mirror of
https://github.com/deepmodeling/Uni-Lab-OS
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0ab4027de7
- 统一debug_print为共享import，移除14个本地定义 - 移除重复工具函数（find_connected_stirrer, get_vessel_liquid_volume等） - 精简装饰性日志（emoji分隔线、进度提示），保留关键决策点 - 删除evacuateandrefill_protocol_old.py死代码 - 涉及文件：add, adjustph, clean_vessel, dissolve, dry, evacuateandrefill, evaporate, filter, pump, recrystallize, reset_handling, run_column, stir, wash_solid Co-Authored-By: Claude Opus 4.6 <noreply@anthropic.com>
582 lines
22 KiB
Python
582 lines
22 KiB
Python
from functools import partial
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import networkx as nx
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import logging
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import uuid
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from typing import List, Dict, Any, Optional
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from .utils.vessel_parser import get_vessel, find_connected_stirrer
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from .utils.logger_util import debug_print, action_log
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from .pump_protocol import generate_pump_protocol_with_rinsing, generate_pump_protocol
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# 设置日志
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logger = logging.getLogger(__name__)
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create_action_log = partial(action_log, prefix="[抽真空充气]")
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def find_gas_source(G: nx.DiGraph, gas: str) -> str:
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"""
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根据气体名称查找对应的气源，支持多种匹配模式：
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1. 容器名称匹配
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2. 气体类型匹配（data.gas_type）
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3. 默认气源
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"""
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debug_print(f"正在查找气体 '{gas}' 的气源...")
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# 通过容器名称匹配
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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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f"source_{gas}",
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f"reagent_bottle_{gas}",
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f"bottle_{gas}"
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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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debug_print(f"通过名称找到气源: {pattern}")
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return pattern
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# 通过气体类型匹配 (data.gas_type)
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for node_id in G.nodes():
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node_data = G.nodes[node_id]
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node_class = node_data.get('class', '') or ''
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if ('gas_source' in node_class or
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'gas' in node_id.lower() or
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node_id.startswith('flask_')):
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data = node_data.get('data', {})
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gas_type = data.get('gas_type', '')
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if gas_type.lower() == gas.lower():
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debug_print(f"通过气体类型找到气源: {node_id} (气体类型: {gas_type})")
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return node_id
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config = node_data.get('config', {})
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config_gas_type = config.get('gas_type', '')
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if config_gas_type.lower() == gas.lower():
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debug_print(f"通过配置气体类型找到气源: {node_id} (配置气体类型: {config_gas_type})")
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return node_id
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# 查找所有可用的气源设备
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available_gas_sources = []
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for node_id in G.nodes():
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node_data = G.nodes[node_id]
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node_class = node_data.get('class', '') or ''
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if ('gas_source' in node_class or
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'gas' in node_id.lower() or
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(node_id.startswith('flask_') and any(g in node_id.lower() for g in ['air', 'nitrogen', 'argon']))):
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data = node_data.get('data', {})
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gas_type = data.get('gas_type', '未知')
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available_gas_sources.append(f"{node_id} (气体类型: {gas_type})")
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# 如果找不到特定气体，使用默认的第一个气源
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default_gas_sources = [
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node for node in G.nodes()
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if ((G.nodes[node].get('class') or '').find('virtual_gas_source') != -1
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or 'gas_source' in node)
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]
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if default_gas_sources:
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default_source = default_gas_sources[0]
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debug_print(f"未找到特定气体 '{gas}'，使用默认气源: {default_source}")
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return default_source
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raise ValueError(f"无法找到气体 '{gas}' 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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for node in G.nodes():
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node_data = G.nodes[node]
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node_class = node_data.get('class', '') or ''
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if ('virtual_vacuum_pump' in node_class or
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'vacuum_pump' in node.lower() or
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'vacuum' in node_class.lower()):
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vacuum_pumps.append(node)
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if not vacuum_pumps:
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raise ValueError("系统中未找到真空泵")
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debug_print(f"使用真空泵: {vacuum_pumps[0]}")
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return vacuum_pumps[0]
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def find_vacuum_solenoid_valve(G: nx.DiGraph, vacuum_pump: str) -> Optional[str]:
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"""查找真空泵相关的电磁阀"""
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solenoid_valves = []
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for node in G.nodes():
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node_data = G.nodes[node]
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node_class = node_data.get('class', '') or ''
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if ('solenoid' in node_class.lower() or 'solenoid_valve' in node.lower()):
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solenoid_valves.append(node)
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# 检查连接关系
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for solenoid in solenoid_valves:
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if G.has_edge(solenoid, vacuum_pump) or G.has_edge(vacuum_pump, solenoid):
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debug_print(f"找到连接的真空电磁阀: {solenoid}")
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return solenoid
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# 通过命名规则查找
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for solenoid in solenoid_valves:
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if 'vacuum' in solenoid.lower() or solenoid == 'solenoid_valve_1':
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debug_print(f"通过命名找到真空电磁阀: {solenoid}")
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return solenoid
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debug_print("未找到真空电磁阀")
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return None
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def find_gas_solenoid_valve(G: nx.DiGraph, gas_source: str) -> Optional[str]:
