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437 lines
16 KiB
Python
437 lines
16 KiB
Python
import numpy as np
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import networkx as nx
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from typing import List, Dict, Any, Optional
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from .pump_protocol import generate_pump_protocol_with_rinsing, generate_pump_protocol
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def find_gas_source(G: nx.DiGraph, gas: str) -> str:
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"""根据气体名称查找对应的气源"""
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# 按照命名规则查找气源
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gas_source_patterns = [
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f"gas_source_{gas}",
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f"gas_{gas}",
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f"flask_{gas}",
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f"{gas}_source"
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]
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for pattern in gas_source_patterns:
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if pattern in G.nodes():
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return pattern
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# 模糊匹配
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for node in G.nodes():
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node_class = G.nodes[node].get('class', '') or ''
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if 'gas_source' in node_class and gas.lower() in node.lower():
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return node
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if node.startswith('flask_') and gas.lower() in node.lower():
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return node
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# 查找所有可用的气源
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available_gas_sources = [
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node for node in G.nodes()
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if ((G.nodes[node].get('class') or '').startswith('virtual_gas_source')
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or ('gas' in node and 'source' in node)
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or (node.startswith('flask_') and any(g in node.lower() for g in ['air', 'nitrogen', 'argon', 'vacuum'])))
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]
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raise ValueError(f"找不到气体 '{gas}' 对应的气源。可用气源: {available_gas_sources}")
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def find_vacuum_pump(G: nx.DiGraph) -> str:
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"""查找真空泵设备"""
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vacuum_pumps = [
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node for node in G.nodes()
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if ((G.nodes[node].get('class') or '').startswith('virtual_vacuum_pump')
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or 'vacuum_pump' in node
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or 'vacuum' in (G.nodes[node].get('class') or ''))
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]
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if not vacuum_pumps:
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raise ValueError("系统中未找到真空泵设备")
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return vacuum_pumps[0]
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def find_connected_stirrer(G: nx.DiGraph, vessel: str) -> str:
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"""查找与指定容器相连的搅拌器"""
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stirrer_nodes = [node for node in G.nodes()
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if (G.nodes[node].get('class') or '') == 'virtual_stirrer']
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# 检查哪个搅拌器与目标容器相连
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for stirrer in stirrer_nodes:
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if G.has_edge(stirrer, vessel) or G.has_edge(vessel, stirrer):
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return stirrer
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return stirrer_nodes[0] if stirrer_nodes else None
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def find_associated_solenoid_valve(G: nx.DiGraph, device_id: str) -> Optional[str]:
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"""查找与指定设备相关联的电磁阀"""
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solenoid_valves = [
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node for node in G.nodes()
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if ('solenoid' in (G.nodes[node].get('class') or '').lower()
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or 'solenoid_valve' in node)
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]
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# 通过网络连接查找直接相连的电磁阀
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for solenoid in solenoid_valves:
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if G.has_edge(device_id, solenoid) or G.has_edge(solenoid, device_id):
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return solenoid
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# 通过命名规则查找关联的电磁阀
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device_type = ""
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if 'vacuum' in device_id.lower():
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device_type = "vacuum"
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elif 'gas' in device_id.lower():
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device_type = "gas"
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if device_type:
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for solenoid in solenoid_valves:
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if device_type in solenoid.lower():
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return solenoid
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return None
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def generate_evacuateandrefill_protocol(
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G: nx.DiGraph,
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vessel: str,
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gas: str,
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repeats: int = 1
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) -> List[Dict[str, Any]]:
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"""
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生成抽真空和充气操作的动作序列
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**修复版本**: 正确调用 pump_protocol 并处理异常
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"""
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action_sequence = []
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# 参数设置 - 关键修复：减小体积避免超出泵容量
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VACUUM_VOLUME = 20.0 # 减小抽真空体积
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REFILL_VOLUME = 20.0 # 减小充气体积
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PUMP_FLOW_RATE = 2.5 # 降低流速
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STIR_SPEED = 300.0
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print(f"EVACUATE_REFILL: 开始生成协议，目标容器: {vessel}, 气体: {gas}, 重复次数: {repeats}")
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# 1. 验证设备存在
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if vessel not in G.nodes():
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raise ValueError(f"目标容器 '{vessel}' 不存在于系统中")
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# 2. 查找设备
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try:
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vacuum_pump = find_vacuum_pump(G)
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vacuum_solenoid = find_associated_solenoid_valve(G, vacuum_pump)
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gas_source = find_gas_source(G, gas)
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gas_solenoid = find_associated_solenoid_valve(G, gas_source)
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stirrer_id = find_connected_stirrer(G, vessel)
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print(f"EVACUATE_REFILL: 找到设备")
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print(f" - 真空泵: {vacuum_pump}")
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print(f" - 气源: {gas_source}")
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print(f" - 真空电磁阀: {vacuum_solenoid}")
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print(f" - 气源电磁阀: {gas_solenoid}")
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print(f" - 搅拌器: {stirrer_id}")
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except ValueError as e:
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raise ValueError(f"设备查找失败: {str(e)}")
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# 3. **关键修复**: 验证路径存在性
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try:
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# 验证抽真空路径
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vacuum_path = nx.shortest_path(G, source=vessel, target=vacuum_pump)
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print(f"EVACUATE_REFILL: 抽真空路径: {' → '.join(vacuum_path)}")
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# 验证充气路径
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gas_path = nx.shortest_path(G, source=gas_source, target=vessel)
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print(f"EVACUATE_REFILL: 充气路径: {' → '.join(gas_path)}")
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# **新增**: 检查路径中的边数据
