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/dissolve_protocol.py

@@ -0,0 +1,162 @@
+from typing import List, Dict, Any
+import networkx as nx
+
+def generate_dissolve_protocol(
+    G: nx.DiGraph,
+    vessel: str,
+    solvent: str,
+    volume: float,
+    amount: str = "",
+    temp: float = 25.0,
+    time: float = 0.0,
+    stir_speed: float = 0.0
+) -> List[Dict[str, Any]]:
+    """
+    生成溶解操作的协议序列
+    
+    Args:
+        G: 有向图，节点为设备和容器
+        vessel: 装有要溶解物质的容器名称
+        solvent: 用于溶解物质的溶剂名称
+        volume: 溶剂的体积，可选参数
+        amount: 要溶解物质的量，可选参数
+        temp: 溶解时的温度，可选参数
+        time: 溶解的时间，可选参数
+        stir_speed: 搅拌速度，可选参数
+    
+    Returns:
+        List[Dict[str, Any]]: 溶解操作的动作序列
+    
+    Raises:
+        ValueError: 当找不到必要的设备时抛出异常
+    
+    Examples:
+        dissolve_protocol = generate_dissolve_protocol(G, "reactor", "water", 100.0, "NaCl 5g", 60.0, 300.0, 500.0)
+    """
+    action_sequence = []
+    
+    # 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():
+        # 如果没有找到特定溶剂容器，查找可用的源容器
+        available_vessels = [node for node in G.nodes() 
+                           if node.startswith('flask_') and 
+                           G.nodes[node].get('type') == 'container']
+        if available_vessels:
+            solvent_vessel = available_vessels[0]
+        else:
+            raise ValueError(f"没有找到溶剂容器 {solvent}")
+    
+    # 查找转移泵设备
+    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")
+    
+    pump_id = pump_nodes[0]
+    
+    # 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
+    
+    # 查找搅拌设备（如果需要搅拌）
+    stirrer_nodes = [node for node in G.nodes() 
+                    if G.nodes[node].get('class') == 'virtual_stirrer']
+    
+    stirrer_id = stirrer_nodes[0] if stirrer_nodes else None
+    
+    # 步骤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": "dissolution"
+            }
+        })
+    
+    # 步骤2：添加溶剂到容器中
+    if volume > 0:
+        action_sequence.append({
+            "device_id": pump_id,
+            "action_name": "transfer",
+            "action_kwargs": {
+                "from_vessel": solvent_vessel,
+                "to_vessel": vessel,
+                "volume": volume,
+                "amount": f"solvent {solvent} for dissolving {amount}",
+                "time": 0.0,
+                "viscous": False,
+                "rinsing_solvent": "",
+                "rinsing_volume": 0.0,
+                "rinsing_repeats": 0,
+                "solid": False
+            }
+        })
+    
+    # 步骤3：如果需要搅拌，开始搅拌
+    if stir_speed > 0 and stirrer_id:
+        action_sequence.append({
+            "device_id": stirrer_id,
+            "action_name": "start_stir",
+            "action_kwargs": {
+                "vessel": vessel,
+                "stir_speed": stir_speed,
+                "purpose": f"dissolving {amount} in {solvent}"
+            }
+        })
+    
+    # 步骤4：如果指定了溶解时间，等待溶解完成
+    if time > 0:
+        # 这里可以添加等待操作，或者使用搅拌操作来模拟溶解时间
+        if stirrer_id and stir_speed > 0:
+            # 停止之前的搅拌，使用定时搅拌
+            action_sequence.append({
+                "device_id": stirrer_id,
+                "action_name": "stop_stir",
+                "action_kwargs": {
+                    "vessel": vessel
+                }
+            })
+            
+            # 开始定时搅拌
+            action_sequence.append({
+                "device_id": stirrer_id,
+                "action_name": "stir",
+                "action_kwargs": {
+                    "stir_time": time,
+                    "stir_speed": stir_speed,
+                    "settling_time": 10.0  # 搅拌后静置10秒
+                }
+            })
+    
+    # 步骤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
+            }
+        })
+    
+    # 步骤6：如果还在搅拌，停止搅拌（除非已经用定时搅拌）
+    if stir_speed > 0 and stirrer_id and time == 0:
+        action_sequence.append({
+            "device_id": stirrer_id,
+            "action_name": "stop_stir",
+            "action_kwargs": {
+                "vessel": vessel
+            }
+        })
+    
+    return action_sequence