action to resource & 0.9.12

2026-02-07 23:45:10 +00:00 · 2025-07-17 04:10:15 +08:00
parent f90be18926
commit 6b7564b9f9
53 changed files with 2526 additions and 761 deletions
--- a/unilabos/compile/wash_solid_protocol.py
+++ b/unilabos/compile/wash_solid_protocol.py
@@ -154,12 +154,153 @@ def find_filtrate_vessel(G: nx.DiGraph, filtrate_vessel: str = "") -> str:
    debug_print(f"⚠️ 使用默认滤液容器: waste_workup")
    return "waste_workup"

+def extract_vessel_id(vessel: Union[str, dict]) -> str:
+    """
+    从vessel参数中提取vessel_id
+    
+    Args:
+        vessel: vessel字典或vessel_id字符串
+        
+    Returns:
+        str: vessel_id
+    """
+    if isinstance(vessel, dict):
+        vessel_id = vessel.get("id", "")
+        debug_print(f"🔧 从vessel字典提取ID: {vessel_id}")
+        return vessel_id
+    elif isinstance(vessel, str):
+        debug_print(f"🔧 vessel参数为字符串: {vessel}")
+        return vessel
+    else:
+        debug_print(f"⚠️ 无效的vessel参数类型: {type(vessel)}")
+        return ""
+
+def get_vessel_display_info(vessel: Union[str, dict]) -> str:
+    """
+    获取容器的显示信息（用于日志）
+    
+    Args:
+        vessel: vessel字典或vessel_id字符串
+        
+    Returns:
+        str: 显示信息
+    """
+    if isinstance(vessel, dict):
+        vessel_id = vessel.get("id", "unknown")
+        vessel_name = vessel.get("name", "")
+        if vessel_name:
+            return f"{vessel_id} ({vessel_name})"
+        else:
+            return vessel_id
+    else:
+        return str(vessel)
+
+def get_vessel_liquid_volume(vessel: dict) -> float:
+    """
+    获取容器中的液体体积 - 支持vessel字典
+    
+    Args:
+        vessel: 容器字典
+        
+    Returns:
+        float: 液体体积（mL）
+    """
+    if not vessel or "data" not in vessel:
+        debug_print(f"⚠️ 容器数据为空，返回 0.0mL")
+        return 0.0
+    
+    vessel_data = vessel["data"]
+    vessel_id = vessel.get("id", "unknown")
+    
+    debug_print(f"🔍 读取容器 '{vessel_id}' 体积数据: {vessel_data}")
+    
+    # 检查liquid_volume字段
+    if "liquid_volume" in vessel_data:
+        liquid_volume = vessel_data["liquid_volume"]
+        
+        # 处理列表格式
+        if isinstance(liquid_volume, list):
+            if len(liquid_volume) > 0:
+                volume = liquid_volume[0]
+                if isinstance(volume, (int, float)):
+                    debug_print(f"✅ 容器 '{vessel_id}' 体积: {volume}mL (列表格式)")
+                    return float(volume)
+        
+        # 处理直接数值格式
+        elif isinstance(liquid_volume, (int, float)):
+            debug_print(f"✅ 容器 '{vessel_id}' 体积: {liquid_volume}mL (数值格式)")
+            return float(liquid_volume)
+    
+    # 检查其他可能的体积字段
+    volume_keys = ['current_volume', 'total_volume', 'volume']
+    for key in volume_keys:
+        if key in vessel_data:
+            try:
+                volume = float(vessel_data[key])
+                if volume > 0:
+                    debug_print(f"✅ 容器 '{vessel_id}' 体积: {volume}mL (字段: {key})")
+                    return volume
+            except (ValueError, TypeError):
+                continue
+    
+    debug_print(f"⚠️ 无法获取容器 '{vessel_id}' 的体积，返回默认值 0.0mL")
+    return 0.0
+
+def update_vessel_volume(vessel: dict, G: nx.DiGraph, new_volume: float, description: str = "") -> None:
+    """
+    更新容器体积（同时更新vessel字典和图节点）
+    
+    Args:
+        vessel: 容器字典
+        G: 网络图
+        new_volume: 新体积
+        description: 更新描述
+    """
+    vessel_id = vessel.get("id", "unknown")
+    
+    if description:
+        debug_print(f"🔧 更新容器体积 - {description}")
+    
+    # 更新vessel字典中的体积
+    if "data" in vessel:
+        if "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]
+            else:
+                vessel["data"]["liquid_volume"] = new_volume
+        else:
+            vessel["data"]["liquid_volume"] = new_volume
+    else:
+        vessel["data"] = {"liquid_volume": new_volume}
+    
+    # 同时更新图中的容器数据
+    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"📊 容器 '{vessel_id}' 体积已更新为: {new_volume:.2f}mL")
+
 def generate_wash_solid_protocol(
    G: nx.DiGraph,
-    vessel: str,
+    vessel: Union[str, dict],  # 🔧 修改：支持vessel字典
    solvent: str,
    volume: Union[float, str] = "50",
-    filtrate_vessel: str = "",
+    filtrate_vessel: Union[str, dict] = "",  # 🔧 修改：支持vessel字典
    temp: float = 25.0,
    stir: bool = False,
    stir_speed: float = 0.0,
@@ -172,21 +313,58 @@ def generate_wash_solid_protocol(
    **kwargs
 ) -> List[Dict[str, Any]]:
    """
-    生成固体清洗协议（精简版）
+    生成固体清洗协议 - 支持vessel字典和体积运算
+    
+    Args:
+        G: 有向图，节点为设备和容器，边为流体管道
+        vessel: 清洗容器字典（从XDL传入）或容器ID字符串
+        solvent: 清洗溶剂名称
+        volume: 溶剂体积（每次清洗）
+        filtrate_vessel: 滤液收集容器字典或容器ID字符串
+        temp: 清洗温度（°C）
+        stir: 是否搅拌
+        stir_speed: 搅拌速度（RPM）
+        time: 搅拌时间
+        repeats: 清洗重复次数
+        volume_spec: 体积规格（small/medium/large）
+        repeats_spec: 重复次数规格（few/several/many）
+        mass: 固体质量（用于计算溶剂用量）
+        event: 事件描述
+        **kwargs: 其他可选参数
+    
+    Returns:
+        List[Dict[str, Any]]: 固体清洗操作的动作序列
    """
    
