Add Mock Device for Organic Synthesis\添加有机合成的虚拟仪器和Protocol (#43)

* Add Device MockChiller

Add device MockChiller

* Add Device MockFilter

* Add Device MockPump

* Add Device MockRotavap

* Add Device MockSeparator

* Add Device MockStirrer

* Add Device MockHeater

* Add Device MockVacuum

* Add Device MockSolenoidValve

* Add Device Mock \_init_.py

* 规范模拟设备代码与注册表信息

* 更改Mock大写文件夹名

* 删除大写目录

* Edited Mock device json

* Match mock device with action

* Edit mock device yaml

* Add new action

* Add Virtual Device, Action, YAML, Protocol for Organic Syn

* 单独分类测试的protocol文件夹

* 更名Action

---------

Co-authored-by: Xuwznln <18435084+Xuwznln@users.noreply.github.com>

unilabos/compile/clean_vessel_protocol.py

@@ -0,0 +1,126 @@
+from typing import List, Dict, Any
+import networkx as nx
+
+def generate_clean_vessel_protocol(
+    G: nx.DiGraph,
+    vessel: str,
+    solvent: str,
+    volume: float,
+    temp: float,
+    repeats: int = 1
+) -> List[Dict[str, Any]]:
+    """
+    生成容器清洗操作的协议序列，使用transfer操作实现清洗
+    
+    Args:
+        G: 有向图，节点为设备和容器
+        vessel: 要清洗的容器名称
+        solvent: 用于清洗容器的溶剂名称
+        volume: 清洗溶剂的体积
+        temp: 清洗时的温度
+        repeats: 清洗操作的重复次数，默认为 1
+    
+    Returns:
+        List[Dict[str, Any]]: 容器清洗操作的动作序列
+    
+    Raises:
+        ValueError: 当找不到必要的设备时抛出异常
+    
+    Examples:
+        clean_vessel_protocol = generate_clean_vessel_protocol(G, "reactor", "water", 50.0, 25.0, 2)
+    """
+    action_sequence = []
+    
+    # 查找虚拟转移泵设备进行清洗操作
+    pump_nodes = [node for node in G.nodes() 
+                  if G.nodes[node].get('class') == 'virtual_transfer_pump']
+    
+    if not pump_nodes:
+        raise ValueError("没有找到可用的转移泵设备进行容器清洗")
+    
+    pump_id = pump_nodes[0]
+    
+    # 验证容器是否存在
+    if vessel not in G.nodes():
+        raise ValueError(f"容器 {vessel} 不存在于图中")
+    
+    # 查找溶剂容器
+    solvent_vessel = f"flask_{solvent}"
+    if solvent_vessel not in G.nodes():
+        raise ValueError(f"溶剂容器 {solvent_vessel} 不存在于图中")
+    
+    # 查找废液容器
+    waste_vessel = "flask_waste"
+    if waste_vessel not in G.nodes():
+        raise ValueError(f"废液容器 {waste_vessel} 不存在于图中")
+    
+    # 查找加热设备（如果需要加热）
+    heatchill_nodes = [node for node in G.nodes() 
+                      if G.nodes[node].get('class') == 'virtual_heatchill']
+    
+    heatchill_id = heatchill_nodes[0] if heatchill_nodes else None
+    
+    # 执行清洗操作序列
+    for repeat in range(repeats):
+        # 1. 如果需要加热，先设置温度
+        if temp > 25.0 and heatchill_id:
+            action_sequence.append({
+                "device_id": heatchill_id,
+                "action_name": "heat_chill_start",
+                "action_kwargs": {
+                    "vessel": vessel,
+                    "temp": temp,
+                    "purpose": "cleaning"
+                }
+            })
+        
+        # 2. 使用transfer操作：从溶剂容器转移清洗溶剂到目标容器
+        action_sequence.append({
+            "device_id": pump_id,
+            "action_name": "transfer",
+            "action_kwargs": {
+                "from_vessel": solvent_vessel,
+                "to_vessel": vessel,
+                "volume": volume,
+                "amount": f"cleaning with {solvent} - cycle {repeat + 1}",
+                "time": 0.0,
+                "viscous": False,
+                "rinsing_solvent": "",
+                "rinsing_volume": 0.0,
+                "rinsing_repeats": 0,
+                "solid": False
+            }
+        })
+        
+        # 3. 等待清洗作用时间（可选，可以添加wait操作）
+        # 这里省略wait操作，直接进行下一步
+        
+        # 4. 将清洗后的溶剂转移到废液容器
+        action_sequence.append({
+            "device_id": pump_id,
+            "action_name": "transfer",
+            "action_kwargs": {
+                "from_vessel": vessel,
+                "to_vessel": waste_vessel,
+                "volume": volume,
+                "amount": f"waste from cleaning {vessel} - cycle {repeat + 1}",
+                "time": 0.0,
+                "viscous": False,
+                "rinsing_solvent": "",
+                "rinsing_volume": 0.0,
+                "rinsing_repeats": 0,
+                "solid": False
+            }
+        })
+        
+        # 5. 如果加热了，停止加热
+        if temp > 25.0 and heatchill_id:
+            action_sequence.append({
+                "device_id": heatchill_id,
+                "action_name": "heat_chill_stop",
+                "action_kwargs": {
+                    "vessel": vessel
+                }
+            })
+    
+    return action_sequence