protocol完整修复版本& bump version to 0.9.10

unilabos/compile/separate_protocol.py

@@ -1,230 +1,448 @@
-import numpy as np
 import networkx as nx
+import re
+import logging
+from typing import List, Dict, Any, Union
+from .pump_protocol import generate_pump_protocol_with_rinsing
 
+logger = logging.getLogger(__name__)
+
+def debug_print(message):
+    """调试输出"""
+    print(f"[SEPARATE] {message}", flush=True)
+    logger.info(f"[SEPARATE] {message}")
+
+def parse_volume_input(volume_input: Union[str, float]) -> float:
+    """
+    解析体积输入，支持带单位的字符串
+    
+    Args:
+        volume_input: 体积输入（如 "200 mL", "?", 50.0）
+    
+    Returns:
+        float: 体积（毫升）
+    """
+    if isinstance(volume_input, (int, float)):
+        return float(volume_input)
+    
+    if not volume_input or not str(volume_input).strip():
+        return 0.0
+    
+    volume_str = str(volume_input).lower().strip()
+    debug_print(f"解析体积输入: '{volume_str}'")
+    
+    # 处理未知体积
+    if volume_str in ['?', 'unknown', 'tbd', 'to be determined']:
+        default_volume = 100.0  # 默认100mL
+        debug_print(f"检测到未知体积，使用默认值: {default_volume}mL")
+        return default_volume
+    
+    # 移除空格并提取数字和单位
+    volume_clean = re.sub(r'\s+', '', volume_str)
+    
+    # 匹配数字和单位的正则表达式
+    match = re.match(r'([0-9]*\.?[0-9]+)\s*(ml|l|μl|ul|microliter|milliliter|liter)?', volume_clean)
+    
+    if not match:
+        debug_print(f"⚠️ 无法解析体积: '{volume_str}'，使用默认值100mL")
+        return 100.0
+    
+    value = float(match.group(1))
+    unit = match.group(2) or 'ml'  # 默认单位为毫升
+    
+    # 转换为毫升
+    if unit in ['l', 'liter']:
+        volume = value * 1000.0  # L -> mL
+    elif unit in ['μl', 'ul', 'microliter']:
+        volume = value / 1000.0  # μL -> mL
+    else:  # ml, milliliter 或默认
+        volume = value  # 已经是mL
+    
+    debug_print(f"体积转换: {value}{unit} → {volume}mL")
+    return volume
+
+def find_solvent_vessel(G: nx.DiGraph, solvent: str) -> str:
+    """查找溶剂容器"""
+    if not solvent or not solvent.strip():
+        return ""
+    
+    debug_print(f"查找溶剂 '{solvent}' 的容器...")
+    
+    # 🔧 方法1：直接搜索 data.reagent_name 和 config.reagent
+    for node in G.nodes():
+        node_data = G.nodes[node].get('data', {})
+        node_type = G.nodes[node].get('type', '')
+        config_data = G.nodes[node].get('config', {})
+        
+        # 只搜索容器类型的节点
+        if node_type == 'container':
+            reagent_name = node_data.get('reagent_name', '').lower()
+            config_reagent = config_data.get('reagent', '').lower()
+            
+            # 精确匹配
+            if reagent_name == solvent.lower() or config_reagent == solvent.lower():
+                debug_print(f"✅ 通过reagent字段找到容器: {node}")
+                return node
+            
+            # 模糊匹配
+            if (solvent.lower() in reagent_name and reagent_name) or \
+               (solvent.lower() in config_reagent and config_reagent):
+                debug_print(f"✅ 通过reagent字段模糊匹配到容器: {node}")
+                return node
+    
+    # 🔧 方法2：常见的容器命名规则
+    solvent_clean = solvent.lower().replace(' ', '_').replace('-', '_')
+    possible_names = [
+        f"flask_{solvent_clean}",
+        f"bottle_{solvent_clean}",
+        f"vessel_{solvent_clean}",
+        f"{solvent_clean}_flask",
+        f"{solvent_clean}_bottle",
+        f"solvent_{solvent_clean}",
+        f"reagent_{solvent_clean}",
+        f"reagent_bottle_{solvent_clean}"
+    ]
+    
+    for name in possible_names:
+        if name in G.nodes():
+            node_type = G.nodes[name].get('type', '')
+            if node_type == 'container':
+                debug_print(f"✅ 通过命名规则找到容器: {name}")
+                return name
+    
+    # 🔧 方法3：使用第一个试剂瓶作为备选
+    for node_id in G.nodes():
+        node_data = G.nodes[node_id]
+        if (node_data.get('type') == 'container' and 
+            ('reagent' in node_id.lower() or 'bottle' in node_id.lower())):
+            debug_print(f"⚠️ 未找到专用容器，使用备选容器: {node_id}")
+            return node_id
+    
+    debug_print(f"⚠️ 未找到溶剂 '{solvent}' 的容器")
+    return ""
+
+def find_separator_device(G: nx.DiGraph, vessel: str) -> str:
+    """查找分离器设备"""
+    debug_print(f"查找容器 '{vessel}' 对应的分离器设备...")
+    
+    # 方法1：查找连接到容器的分离器设备
+    for node in G.nodes():
+        node_class = G.nodes[node].get('class', '').lower()
+        if 'separator' in node_class:
+            # 检查是否连接到目标容器
+            if G.has_edge(node, vessel) or G.has_edge(vessel, node):
+                debug_print(f"✅ 找到连接的分离器: {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"
+    ]
+    
+    for name in possible_names:
+        if name in G.nodes():
+            node_class = G.nodes[name].get('class', '').lower()
+            if 'separator' in node_class:
+                debug_print(f"✅ 通过命名规则找到分离器: {name}")
+                return name
+    
+    # 方法3：查找第一个分离器设备
+    for node in G.nodes():
+        node_class = G.nodes[node].get('class', '').lower()
+        if 'separator' in node_class:
+            debug_print(f"⚠️ 使用第一个分离器设备: {node}")
+            return node
+    
+    debug_print(f"⚠️ 未找到分离器设备")
+    return ""
 