+    # 🔧 核心修改：从vessel参数中提取vessel_id
+    vessel_id = extract_vessel_id(vessel)
+    vessel_display = get_vessel_display_info(vessel)
+    
+    # 🔧 处理filtrate_vessel参数
+    filtrate_vessel_id = extract_vessel_id(filtrate_vessel) if filtrate_vessel else ""
+    
    debug_print("🧼" * 20)
-    debug_print("🚀 开始生成固体清洗协议 ✨")
+    debug_print("🚀 开始生成固体清洗协议（支持vessel字典和体积运算）✨")
    debug_print(f"📝 输入参数:")
-    debug_print(f"  🥽 vessel: {vessel}")
+    debug_print(f"  🥽 vessel: {vessel_display} (ID: {vessel_id})")
    debug_print(f"  🧪 solvent: {solvent}")
    debug_print(f"  💧 volume: {volume}")
+    debug_print(f"  🗑️ filtrate_vessel: {filtrate_vessel_id}")
    debug_print(f"  ⏰ time: {time}")
    debug_print(f"  🔄 repeats: {repeats}")
    debug_print("🧼" * 20)
    
+    # 🔧 新增：记录清洗前的容器状态
+    debug_print("🔍 记录清洗前容器状态...")
+    if isinstance(vessel, dict):
+        original_volume = get_vessel_liquid_volume(vessel)
+        debug_print(f"📊 清洗前液体体积: {original_volume:.2f}mL")
+    else:
+        original_volume = 0.0
+        debug_print(f"📊 vessel为字符串格式，无法获取体积信息")
+    
    # 📋 快速验证
-    if not vessel or vessel not in G.nodes():
+    if not vessel_id or vessel_id not in G.nodes():  # 🔧 使用 vessel_id
        debug_print("❌ 容器验证失败! 😱")
        raise ValueError("vessel 参数无效")
    
