Initial commit

unilabos/compile/clean_protocol.py

@@ -0,0 +1,62 @@
+import numpy as np
+import networkx as nx
+
+
+def generate_clean_protocol(
+    G: nx.DiGraph, 
+    vessel: str,  # Vessel to clean.
+    solvent: str, # Solvent to clean vessel with.
+    volume: float = 25000.0, # Optional. Volume of solvent to clean vessel with.
+    temp: float = 25, # Optional. Temperature to heat vessel to while cleaning.
+    repeats: int = 1, # Optional. Number of cleaning cycles to perform.
+) -> list[dict]:
+    """
+    Generate a protocol to clean a vessel with a solvent.
+    
+    :param G: Directed graph. Nodes are containers and pumps, edges are fluidic connections.
+    :param vessel: Vessel to clean.
+    :param solvent: Solvent to clean vessel with.
+    :param volume: Volume of solvent to clean vessel with.
+    :param temp: Temperature to heat vessel to while cleaning.
+    :param repeats: Number of cleaning cycles to perform.
+    :return: List of actions to clean vessel.
+    """
+    
+    # 生成泵操作的动作序列
+    pump_action_sequence = []
+    from_vessel = f"flask_{solvent}"
+    waste_vessel = f"waste_workup"
+    
+    transfer_flowrate = flowrate = 2500.0
+    
+    # 生成泵操作的动作序列
+    for i in range(repeats):
+        # 单泵依次执行阀指令、活塞指令，将液体吸入与之相连的第一台泵
+        pump_action_sequence.extend([
+            {
+                "device_id": "", 
+                "action_name": "PumpTransferProtocol",
+                "action_kwargs": {
+                    "from_vessel": from_vessel,
+                    "to_vessel": vessel,
+                    "volume": volume,
+                    "time": volume / flowrate,
+                    # "transfer_flowrate": transfer_flowrate,
+                }
+            }
+        ])
+        
+        pump_action_sequence.extend([
+            {
+                "device_id": "", 
+                "action_name": "PumpTransferProtocol",
+                "action_kwargs": {
+                    "from_vessel": vessel,
+                    "to_vessel": waste_vessel,
+                    "volume": volume,
+                    "time": volume / flowrate,
+                    # "transfer_flowrate": transfer_flowrate,
+                }
+            }
+        ])
+    return pump_action_sequence