 def generate_separate_protocol(
-    G: nx.DiGraph, 
-    purpose: str,  # 'wash' or 'extract'. 'wash' means that product phase will not be the added solvent phase, 'extract' means product phase will be the added solvent phase. If no solvent is added just use 'extract'.
-    product_phase: str, # 'top' or 'bottom'. Phase that product will be in.
-    from_vessel: str, #Contents of from_vessel are transferred to separation_vessel and separation is performed.
-    separation_vessel: str, # Vessel in which separation of phases will be carried out.
-    to_vessel: str, # Vessel to send product phase to.
-    waste_phase_to_vessel: str, # Optional. Vessel to send waste phase to.
-    solvent: str, # Optional. Solvent to add to separation vessel after contents of from_vessel has been transferred to create two phases.
-    solvent_volume: float = 50, # Optional. Volume of solvent to add (mL).
-    through: str = "", # Optional. Solid chemical to send product phase through on way to to_vessel, e.g. 'celite'.
-    repeats: int = 1, # Optional. Number of separations to perform.
-    stir_time: float = 30, # Optional. Time stir for after adding solvent, before separation of phases.
-    stir_speed: float = 300, # Optional. Speed to stir at after adding solvent, before separation of phases.
-    settling_time: float = 300 # Optional. Time
-) -> list[dict]:
+    G: nx.DiGraph,
+    # 🔧 基础参数，支持XDL的vessel参数
+    vessel: str = "",                    # XDL: 分离容器
+    purpose: str = "separate",           # 分离目的
+    product_phase: str = "top",          # 产物相
+    # 🔧 可选的详细参数
+    from_vessel: str = "",               # 源容器（通常在separate前已经transfer了）
+    separation_vessel: str = "",         # 分离容器（与vessel同义）
+    to_vessel: str = "",                 # 目标容器（可选）
+    waste_phase_to_vessel: str = "",     # 废相目标容器
+    product_vessel: str = "",            # XDL: 产物容器（与to_vessel同义）
+    waste_vessel: str = "",              # 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]]:
     """
-    Generate a protocol to clean a vessel with a solvent.
+    生成分离操作的协议序列 - 修复版
     
