action to resource & 0.9.12

unilabos/compile/dry_protocol.py

@@ -46,8 +46,8 @@ def find_connected_heater(G: nx.DiGraph, vessel: str) -> str:
 
 def generate_dry_protocol(
     G: nx.DiGraph,
-    compound: str,
-    vessel: str,
+    vessel: dict,  # 🔧 修改：从字符串改为字典类型
+    compound: str = "",  # 🔧 修改：参数顺序调整，并设置默认值
     **kwargs  # 接收其他可能的参数但不使用
 ) -> List[Dict[str, Any]]:
     """
@@ -55,13 +55,16 @@ def generate_dry_protocol(
     
     Args:
         G: 有向图，节点为容器和设备
-        compound: 化合物名称（从XDL传入）
-        vessel: 目标容器（从XDL传入）
+        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
     """
+    # 🔧 核心修改：从字典中提取容器ID
+    vessel_id = vessel["id"]
+    
     action_sequence = []
     
     # 默认参数
@@ -70,33 +73,83 @@ def generate_dry_protocol(
     simulation_time = 60.0  # 模拟时间 1分钟
     
     print(f"🌡️ DRY: 开始生成干燥协议 ✨")
-    print(f"  🧪 化合物: {compound}")
-    print(f"  🥽 容器: {vessel}")
+    print(f"  🥽 vessel: {vessel} (ID: {vessel_id})")
+    print(f"  🧪 化合物: {compound or '未指定'}")
     print(f"  🔥 干燥温度: {dry_temp}°C")
     print(f"  ⏰ 干燥时间: {dry_time/60:.0f} 分钟")
     
+    # 🔧 新增：记录干燥前的容器状态
+    print(f"🔍 记录干燥前容器状态...")
+    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
+    print(f"📊 干燥前液体体积: {original_liquid_volume:.2f}mL")
+    
     # 1. 验证目标容器存在
-    print(f"\n📋 步骤1: 验证目标容器 '{vessel}' 是否存在...")
-    if vessel not in G.nodes():
-        print(f"⚠️ DRY: 警告 - 容器 '{vessel}' 不存在于系统中，跳过干燥 😢")
+    print(f"\n📋 步骤1: 验证目标容器 '{vessel_id}' 是否存在...")
+    if vessel_id not in G.nodes():
+        print(f"⚠️ DRY: 警告 - 容器 '{vessel_id}' 不存在于系统中，跳过干燥 😢")
         return action_sequence
-    print(f"✅ 容器 '{vessel}' 验证通过!")
+    print(f"✅ 容器 '{vessel_id}' 验证通过!")
     
     # 2. 查找相连的加热器
     print(f"\n🔍 步骤2: 查找与容器相连的加热器...")
-    heater_id = find_connected_heater(G, vessel)
+    heater_id = find_connected_heater(G, vessel_id)  # 🔧 使用 vessel_id
     
     if heater_id is None:
-        print(f"😭 DRY: 警告 - 未找到与容器 '{vessel}' 相连的加热器，跳过干燥")
+        print(f"😭 DRY: 警告 - 未找到与容器 '{vessel_id}' 相连的加热器，跳过干燥")
         print(f"🎭 添加模拟干燥动作...")
         # 添加一个等待动作，表示干燥过程（模拟）
         action_sequence.append({
             "action_name": "wait",
             "action_kwargs": {
                 "time": 10.0,  # 模拟等待时间
-                "description": f"模拟干燥 {compound} (无加热器可用)"
+                "description": f"模拟干燥 {compound or '化合物'} (无加热器可用)"
             }
         })
+        
+        # 🔧 新增：模拟干燥的体积变化（溶剂蒸发）
+        print(f"🔧 模拟干燥过程的体积减少...")
+        if original_liquid_volume > 0:
+            # 假设干燥过程中损失10%的体积（溶剂蒸发）
+            volume_loss = original_liquid_volume * 0.1
+            new_volume = max(0.0, original_liquid_volume - volume_loss)
+            
+            # 更新vessel字典中的体积
+            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
+            
+            # 🔧 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
+            
+            print(f"📊 模拟干燥体积变化: {original_liquid_volume:.2f}mL → {new_volume:.2f}mL (-{volume_loss:.2f}mL)")
+        
         print(f"📄 DRY: 协议生成完成，共 {len(action_sequence)} 个动作 🎯")
         return action_sequence
     