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for i in range(len(vacuum_path) - 1):
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nodeA, nodeB = vacuum_path[i], vacuum_path[i + 1]
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edge_data = G.get_edge_data(nodeA, nodeB)
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if not edge_data or 'port' not in edge_data:
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raise ValueError(f"路径 {nodeA} → {nodeB} 缺少端口信息")
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print(f" 抽真空路径边 {nodeA} → {nodeB}: {edge_data}")
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for i in range(len(gas_path) - 1):
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nodeA, nodeB = gas_path[i], gas_path[i + 1]
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edge_data = G.get_edge_data(nodeA, nodeB)
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if not edge_data or 'port' not in edge_data:
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raise ValueError(f"路径 {nodeA} → {nodeB} 缺少端口信息")
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print(f" 充气路径边 {nodeA} → {nodeB}: {edge_data}")
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except nx.NetworkXNoPath as e:
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raise ValueError(f"路径不存在: {str(e)}")
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except Exception as e:
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raise ValueError(f"路径验证失败: {str(e)}")
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# 4. 启动搅拌器
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if stirrer_id:
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action_sequence.append({
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"device_id": stirrer_id,
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"action_name": "start_stir",
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"action_kwargs": {
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"vessel": vessel,
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"stir_speed": STIR_SPEED,
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"purpose": "抽真空充气操作前启动搅拌"
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}
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})
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# 5. 执行多次抽真空-充气循环
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for cycle in range(repeats):
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print(f"EVACUATE_REFILL: === 第 {cycle+1}/{repeats} 次循环 ===")
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# ============ 抽真空阶段 ============
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print(f"EVACUATE_REFILL: 抽真空阶段开始")
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# 启动真空泵
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action_sequence.append({
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"device_id": vacuum_pump,
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"action_name": "set_status",
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"action_kwargs": {"string": "ON"}
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})
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# 开启真空电磁阀
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if vacuum_solenoid:
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action_sequence.append({
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"device_id": vacuum_solenoid,
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"action_name": "set_valve_position",
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"action_kwargs": {"command": "OPEN"}
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})
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# **关键修复**: 改进 pump_protocol 调用和错误处理
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print(f"EVACUATE_REFILL: 调用抽真空 pump_protocol: {vessel} → {vacuum_pump}")
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print(f" - 体积: {VACUUM_VOLUME} mL")
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print(f" - 流速: {PUMP_FLOW_RATE} mL/s")
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try:
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vacuum_transfer_actions = generate_pump_protocol_with_rinsing(
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G=G,
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from_vessel=vessel,
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to_vessel=vacuum_pump,
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volume=VACUUM_VOLUME,
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amount="",
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time=0.0,
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viscous=False,
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rinsing_solvent="", # **修复**: 明确不使用清洗
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rinsing_volume=0.0,
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rinsing_repeats=0,
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solid=False,
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flowrate=PUMP_FLOW_RATE,
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transfer_flowrate=PUMP_FLOW_RATE
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)
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if vacuum_transfer_actions:
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action_sequence.extend(vacuum_transfer_actions)
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print(f"EVACUATE_REFILL: ✅ 成功添加 {len(vacuum_transfer_actions)} 个抽真空动作")
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else:
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print(f"EVACUATE_REFILL: ⚠️ 抽真空 pump_protocol 返回空序列")
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# **修复**: 添加手动泵动作作为备选
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action_sequence.extend([
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{
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"device_id": "multiway_valve_1",
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"action_name": "set_valve_position",
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"action_kwargs": {"command": "5"} # 连接到反应器
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},
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{
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"device_id": "transfer_pump_1",
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"action_name": "set_position",
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"action_kwargs": {
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"position": VACUUM_VOLUME,
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"max_velocity": PUMP_FLOW_RATE
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}
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}
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])
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print(f"EVACUATE_REFILL: 使用备选手动泵动作")
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except Exception as e:
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print(f"EVACUATE_REFILL: ❌ 抽真空 pump_protocol 失败: {str(e)}")
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import traceback
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print(f"EVACUATE_REFILL: 详细错误:\n{traceback.format_exc()}")
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# **修复**: 添加手动动作而不是忽略错误
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print(f"EVACUATE_REFILL: 使用手动备选方案")
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action_sequence.extend([
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{
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"device_id": "multiway_valve_1",
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"action_name": "set_valve_position",
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"action_kwargs": {"command": "5"} # 反应器端口
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},
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{
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"device_id": "transfer_pump_1",
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"action_name": "set_position",
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"action_kwargs": {
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"position": VACUUM_VOLUME,
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"max_velocity": PUMP_FLOW_RATE
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}
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}
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])
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# 关闭真空电磁阀
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if vacuum_solenoid:
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action_sequence.append({
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"device_id": vacuum_solenoid,
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"action_name": "set_valve_position",
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"action_kwargs": {"command": "CLOSED"}
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})
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# 关闭真空泵
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action_sequence.append({
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"device_id": vacuum_pump,
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"action_name": "set_status",
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"action_kwargs": {"string": "OFF"}
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})
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# ============ 充气阶段 ============
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print(f"EVACUATE_REFILL: 充气阶段开始")
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# 启动气源
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action_sequence.append({
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"device_id": gas_source,