@@ -225,8 +403,10 @@ def generate_wash_solid_protocol(
    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)
+        actual_filtrate_vessel = find_filtrate_vessel(G, filtrate_vessel_id)
        debug_print(f"🎉 设备配置完成 ✨")
+        debug_print(f"  🧪 溶剂源: {solvent_source}")
+        debug_print(f"  🗑️ 滤液容器: {actual_filtrate_vessel}")
    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)}")
@@ -235,6 +415,10 @@ def generate_wash_solid_protocol(
    debug_print("📍 步骤3: 生成清洗动作... 🧼")
    action_sequence = []
    
+    # 🔧 新增：体积变化跟踪变量
+    current_volume = original_volume
+    total_solvent_used = 0.0
+    
    for cycle in range(final_repeats):
        debug_print(f"  🔄 第{cycle+1}/{final_repeats}次清洗...")
        
@@ -242,10 +426,11 @@ def generate_wash_solid_protocol(
        try:
            from .pump_protocol import generate_pump_protocol_with_rinsing
            
+            debug_print(f"    💧 添加溶剂: {final_volume}mL {solvent}")
            transfer_actions = generate_pump_protocol_with_rinsing(
                G=G,
                from_vessel=solvent_source,
-                to_vessel=vessel,
+                to_vessel=vessel_id,  # 🔧 使用 vessel_id
                volume=final_volume,
                amount="",
                time=0.0,
@@ -261,17 +446,26 @@ def generate_wash_solid_protocol(
            if transfer_actions:
                action_sequence.extend(transfer_actions)
                debug_print(f"    ✅ 转移动作: {len(transfer_actions)}个 🚚")
+                
+                # 🔧 新增：更新体积 - 添加溶剂后
+                current_volume += final_volume
+                total_solvent_used += final_volume
+                
+                if isinstance(vessel, dict):
+                    update_vessel_volume(vessel, G, current_volume, 
+                                       f"第{cycle+1}次清洗添加{final_volume}mL溶剂后")
            
        except Exception as e:
            debug_print(f"    ❌ 转移失败: {str(e)} 😞")
        
        # 2. 搅拌（如果需要）
        if stir and final_time > 0:
+            debug_print(f"    🌪️ 搅拌: {final_time}s @ {stir_speed}RPM")
            stir_action = {
                "device_id": "stirrer_1",
                "action_name": "stir",
                "action_kwargs": {
-                    "vessel": vessel,
+                    "vessel": vessel_id,  # 🔧 使用 vessel_id
                    "time": str(time),
                    "stir_time": final_time,
                    "stir_speed": stir_speed,
@@ -282,11 +476,12 @@ def generate_wash_solid_protocol(
            debug_print(f"    ✅ 搅拌动作: {final_time}s, {stir_speed}RPM 🌪️")
        
        # 3. 过滤
+        debug_print(f"    🌊 过滤到: {actual_filtrate_vessel}")
        filter_action = {
            "device_id": "filter_1",
            "action_name": "filter",
            "action_kwargs": {
-                "vessel": vessel,
+                "vessel": vessel_id,  # 🔧 使用 vessel_id
                "filtrate_vessel": actual_filtrate_vessel,
                "temp": temp,
                "volume": final_volume
@@ -295,6 +490,15 @@ def generate_wash_solid_protocol(
        action_sequence.append(filter_action)
        debug_print(f"    ✅ 过滤动作: → {actual_filtrate_vessel} 🌊")
        
+        # 🔧 新增：更新体积 - 过滤后（液体被滤除）
+        # 假设滤液完全被移除，固体残留在容器中
+        filtered_volume = current_volume * 0.9  # 假设90%的液体被过滤掉
+        current_volume = current_volume - filtered_volume
+        
+        if isinstance(vessel, dict):
+            update_vessel_volume(vessel, G, current_volume, 
+                               f"第{cycle+1}次清洗过滤后")
+        
        # 4. 等待（缩短时间）
        wait_time = 5.0  # 🕐 缩短等待时间：10s → 5s
        action_sequence.append({
@@ -303,14 +507,146 @@ def generate_wash_solid_protocol(
        })
        debug_print(f"    ✅ 等待: {wait_time}s ⏰")
    
