device, "action_name": "valve_open", "action_kwargs": { "command": "time > 60" } }) # 弃去上面那一相进废液 if final_waste_vessel_id: pump_actions = generate_pump_protocol_with_rinsing( G=G, from_vessel=separation_vessel_bottom, to_vessel=final_waste_vessel_id, volume=current_volume, flowrate=2.5, **kwargs ) action_sequence.extend(pump_actions) elif product_phase == "top": action_sequence.append(action_log("收集上相产物", "📦", prefix="[SEPARATE]")) # 弃去下面那一相进废液 if final_waste_vessel_id: pump_actions = generate_pump_protocol_with_rinsing( G=G, from_vessel=separation_vessel_bottom, to_vessel=final_waste_vessel_id, volume=phase_volume, flowrate=2.5, **kwargs ) action_sequence.extend(pump_actions) # 放出上面那一相,60秒后关阀门 action_sequence.append({ "device_id": separator_device, "action_name": "valve_open", "action_kwargs": { "command": "time > 60" } }) # 产物转移到目标瓶 if final_to_vessel_id: pump_actions = generate_pump_protocol_with_rinsing( G=G, from_vessel=separation_vessel_bottom, to_vessel=final_to_vessel_id, volume=phase_volume, flowrate=2.5, **kwargs ) action_sequence.extend(pump_actions) action_sequence.append(action_log("分离操作完成", "✅", prefix="[SEPARATE]")) # 分离后体积估算 separated_volume = phase_volume * 0.95 # 假设5%损失,只保留产物相体积 update_vessel_volume(vessel, G, separated_volume, f"分离操作后(第{cycle_num}轮)") current_volume = separated_volume # 收集结果 if final_to_vessel_id: action_sequence.append( action_log(f"产物 ({product_phase}相) 收集到: {final_to_vessel_id}", "📦", prefix="[SEPARATE]")) if final_waste_vessel_id: action_sequence.append(action_log(f"废相收集到: {final_waste_vessel_id}", "🗑️", prefix="[SEPARATE]")) else: action_sequence.append(action_log("无分离器设备可用", "❌", prefix="[SEPARATE]")) # 添加等待时间模拟分离 action_sequence.append({ "action_name": "wait", "action_kwargs": {"time": 10.0} }) # 如果不是最后一次,从中转瓶转移回分液漏斗 if repeat_idx < repeats - 1 and final_to_vessel_id and final_to_vessel_id != final_vessel_id: action_sequence.append(action_log("产物转回分离容器,准备下一轮", "🔄", prefix="[SEPARATE]")) pump_actions = generate_pump_protocol_with_rinsing( G=G, from_vessel=final_to_vessel_id, to_vessel=final_vessel_id, volume=current_volume, flowrate=2.5, **kwargs ) action_sequence.extend(pump_actions) # 更新体积回到分离容器 update_vessel_volume(vessel, G, current_volume, f"产物转回分离容器(第{cycle_num}轮后)") # 循环间等待(除了最后一次) if repeat_idx < repeats - 1: action_sequence.append(action_log("等待下一次循环...", "⏳", prefix="[SEPARATE]")) action_sequence.append({ "action_name": "wait", "action_kwargs": {"time": 5} }) else: action_sequence.append(action_log(f"分离循环 {cycle_num}/{repeats} 完成", "🌟", prefix="[SEPARATE]")) except Exception as e: debug_print(f"❌ 分离工作流程执行失败: {str(e)}") action_sequence.append(action_log(f"分离工作流程失败: {str(e)}", "❌", prefix="[SEPARATE]")) # 分离完成后的最终状态报告 final_liquid_volume = get_resource_liquid_volume(vessel) # === 最终结果 === total_time = (stir_time + settling_time + 15) * repeats # 估算总时间 debug_print(f"分离协议生成完成: {len(action_sequence)} 个动作, " f"预计 {total_time:.0f}s, 体积 {original_liquid_volume:.2f}→{final_liquid_volume:.2f}mL") # 添加完成日志 summary_msg = f"分离协议完成: {final_vessel_id} ({purpose},{repeats} 次循环)" if solvent: summary_msg += f",使用 {final_volume * repeats:.2f}mL {solvent}" action_sequence.append(action_log(summary_msg, "🎉", prefix="[SEPARATE]")) return action_sequence def find_separator_device(G: nx.DiGraph, vessel: str) -> str: """查找分离器设备,支持多种查找方式""" # 方法1:查找连接到容器的分离器设备 separator_nodes = [] for node in G.nodes(): node_class = G.nodes[node].get('class', '').lower() if 'separator' in node_class: separator_nodes.append(node) # 检查是否连接到目标容器 if G.has_edge(node, vessel) or G.has_edge(vessel, node): return node # 方法2:根据命名规则查找 possible_names = [ f"{vessel}_controller", f"{vessel}_separator", vessel, # 容器本身可能就是分离器 "separator_1", "virtual_separator", "liquid_handler_1", "controller_1" ] for name in possible_names: if name in G.nodes(): node_class = G.nodes[name].get('class', '').lower() if 'separator' in node_class or 'controller' in node_class: return name # 方法3:使用第一个可用分离器 if separator_nodes: debug_print(f"⚠️ 使用第一个分离器设备: {separator_nodes[0]}") return separator_nodes[0] debug_print(f"❌ 未找到分离器设备") return "" def find_separation_vessel_bottom(G: nx.DiGraph, vessel_id: str) -> str: """ 智能查找分离容器的底部容器(假设为flask或vessel类型) Args: G: 网络图 vessel_id: 分离容器ID Returns: str: 底部容器ID """ # 方法1:根据命名规则推测 possible_bottoms = [ f"{vessel_id}_bottom", f"flask_{vessel_id}", f"vessel_{vessel_id}", f"{vessel_id}_flask", f"{vessel_id}_vessel" ] for bottom_id in possible_bottoms: if bottom_id in G.nodes(): node_type = G.nodes[bottom_id].get('type', '') if node_type == 'container': return bottom_id # 方法2:查找与分离器相连的容器 for node in G.nodes(): node_data = G.nodes[node] node_class = node_data.get('class', '') or '' if 'separator' in node_class.lower(): if G.has_edge(node, vessel_id): for neighbor in G.neighbors(node): if neighbor != vessel_id: neighbor_type = G.nodes[neighbor].get('type', '') if neighbor_type == 'container': return neighbor debug_print(f"❌ 无法找到分离容器 {vessel_id} 的底部容器") return ""