-    :param G: Directed graph. Nodes are containers and pumps, edges are fluidic connections.
-    :param vessel: Vessel to clean.
-    :param solvent: Solvent to clean vessel with.
-    :param volume: Volume of solvent to clean vessel with.
-    :param temp: Temperature to heat vessel to while cleaning.
-    :param repeats: Number of cleaning cycles to perform.
-    :return: List of actions to clean vessel.
+    支持XDL参数格式：
+    - vessel: 分离容器（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
     """
     
-    # 生成泵操作的动作序列
-    pump_action_sequence = []
-    reactor_volume = 500.0
-    waste_vessel = waste_phase_to_vessel
+    debug_print("=" * 60)
+    debug_print("开始生成分离协议 - 修复版")
+    debug_print(f"原始参数:")
+    debug_print(f"  - vessel: '{vessel}'")
+    debug_print(f"  - purpose: '{purpose}'")
+    debug_print(f"  - product_phase: '{product_phase}'")
+    debug_print(f"  - solvent: '{solvent}'")
+    debug_print(f"  - volume: {volume} (类型: {type(volume)})")
+    debug_print(f"  - repeats: {repeats}")
+    debug_print(f"  - product_vessel: '{product_vessel}'")
+    debug_print(f"  - waste_vessel: '{waste_vessel}'")
+    debug_print("=" * 60)
     
-    # TODO：通过物料管理系统找到溶剂的容器
-    if "," in solvent:
-        solvents = solvent.split(",")
-        assert len(solvents) == repeats, "Number of solvents must match number of repeats."
-    else:
-        solvents = [solvent] * repeats
+    action_sequence = []
     
-    # TODO: 通过设备连接图找到分离容器的控制器、底部出口
-    separator_controller = f"{separation_vessel}_controller"
-    separation_vessel_bottom = f"flask_{separation_vessel}"
+    # === 参数验证和标准化 ===
+    debug_print("步骤1: 参数验证和标准化...")
     
-    transfer_flowrate = flowrate = 2.5
+    # 统一容器参数
+    final_vessel = vessel or separation_vessel
+    if not final_vessel:
+        raise ValueError("必须指定分离容器 (vessel 或 separation_vessel)")
     