+    # 🔧 新增：清洗完成后的最终状态报告
+    if isinstance(vessel, dict):
+        final_volume_vessel = get_vessel_liquid_volume(vessel)
+    else:
+        final_volume_vessel = current_volume
+    
    # 🎊 总结
    debug_print("🧼" * 20)
    debug_print(f"🎉 固体清洗协议生成完成! ✨")
-    debug_print(f"📊 总动作数: {len(action_sequence)} 个")
-    debug_print(f"🥽 清洗容器: {vessel}")
-    debug_print(f"🧪 使用溶剂: {solvent}")
-    debug_print(f"💧 清洗体积: {final_volume}mL × {final_repeats}次")
+    debug_print(f"📊 协议统计:")
+    debug_print(f"  📋 总动作数: {len(action_sequence)} 个")
+    debug_print(f"  🥽 清洗容器: {vessel_display}")
+    debug_print(f"  🧪 使用溶剂: {solvent}")
+    debug_print(f"  💧 单次体积: {final_volume}mL")
+    debug_print(f"  🔄 清洗次数: {final_repeats}次")
+    debug_print(f"  💧 总溶剂用量: {total_solvent_used:.2f}mL")
+    debug_print(f"📊 体积变化统计:")
+    debug_print(f"  - 清洗前体积: {original_volume:.2f}mL")
+    debug_print(f"  - 清洗后体积: {final_volume_vessel:.2f}mL")
+    debug_print(f"  - 溶剂总用量: {total_solvent_used:.2f}mL")
    debug_print(f"⏱️ 预计总时间: {(final_time + 5) * final_repeats / 60:.1f} 分钟")
    debug_print("🧼" * 20)
    
