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

unilabos/compile/transfer_protocol.py

@@ -0,0 +1,79 @@
+from typing import List, Dict, Any
+import networkx as nx
+
+def generate_transfer_protocol(
+    G: nx.DiGraph,
+    from_vessel: str,
+    to_vessel: str,
+    volume: float,
+    amount: str = "",
+    time: float = 0,
+    viscous: bool = False,
+    rinsing_solvent: str = "",
+    rinsing_volume: float = 0.0,
+    rinsing_repeats: int = 0,
+    solid: bool = False
+) -> List[Dict[str, Any]]:
+    """
+    生成液体转移操作的协议序列
+    
+    Args:
+        G: 有向图，节点为设备和容器
+        from_vessel: 源容器
+        to_vessel: 目标容器
+        volume: 转移体积 (mL)
+        amount: 数量描述 (可选)
+        time: 转移时间 (秒，可选)
+        viscous: 是否为粘性液体
+        rinsing_solvent: 冲洗溶剂 (可选)
+        rinsing_volume: 冲洗体积 (mL，可选)
+        rinsing_repeats: 冲洗重复次数
+        solid: 是否涉及固体
+    
+    Returns:
+        List[Dict[str, Any]]: 转移操作的动作序列
+    
+    Raises:
+        ValueError: 当找不到合适的转移设备时抛出异常
+    
+    Examples:
+        transfer_protocol = generate_transfer_protocol(G, "flask_1", "reactor", 10.0)
+    """
+    action_sequence = []
+    
+    # 查找虚拟转移泵设备用于液体转移 - 修复：应该查找 virtual_transfer_pump
+    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液体转移")
+    
+    # 使用第一个可用的泵
+    pump_id = pump_nodes[0]
+    
+    # 验证容器是否存在
+    if from_vessel not in G.nodes():
+        raise ValueError(f"源容器 {from_vessel} 不存在于图中")
+    
+    if to_vessel not in G.nodes():
+        raise ValueError(f"目标容器 {to_vessel} 不存在于图中")
+    
+    # 执行液体转移操作 - 参数完全匹配Transfer.action
+    action_sequence.append({
+        "device_id": pump_id,
+        "action_name": "transfer",
+        "action_kwargs": {
+            "from_vessel": from_vessel,
+            "to_vessel": to_vessel,
+            "volume": volume,
+            "amount": amount,
+            "time": time,
+            "viscous": viscous,
+            "rinsing_solvent": rinsing_solvent,
+            "rinsing_volume": rinsing_volume,
+            "rinsing_repeats": rinsing_repeats,
+            "solid": solid
+        }
+    })
+    
+    return action_sequence