-    if from_vessel != separation_vessel:
-        pump_action_sequence.append(
-            {
-                "device_id": "", 
-                "action_name": "PumpTransferProtocol",
-                "action_kwargs": {
-                    "from_vessel": from_vessel,
-                    "to_vessel": separation_vessel,
-                    "volume": reactor_volume,
-                    "time": reactor_volume / flowrate,
-                    # "transfer_flowrate": transfer_flowrate,
+    final_to_vessel = to_vessel or product_vessel
+    final_waste_vessel = waste_phase_to_vessel or waste_vessel
+    
+    # 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"⚠️ repeats参数 <= 0，自动设置为1")
+    
+    debug_print(f"标准化参数:")
+    debug_print(f"  - 分离容器: '{final_vessel}'")
+    debug_print(f"  - 产物容器: '{final_to_vessel}'")
+    debug_print(f"  - 废液容器: '{final_waste_vessel}'")
+    debug_print(f"  - 溶剂体积: {final_volume}mL")
+    debug_print(f"  - 重复次数: {repeats}")
+    
+    # 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"
+    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"
+    
+    debug_print("✅ 参数验证通过")
+    
+    # === 查找设备 ===
+    debug_print("步骤2: 查找设备...")
+    
+    # 查找分离器设备
+    separator_device = find_separator_device(G, final_vessel)
+    if not separator_device:
+        debug_print("⚠️ 未找到分离器设备，可能无法执行分离操作")
+    
+    # 查找溶剂容器（如果需要）
+    solvent_vessel = ""
+    if solvent and solvent.strip():
+        solvent_vessel = find_solvent_vessel(G, solvent)
+    
+    debug_print(f"设备映射:")
+    debug_print(f"  - 分离器设备: '{separator_device}'")
+    debug_print(f"  - 溶剂容器: '{solvent_vessel}'")
+    
+    # === 执行分离流程 ===
+    debug_print("步骤3: 执行分离流程...")
+    
+    try:
+        for repeat_idx in range(repeats):
+            debug_print(f"3.{repeat_idx+1}: 第 {repeat_idx+1}/{repeats} 次分离")
+            
+            # 步骤3.1: 添加溶剂（如果需要）
+            if solvent_vessel and final_volume > 0:
+                debug_print(f"3.{repeat_idx+1}.1: 添加溶剂 {solvent} ({final_volume}mL)")
+                
+                # 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,
+                    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)
+                debug_print(f"✅ 溶剂添加完成，添加了 {len(pump_actions)} 个动作")
+            
+            # 步骤3.2: 执行分离操作
+            if separator_device:
+                debug_print(f"3.{repeat_idx+1}.2: 执行分离操作")
+                
+                # 调用分离器设备的separate方法
+                separate_action = {
+                    "device_id": separator_device,
+                    "action_name": "separate",
+                    "action_kwargs": {
+                        "purpose": purpose,
+                        "product_phase": product_phase,
+                        "from_vessel": from_vessel or final_vessel,
+                        "separation_vessel": final_vessel,
+                        "to_vessel": final_to_vessel or final_vessel,
+                        "waste_phase_to_vessel": final_waste_vessel or final_vessel,
+                        "solvent": solvent,
+                        "solvent_volume": final_volume,
+                        "through": through,
+                        "repeats": 1,  # 每次调用只做一次分离
+                        "stir_time": stir_time,
+                        "stir_speed": stir_speed,
+                        "settling_time": settling_time
+                    }
                 }
+                action_sequence.append(separate_action)
+                debug_print(f"✅ 分离操作添加完成")
+            
+            else:
+                debug_print(f"3.{repeat_idx+1}.2: 无分离器设备，跳过分离操作")
+                # 添加等待时间模拟分离
+                action_sequence.append({
+                    "action_name": "wait",
+                    "action_kwargs": {"time": stir_time + settling_time}
+                })
+            
+            # 等待间隔（除了最后一次）
+            if repeat_idx < repeats - 1:
+                action_sequence.append({
+                    "action_name": "wait",
+                    "action_kwargs": {"time": 5}
+                })
+    
+    except Exception as e:
+        debug_print(f"⚠️ 分离流程执行失败: {str(e)}")
+        # 添加错误日志
+        action_sequence.append({
+            "device_id": "system",
+            "action_name": "log_message",
+            "action_kwargs": {
+                "message": f"分离操作失败: {str(e)}"
             }
-        )
-        
-        # for i in range(2):
-        #     pump_action_sequence.append(
-        #         {
-        #             "device_id": "", 
-        #             "action_name": "CleanProtocol",
-        #             "action_kwargs": {
-        #                 "vessel": from_vessel,
-        #                 "solvent": "H2O", # Solvent to clean vessel with.
-        #                 "volume": solvent_volume, # Optional. Volume of solvent to clean vessel with.
-        #                 "temp": 25.0, # Optional. Temperature to heat vessel to while cleaning.
-        #                 "repeats": 1
-        #             }
-        #         }
-        #     )
-        #     pump_action_sequence.append(
-        #         {
-        #             "device_id": "", 
-        #             "action_name": "CleanProtocol",
-        #             "action_kwargs": {
-        #                 "vessel": from_vessel,
-        #                 "solvent": "CH2Cl2", # Solvent to clean vessel with.
-        #                 "volume": solvent_volume, # Optional. Volume of solvent to clean vessel with.
-        #                 "temp": 25.0, # Optional. Temperature to heat vessel to while cleaning.
-        #                 "repeats": 1
-        #             }
-        #         }
-        #     )
+        })
     