-    return action_sequence
+    return action_sequence
+
+# 🔧 新增：便捷函数
+def wash_with_water(G: nx.DiGraph, vessel: Union[str, dict], 
+                   volume: Union[float, str] = "50", 
+                   repeats: int = 2) -> List[Dict[str, Any]]:
+    """用水清洗固体"""
+    vessel_display = get_vessel_display_info(vessel)
+    debug_print(f"💧 水洗固体: {vessel_display} ({repeats} 次)")
+    return generate_wash_solid_protocol(G, vessel, "water", volume=volume, repeats=repeats)
+
+def wash_with_ethanol(G: nx.DiGraph, vessel: Union[str, dict], 
+                     volume: Union[float, str] = "30", 
+                     repeats: int = 1) -> List[Dict[str, Any]]:
+    """用乙醇清洗固体"""
+    vessel_display = get_vessel_display_info(vessel)
+    debug_print(f"🍺 乙醇洗固体: {vessel_display} ({repeats} 次)")
+    return generate_wash_solid_protocol(G, vessel, "ethanol", volume=volume, repeats=repeats)
+
+def wash_with_acetone(G: nx.DiGraph, vessel: Union[str, dict], 
+                     volume: Union[float, str] = "25", 
+                     repeats: int = 1) -> List[Dict[str, Any]]:
+    """用丙酮清洗固体"""
+    vessel_display = get_vessel_display_info(vessel)
+    debug_print(f"💨 丙酮洗固体: {vessel_display} ({repeats} 次)")
+    return generate_wash_solid_protocol(G, vessel, "acetone", volume=volume, repeats=repeats)
+
+def wash_with_ether(G: nx.DiGraph, vessel: Union[str, dict], 
+                   volume: Union[float, str] = "40", 
+                   repeats: int = 2) -> List[Dict[str, Any]]:
+    """用乙醚清洗固体"""
+    vessel_display = get_vessel_display_info(vessel)
+    debug_print(f"🌬️ 乙醚洗固体: {vessel_display} ({repeats} 次)")
+    return generate_wash_solid_protocol(G, vessel, "diethyl_ether", volume=volume, repeats=repeats)
+
+def wash_with_cold_solvent(G: nx.DiGraph, vessel: Union[str, dict], 
+                          solvent: str, volume: Union[float, str] = "30", 
+                          repeats: int = 1) -> List[Dict[str, Any]]:
+    """用冷溶剂清洗固体"""
+    vessel_display = get_vessel_display_info(vessel)
+    debug_print(f"❄️ 冷{solvent}洗固体: {vessel_display} ({repeats} 次)")
+    return generate_wash_solid_protocol(G, vessel, solvent, volume=volume, 
+                                      temp=5.0, repeats=repeats)
+
+def wash_with_hot_solvent(G: nx.DiGraph, vessel: Union[str, dict], 
+                         solvent: str, volume: Union[float, str] = "50", 
+                         repeats: int = 1) -> List[Dict[str, Any]]:
+    """用热溶剂清洗固体"""
+    vessel_display = get_vessel_display_info(vessel)
+    debug_print(f"🔥 热{solvent}洗固体: {vessel_display} ({repeats} 次)")
+    return generate_wash_solid_protocol(G, vessel, solvent, volume=volume, 
+                                      temp=60.0, repeats=repeats)
+
+def wash_with_stirring(G: nx.DiGraph, vessel: Union[str, dict], 
+                      solvent: str, volume: Union[float, str] = "50", 
+                      stir_time: Union[str, float] = "5 min", 
+                      repeats: int = 1) -> List[Dict[str, Any]]:
+    """带搅拌的溶剂清洗"""
+    vessel_display = get_vessel_display_info(vessel)
+    debug_print(f"🌪️ 搅拌清洗: {vessel_display} with {solvent} ({repeats} 次)")
+    return generate_wash_solid_protocol(G, vessel, solvent, volume=volume, 
+                                      stir=True, stir_speed=200.0, 
+                                      time=stir_time, repeats=repeats)
+
+def thorough_wash(G: nx.DiGraph, vessel: Union[str, dict], 
+                 solvent: str, volume: Union[float, str] = "50") -> List[Dict[str, Any]]:
+    """彻底清洗（多次重复）"""
+    vessel_display = get_vessel_display_info(vessel)
+    debug_print(f"🔄 彻底清洗: {vessel_display} with {solvent} (5 次)")
+    return generate_wash_solid_protocol(G, vessel, solvent, volume=volume, repeats=5)
+
+def quick_rinse(G: nx.DiGraph, vessel: Union[str, dict], 
+               solvent: str, volume: Union[float, str] = "20") -> List[Dict[str, Any]]:
+    """快速冲洗（单次，小体积）"""
+    vessel_display = get_vessel_display_info(vessel)
+    debug_print(f"⚡ 快速冲洗: {vessel_display} with {solvent}")
+    return generate_wash_solid_protocol(G, vessel, solvent, volume=volume, repeats=1)
+
+def sequential_wash(G: nx.DiGraph, vessel: Union[str, dict], 
+                   solvents: list, volume: Union[float, str] = "40") -> List[Dict[str, Any]]:
+    """连续多溶剂清洗"""
+    vessel_display = get_vessel_display_info(vessel)
+    debug_print(f"📝 连续清洗: {vessel_display} with {' → '.join(solvents)}")
+    
+    action_sequence = []
+    for solvent in solvents:
+        wash_actions = generate_wash_solid_protocol(G, vessel, solvent, 
+                                                   volume=volume, repeats=1)
+        action_sequence.extend(wash_actions)
+    
+    return action_sequence
+
+# 测试函数
+def test_wash_solid_protocol():
+    """测试固体清洗协议"""
+    debug_print("🧪 === WASH SOLID PROTOCOL 测试 === ✨")
+    
+    # 测试vessel参数处理
+    debug_print("🔧 测试vessel参数处理...")
+    
+    # 测试字典格式
+    vessel_dict = {"id": "filter_flask_1", "name": "过滤瓶1", 
+                  "data": {"liquid_volume": 25.0}}
+    vessel_id = extract_vessel_id(vessel_dict)
+    vessel_display = get_vessel_display_info(vessel_dict)
+    volume = get_vessel_liquid_volume(vessel_dict)
+    debug_print(f"  字典格式: {vessel_dict}")
+    debug_print(f"    → ID: {vessel_id}, 显示: {vessel_display}, 体积: {volume}mL")
+    
+    # 测试字符串格式
+    vessel_str = "filter_flask_2"
+    vessel_id = extract_vessel_id(vessel_str)
+    vessel_display = get_vessel_display_info(vessel_str)
+    debug_print(f"  字符串格式: {vessel_str}")
+    debug_print(f"    → ID: {vessel_id}, 显示: {vessel_display}")
+    
+    debug_print("✅ 测试完成 🎉")
+
+if __name__ == "__main__":
+    test_wash_solid_protocol()