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"action_name": "set_status",
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"action_kwargs": {"string": "ON"}
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})
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# 开启气源电磁阀
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if gas_solenoid:
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action_sequence.append({
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"device_id": gas_solenoid,
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"action_name": "set_valve_position",
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"action_kwargs": {"command": "OPEN"}
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})
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# **关键修复**: 改进充气 pump_protocol 调用
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print(f"EVACUATE_REFILL: 调用充气 pump_protocol: {gas_source} → {vessel}")
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try:
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gas_transfer_actions = generate_pump_protocol_with_rinsing(
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G=G,
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from_vessel=gas_source,
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to_vessel=vessel,
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volume=REFILL_VOLUME,
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amount="",
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time=0.0,
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viscous=False,
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rinsing_solvent="", # **修复**: 明确不使用清洗
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rinsing_volume=0.0,
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rinsing_repeats=0,
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solid=False,
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flowrate=PUMP_FLOW_RATE,
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transfer_flowrate=PUMP_FLOW_RATE
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)
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if gas_transfer_actions:
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action_sequence.extend(gas_transfer_actions)
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print(f"EVACUATE_REFILL: ✅ 成功添加 {len(gas_transfer_actions)} 个充气动作")
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else:
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print(f"EVACUATE_REFILL: ⚠️ 充气 pump_protocol 返回空序列")
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# **修复**: 添加手动充气动作
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action_sequence.extend([
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{
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"device_id": "multiway_valve_2",
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"action_name": "set_valve_position",
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"action_kwargs": {"command": "8"} # 氮气端口
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},
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{
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"device_id": "transfer_pump_2",
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"action_name": "set_position",
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"action_kwargs": {
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"position": REFILL_VOLUME,
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"max_velocity": PUMP_FLOW_RATE
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}
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},
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{
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"device_id": "multiway_valve_2",
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"action_name": "set_valve_position",
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"action_kwargs": {"command": "5"} # 反应器端口
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},
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{
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"device_id": "transfer_pump_2",
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"action_name": "set_position",
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"action_kwargs": {
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"position": 0.0,
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"max_velocity": PUMP_FLOW_RATE
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}
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}
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])
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except Exception as e:
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print(f"EVACUATE_REFILL: ❌ 充气 pump_protocol 失败: {str(e)}")
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import traceback
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print(f"EVACUATE_REFILL: 详细错误:\n{traceback.format_exc()}")
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# **修复**: 使用手动充气动作
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print(f"EVACUATE_REFILL: 使用手动充气方案")
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action_sequence.extend([
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{
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"device_id": "multiway_valve_2",
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"action_name": "set_valve_position",
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"action_kwargs": {"command": "8"} # 连接气源
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},
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{
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"device_id": "transfer_pump_2",
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"action_name": "set_position",
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"action_kwargs": {
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"position": REFILL_VOLUME,
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"max_velocity": PUMP_FLOW_RATE
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}
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},
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{
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"device_id": "multiway_valve_2",
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"action_name": "set_valve_position",
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"action_kwargs": {"command": "5"} # 连接反应器
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},
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{
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"device_id": "transfer_pump_2",
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"action_name": "set_position",
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"action_kwargs": {
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"position": 0.0,
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"max_velocity": PUMP_FLOW_RATE
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}
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}
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])
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# 关闭气源电磁阀
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if gas_solenoid:
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action_sequence.append({
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"device_id": gas_solenoid,
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"action_name": "set_valve_position",
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"action_kwargs": {"command": "CLOSED"}
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})
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# 关闭气源
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action_sequence.append({
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"device_id": gas_source,
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"action_name": "set_status",
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"action_kwargs": {"string": "OFF"}
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})
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# 等待下一次循环
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if cycle < repeats - 1:
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action_sequence.append({
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"action_name": "wait",
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"action_kwargs": {"time": 2.0}
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})
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# 停止搅拌器
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if stirrer_id:
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action_sequence.append({
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"device_id": stirrer_id,
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"action_name": "stop_stir",
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"action_kwargs": {"vessel": vessel}
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})
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print(f"EVACUATE_REFILL: 协议生成完成，共 {len(action_sequence)} 个动作")
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return action_sequence
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# 测试函数
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def test_evacuateandrefill_protocol():
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"""测试抽真空充气协议"""
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print("=== EVACUATE AND REFILL PROTOCOL 测试 ===")
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print("测试完成")
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if __name__ == "__main__":
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test_evacuateandrefill_protocol() |