@@ -112,9 +165,9 @@ def generate_dry_protocol(
         "device_id": heater_id,
         "action_name": "heat_chill_start",
         "action_kwargs": {
-            "vessel": vessel,
+            "vessel": vessel_id,  # 🔧 使用 vessel_id
             "temp": dry_temp,
-            "purpose": f"干燥 {compound}"
+            "purpose": f"干燥 {compound or '化合物'}"
         }
     })
     print(f"  ✅ 加热器启动命令已添加 🔥")
@@ -136,21 +189,67 @@ def generate_dry_protocol(
         "device_id": heater_id,
         "action_name": "heat_chill",
         "action_kwargs": {
-            "vessel": vessel,
+            "vessel": vessel_id,  # 🔧 使用 vessel_id
             "temp": dry_temp,
             "time": simulation_time,
-            "purpose": f"干燥 {compound}，保持温度 {dry_temp}°C"
+            "purpose": f"干燥 {compound or '化合物'}，保持温度 {dry_temp}°C"
         }
     })
     print(f"  ✅ 温度保持命令已添加 🌡️⏰")
     
+    # 🔧 新增：干燥过程中的体积变化计算
+    print(f"🔧 计算干燥过程中的体积变化...")
+    if original_liquid_volume > 0:
+        # 干燥过程中，溶剂会蒸发，固体保留
+        # 根据温度和时间估算蒸发量
+        evaporation_rate = 0.001 * dry_temp  # 每秒每°C蒸发0.001mL
+        total_evaporation = min(original_liquid_volume * 0.8, 
+                               evaporation_rate * simulation_time)  # 最多蒸发80%
+        
+        new_volume = max(0.0, original_liquid_volume - total_evaporation)
+        
+        # 更新vessel字典中的体积
+        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
+        
+        # 🔧 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
+        
+        print(f"📊 干燥体积变化计算:")
+        print(f"  - 初始体积: {original_liquid_volume:.2f}mL")
+        print(f"  - 蒸发量: {total_evaporation:.2f}mL")
+        print(f"  - 剩余体积: {new_volume:.2f}mL")
+        print(f"  - 蒸发率: {(total_evaporation/original_liquid_volume*100):.1f}%")
+    
     # 3.4 停止加热
     print(f"  ⏹️ 动作4: 停止加热...")
     action_sequence.append({
         "device_id": heater_id,
         "action_name": "heat_chill_stop",
         "action_kwargs": {
-            "vessel": vessel,
+            "vessel": vessel_id,  # 🔧 使用 vessel_id
             "purpose": f"干燥完成，停止加热"
         }
     })
@@ -162,18 +261,67 @@ def generate_dry_protocol(
         "action_name": "wait",
         "action_kwargs": {
             "time": 10.0,  # 等待10秒冷却
-            "description": f"等待 {compound} 冷却"
+            "description": f"等待 {compound or '化合物'} 冷却"
         }
     })
     print(f"  ✅ 冷却等待命令已添加 🧊")
     
+    # 🔧 新增：干燥完成后的状态报告
+    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
+    
     print(f"\n🎊 DRY: 协议生成完成，共 {len(action_sequence)} 个动作 🎯")
-    print(f"⏱️ DRY: 预计总时间: {(dry_time + 360)/60:.0f} 分钟 ⌛")
+    print(f"⏱️ DRY: 预计总时间: {(simulation_time + 30)/60:.0f} 分钟 ⌛")
+    print(f"📊 干燥结果:")
+    print(f"  - 容器: {vessel_id}")
+    print(f"  - 化合物: {compound or '未指定'}")
+    print(f"  - 干燥前体积: {original_liquid_volume:.2f}mL")
+    print(f"  - 干燥后体积: {final_liquid_volume:.2f}mL")
+    print(f"  - 蒸发体积: {(original_liquid_volume - final_liquid_volume):.2f}mL")
     print(f"🏁 所有动作序列准备就绪! ✨")
     
     return action_sequence
 
 
+# 🔧 新增：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"""
+    vessel_id = vessel["id"]
+    print(f"🌡️ 快速干燥: {compound or '化合物'} → {vessel_id} @ {temp}°C ({time}min)")
+    
+    # 临时修改默认参数
+    import types
+    temp_func = types.FunctionType(
+        generate_dry_protocol.__code__, 
+        generate_dry_protocol.__globals__
+    )
+    
+    # 直接调用原函数，但修改内部参数
+    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"""
+    vessel_id = vessel["id"]
+    print(f"🔥 深度干燥: {compound or '化合物'} → {vessel_id} @ {temp}°C ({time}min)")
+    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"""
+    vessel_id = vessel["id"]
+    print(f"🌡️ 温和干燥: {compound or '化合物'} → {vessel_id} @ {temp}°C ({time}min)")
+    return generate_dry_protocol(G, vessel, compound)
+
+
 # 测试函数
 def test_dry_protocol():
     """测试干燥协议"""