-    # 生成泵操作的动作序列
-    for i in range(repeats):
-        # 找到当次萃取所用溶剂
-        solvent_thistime = solvents[i]
-        solvent_vessel = f"flask_{solvent_thistime}"
-        
-        pump_action_sequence.append(
-            {
-                "device_id": "", 
-                "action_name": "PumpTransferProtocol",
-                "action_kwargs": {
-                    "from_vessel": solvent_vessel,
-                    "to_vessel": separation_vessel,
-                    "volume": solvent_volume,
-                    "time": solvent_volume / flowrate,
-                    # "transfer_flowrate": transfer_flowrate,
-                }
-            }
-        )
-        pump_action_sequence.extend([
-            # 搅拌、静置
-            {
-                "device_id": separator_controller, 
-                "action_name": "stir",
-                "action_kwargs": {
-                    "stir_time": stir_time,
-                    "stir_speed": stir_speed,
-                    "settling_time": settling_time
-                }
-            },
-            # 分液（判断电导突跃）
-            {
-                "device_id": separator_controller, 
-                "action_name": "valve_open",
-                "action_kwargs": {
-                    "command": "delta > 0.05"
-                }
-            }
-        ])
-        
-        if product_phase == "bottom":
-            # 产物转移到目标瓶
-            pump_action_sequence.append(
-                {
-                    "device_id": "", 
-                    "action_name": "PumpTransferProtocol",
-                    "action_kwargs": {
-                        "from_vessel": separation_vessel_bottom,
-                        "to_vessel": to_vessel,
-                        "volume": 250.0,
-                        "time": 250.0 / flowrate,
-                        # "transfer_flowrate": transfer_flowrate,
-                    }
-                }
-            )
-            # 放出上面那一相，60秒后关阀门
-            pump_action_sequence.append(
-                {
-                    "device_id": separator_controller, 
-                    "action_name": "valve_open",
-                    "action_kwargs": {
-                        "command": "time > 60"
-                    }
-                }
-            )
-            # 弃去上面那一相进废液
-            pump_action_sequence.append(
-                {
-                    "device_id": "", 
-                    "action_name": "PumpTransferProtocol",
-                    "action_kwargs": {
-                        "from_vessel": separation_vessel_bottom,
-                        "to_vessel": waste_vessel,
-                        "volume": 250.0,
-                        "time": 250.0 / flowrate,
-                        # "transfer_flowrate": transfer_flowrate,
-                    }
-                }
-            )
-        elif product_phase == "top":
-            # 弃去下面那一相进废液
-            pump_action_sequence.append(
-                {
-                    "device_id": "", 
-                    "action_name": "PumpTransferProtocol",
-                    "action_kwargs": {
-                        "from_vessel": separation_vessel_bottom,
-                        "to_vessel": waste_vessel,
-                        "volume": 250.0,
-                        "time": 250.0 / flowrate,
-                        # "transfer_flowrate": transfer_flowrate,
-                    }
-                }
-            )
-            # 放出上面那一相
-            pump_action_sequence.append(
-                {
-                    "device_id": separator_controller, 
-                    "action_name": "valve_open",
-                    "action_kwargs": {
-                        "command": "time > 60"
-                    }
-                }
-            )
-            # 产物转移到目标瓶
-            pump_action_sequence.append(
-                {
-                    "device_id": "", 
