Initial commit

unilabos/compile/evaporate_protocol.py

@@ -0,0 +1,81 @@
+import numpy as np
+import networkx as nx
+
+
+def generate_evaporate_protocol(
+    G: nx.DiGraph, 
+    vessel: str,
+    pressure: float,
+    temp: float,
+    time: float,
+    stir_speed: float
+) -> list[dict]:
+    """
+    Generate a protocol to evaporate a solution from a vessel.
+    
+    :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 = []
+    reactor_volume = 500000.0
+    transfer_flowrate = flowrate = 2500.0
+    
+    # 开启冷凝器
+    pump_action_sequence.append({
+        "device_id": "rotavap_chiller",
+        "action_name": "set_temperature",
+        "action_kwargs": {
+            "command": "-40"
+        }
+    })
+    # TODO: 通过温度反馈改为 HeatChillToTemp，而非等待固定时间
+    pump_action_sequence.append({
+        "action_name": "wait",
+        "action_kwargs": {
+            "time": 1800
+        }
+    })
+    
+    # 开启旋蒸真空泵、旋转，在液体转移后运行time时间
+    pump_action_sequence.append({
+        "device_id": "rotavap_controller",
+        "action_name": "set_pump_time",
+        "action_kwargs": {
+            "command": str(time + reactor_volume / flowrate * 3)
+        }
+    })
+    pump_action_sequence.append({
+        "device_id": "rotavap_controller",
+        "action_name": "set_pump_time",
+        "action_kwargs": {
+            "command": str(time + reactor_volume / flowrate * 3)
+        }
+    })
+    
+    # 液体转入旋转蒸发器
+    pump_action_sequence.append({
+        "device_id": "", 
+        "action_name": "PumpTransferProtocol",
+        "action_kwargs": {
+            "from_vessel": vessel,
+            "to_vessel": "rotavap",
+            "volume": reactor_volume,
+            "time": reactor_volume / flowrate,
+            # "transfer_flowrate": transfer_flowrate,
+        }
+    })
+    
+    pump_action_sequence.append({
+        "action_name": "wait",
+        "action_kwargs": {
+            "time": time
+        }
+    })
+    return pump_action_sequence