import numpy as np import networkx as nx def generate_separate_protocol( G: nx.DiGraph, purpose: str, # 'wash' or 'extract'. 'wash' means that product phase will not be the added solvent phase, 'extract' means product phase will be the added solvent phase. If no solvent is added just use 'extract'. product_phase: str, # 'top' or 'bottom'. Phase that product will be in. from_vessel: str, #Contents of from_vessel are transferred to separation_vessel and separation is performed. separation_vessel: str, # Vessel in which separation of phases will be carried out. to_vessel: str, # Vessel to send product phase to. waste_phase_to_vessel: str, # Optional. Vessel to send waste phase to. solvent: str, # Optional. Solvent to add to separation vessel after contents of from_vessel has been transferred to create two phases. solvent_volume: float = 50, # Optional. Volume of solvent to add (mL). through: str = "", # Optional. Solid chemical to send product phase through on way to to_vessel, e.g. 'celite'. repeats: int = 1, # Optional. Number of separations to perform. stir_time: float = 30, # Optional. Time stir for after adding solvent, before separation of phases. stir_speed: float = 300, # Optional. Speed to stir at after adding solvent, before separation of phases. settling_time: float = 300 # Optional. Time ) -> 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 = [] reactor_volume = 500.0 waste_vessel = waste_phase_to_vessel # TODO：通过物料管理系统找到溶剂的容器 if "," in solvent: solvents = solvent.split(",") assert len(solvents) == repeats, "Number of solvents must match number of repeats." else: solvents = [solvent] * repeats # TODO: 通过设备连接图找到分离容器的控制器、底部出口 separator_controller = f"{separation_vessel}_controller" separation_vessel_bottom = f"flask_{separation_vessel}" transfer_flowrate = flowrate = 2.5 if from_vessel != separation_vessel: pump_action_sequence.append( { "device_id": "", "action_name": "PumpTransferProtocol", "action_kwargs": { "from_vessel": from_vessel, "to_vessel": separation_vessel, "volume": reactor_volume, "time": reactor_volume / flowrate, # "transfer_flowrate": transfer_flowrate, } } ) # for i in range(2): # pump_action_sequence.append( # { # "device_id": "", # "action_name": "CleanProtocol", # "action_kwargs": { # "vessel": from_vessel, # "solvent": "H2O", # Solvent to clean vessel with. # "volume": solvent_volume, # Optional. Volume of solvent to clean vessel with. # "temp": 25.0, # Optional. Temperature to heat vessel to while cleaning. # "repeats": 1 # } # } # ) # pump_action_sequence.append( # { # "device_id": "", # "action_name": "CleanProtocol", # "action_kwargs": { # "vessel": from_vessel, # "solvent": "CH2Cl2", # Solvent to clean vessel with. # "volume": solvent_volume, # Optional. Volume of solvent to clean vessel with. # "temp": 25.0, # Optional. Temperature to heat vessel to while cleaning. # "repeats": 1 # } # } # ) # 生成泵操作的动作序列 for i in range(repeats): # 找到当次萃取所用溶剂 solvent_thistime = solvents[i] solvent_vessel = f"flask_{solvent_thistime}" pump_action_sequence.append( { "device_id": "", "action_name": "PumpTransferProtocol", "action_kwargs": { "from_vessel": solvent_vessel, "to_vessel": separation_vessel, "volume": solvent_volume, "time": solvent_volume / flowrate, # "transfer_flowrate": transfer_flowrate, } } ) pump_action_sequence.extend([ # 搅拌、静置 { "device_id": separator_controller, "action_name": "stir", "action_kwargs": { "stir_time": stir_time, "stir_speed": stir_speed, "settling_time": settling_time } }, # 分液（判断电导突跃） { "device_id": separator_controller, "action_name": "valve_open", "action_kwargs": { "command": "delta > 0.05" } } ]) if product_phase == "bottom": # 产物转移到目标瓶 pump_action_sequence.append( { "device_id": "", "action_name": "PumpTransferProtocol", "action_kwargs": { "from_vessel": separation_vessel_bottom, "to_vessel": to_vessel, "volume": 250.0, "time": 250.0 / flowrate, # "transfer_flowrate": transfer_flowrate, } } ) # 放出上面那一相，60秒后关阀门 pump_action_sequence.append( { "device_id": separator_controller, "action_name": "valve_open", "action_kwargs": { "command": "time > 60" } } ) # 弃去上面那一相进废液 pump_action_sequence.append( { "device_id": "", "action_name": "PumpTransferProtocol", "action_kwargs": { "from_vessel": separation_vessel_bottom, "to_vessel": waste_vessel, "volume": 250.0, "time": 250.0 / flowrate, # "transfer_flowrate": transfer_flowrate, } } ) elif product_phase == "top": # 弃去下面那一相进废液 pump_action_sequence.append( { "device_id": "", "action_name": "PumpTransferProtocol", "action_kwargs": { "from_vessel": separation_vessel_bottom, "to_vessel": waste_vessel, "volume": 250.0, "time": 250.0 / flowrate, # "transfer_flowrate": transfer_flowrate, } } ) # 放出上面那一相 pump_action_sequence.append( { "device_id": separator_controller, "action_name": "valve_open", "action_kwargs": { "command": "time > 60" } } ) # 产物转移到目标瓶 pump_action_sequence.append( { "device_id": "", "action_name": "PumpTransferProtocol", "action_kwargs": { "from_vessel": separation_vessel_bottom, "to_vessel": to_vessel, "volume": 250.0, "time": 250.0 / flowrate, # "transfer_flowrate": transfer_flowrate, } } ) elif product_phase == "organic": pass # 如果不是最后一次，从中转瓶转移回分液漏斗 if i < repeats - 1: pump_action_sequence.append( { "device_id": "", "action_name": "PumpTransferProtocol", "action_kwargs": { "from_vessel": to_vessel, "to_vessel": separation_vessel, "volume": 250.0, "time": 250.0 / flowrate, # "transfer_flowrate": transfer_flowrate, } } ) return pump_action_sequence