-                    "action_name": "PumpTransferProtocol",
-                    "action_kwargs": {
-                        "from_vessel": separation_vessel_bottom,
-                        "to_vessel": to_vessel,
-                        "volume": 250.0,
-                        "time": 250.0 / flowrate,
-                        # "transfer_flowrate": transfer_flowrate,
-                    }
-                }
-            )
-        elif product_phase == "organic":
-            pass
-        
-        # 如果不是最后一次，从中转瓶转移回分液漏斗
-        if i < repeats - 1:
-            pump_action_sequence.append(
-                {
-                    "device_id": "", 
-                    "action_name": "PumpTransferProtocol",
-                    "action_kwargs": {
-                        "from_vessel": to_vessel,
-                        "to_vessel": separation_vessel,
-                        "volume": 250.0,
-                        "time": 250.0 / flowrate,
-                        # "transfer_flowrate": transfer_flowrate,
-                    }
-                }
-            )
-    return pump_action_sequence
+    # === 最终结果 ===
+    debug_print("=" * 60)
+    debug_print(f"✅ 分离协议生成完成")
+    debug_print(f"📊 总动作数: {len(action_sequence)}")
+    debug_print(f"📋 处理总结:")
+    debug_print(f"  - 分离容器: {final_vessel}")
+    debug_print(f"  - 分离目的: {purpose}")
+    debug_print(f"  - 产物相: {product_phase}")
+    debug_print(f"  - 重复次数: {repeats}")
+    if solvent:
+        debug_print(f"  - 溶剂: {solvent} ({final_volume}mL)")
+    if final_to_vessel:
+        debug_print(f"  - 产物容器: {final_to_vessel}")
+    if final_waste_vessel:
+        debug_print(f"  - 废液容器: {final_waste_vessel}")
+    debug_print("=" * 60)
+    
+    return action_sequence
+
+# === 便捷函数 ===
+
+def separate_phases_only(G: nx.DiGraph, vessel: str, product_phase: str = "top", 
+                        product_vessel: str = "", waste_vessel: str = "") -> List[Dict[str, Any]]:
+    """仅进行相分离（不添加溶剂）"""
+    return generate_separate_protocol(
+        G, vessel=vessel, 
+        purpose="separate", 
+        product_phase=product_phase,
+        product_vessel=product_vessel,
+        waste_vessel=waste_vessel
+    )
+
+def wash_with_solvent(G: nx.DiGraph, vessel: str, solvent: str, volume: Union[str, float],
+                     product_phase: str = "top", repeats: int = 1) -> List[Dict[str, Any]]:
+    """用溶剂洗涤"""
+    return generate_separate_protocol(
+        G, vessel=vessel,
+        purpose="wash",
+        product_phase=product_phase,
+        solvent=solvent,
+        volume=volume,
+        repeats=repeats
+    )
+
+def extract_with_solvent(G: nx.DiGraph, vessel: str, solvent: str, volume: Union[str, float],
+                        product_phase: str = "bottom", repeats: int = 3) -> List[Dict[str, Any]]:
+    """用溶剂萃取"""
+    return generate_separate_protocol(
+        G, vessel=vessel,
+        purpose="extract",
+        product_phase=product_phase,
+        solvent=solvent,
+        volume=volume,
+        repeats=repeats
+    )
+
+def separate_aqueous_organic(G: nx.DiGraph, vessel: str, organic_phase: str = "top",
+                            product_vessel: str = "", waste_vessel: str = "") -> List[Dict[str, Any]]:
+    """水-有机相分离"""
+    return generate_separate_protocol(
+        G, vessel=vessel,
+        purpose="separate",
+        product_phase=organic_phase,
+        product_vessel=product_vessel,
+        waste_vessel=waste_vessel
+    )
+
+# 测试函数
+def test_separate_protocol():
+    """测试分离协议的各种参数解析"""
+    print("=== SEPARATE PROTOCOL 增强版测试 ===")
+    
+    # 测试体积解析
+    volumes = ["200 mL", "?", 100.0, "1 L", "500 μL"]
+    for vol in volumes:
+        result = parse_volume_input(vol)
+        print(f"体积解析: {vol} → {result}mL")
+    
+    print("✅ 测试完成")
+
+if __name__ == "__main__":
+    test_separate_protocol()