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"""查找气源相关的电磁阀"""
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solenoid_valves = []
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for node in G.nodes():
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node_data = G.nodes[node]
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node_class = node_data.get('class', '') or ''
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if ('solenoid' in node_class.lower() or 'solenoid_valve' in node.lower()):
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solenoid_valves.append(node)
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# 检查连接关系
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for solenoid in solenoid_valves:
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if G.has_edge(gas_source, solenoid) or G.has_edge(solenoid, gas_source):
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debug_print(f"找到连接的气源电磁阀: {solenoid}")
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return solenoid
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# 通过命名规则查找
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for solenoid in solenoid_valves:
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if 'gas' in solenoid.lower() or solenoid == 'solenoid_valve_2':
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debug_print(f"通过命名找到气源电磁阀: {solenoid}")
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return solenoid
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debug_print("未找到气源电磁阀")
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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: dict,
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gas: str,
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**kwargs
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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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Args:
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G: 设备图
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vessel: 目标容器字典（必需）
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gas: 气体名称（必需）
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**kwargs: 其他参数（兼容性）
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Returns:
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List[Dict[str, Any]]: 动作序列
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"""
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vessel_id, vessel_data = get_vessel(vessel)
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# 硬编码重复次数为 3
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repeats = 3
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protocol_id = str(uuid.uuid4())
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debug_print(f"开始生成抽真空充气协议: vessel={vessel_id}, gas={gas}, repeats={repeats}")
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action_sequence = []
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# === 参数验证和修正 ===
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action_sequence.append(create_action_log(f"开始抽真空充气操作 - 容器: {vessel_id}", "🎬"))
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action_sequence.append(create_action_log(f"目标气体: {gas}", "💨"))
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action_sequence.append(create_action_log(f"循环次数: {repeats}", "🔄"))
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if not vessel_id:
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raise ValueError("容器参数不能为空")
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if not gas:
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raise ValueError("气体参数不能为空")
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if vessel_id not in G.nodes():
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raise ValueError(f"容器 '{vessel_id}' 在系统中不存在")
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action_sequence.append(create_action_log("参数验证通过", "✅"))
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# 标准化气体名称
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gas_aliases = {
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'n2': 'nitrogen',
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'ar': 'argon',
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'air': 'air',
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'o2': 'oxygen',
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'co2': 'carbon_dioxide',
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'h2': 'hydrogen',
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'氮气': 'nitrogen',
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'氩气': 'argon',
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'空气': 'air',
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'氧气': 'oxygen',
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'二氧化碳': 'carbon_dioxide',
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'氢气': 'hydrogen'
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}
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original_gas = gas
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gas_lower = gas.lower().strip()
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if gas_lower in gas_aliases:
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gas = gas_aliases[gas_lower]
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debug_print(f"标准化气体名称: {original_gas} -> {gas}")
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action_sequence.append(create_action_log(f"气体名称标准化: {original_gas} -> {gas}", "🔄"))
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debug_print(f"最终参数: 容器={vessel_id}, 气体={gas}, 重复={repeats}")
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# === 查找设备 ===
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action_sequence.append(create_action_log("正在查找相关设备...", "🔍"))
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try:
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vacuum_pump = find_vacuum_pump(G)
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action_sequence.append(create_action_log(f"找到真空泵: {vacuum_pump}", "🌪️"))
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gas_source = find_gas_source(G, gas)
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action_sequence.append(create_action_log(f"找到气源: {gas_source}", "💨"))
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vacuum_solenoid = find_vacuum_solenoid_valve(G, vacuum_pump)
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if vacuum_solenoid:
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action_sequence.append(create_action_log(f"找到真空电磁阀: {vacuum_solenoid}", "🚪"))
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else:
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action_sequence.append(create_action_log("未找到真空电磁阀", "⚠️"))
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gas_solenoid = find_gas_solenoid_valve(G, gas_source)
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if gas_solenoid:
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action_sequence.append(create_action_log(f"找到气源电磁阀: {gas_solenoid}", "🚪"))
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else:
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action_sequence.append(create_action_log("未找到气源电磁阀", "⚠️"))
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stirrer_id = find_connected_stirrer(G, vessel_id)
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if stirrer_id:
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action_sequence.append(create_action_log(f"找到搅拌器: {stirrer_id}", "🌪️"))
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else:
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action_sequence.append(create_action_log("未找到搅拌器", "⚠️"))
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debug_print(f"设备配置: 真空泵={vacuum_pump}, 气源={gas_source}, 搅拌器={stirrer_id}")
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except Exception as e:
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debug_print(f"设备查找失败: {str(e)}")
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action_sequence.append(create_action_log(f"设备查找失败: {str(e)}", "❌"))
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raise ValueError(f"设备查找失败: {str(e)}")
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# === 参数设置 ===
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action_sequence.append(create_action_log("设置操作参数...", "⚙️"))
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# 根据气体类型调整参数
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if gas.lower() in ['nitrogen', 'argon']:
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VACUUM_VOLUME = 25.0
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REFILL_VOLUME = 25.0
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PUMP_FLOW_RATE = 2.0
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VACUUM_TIME = 30.0
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REFILL_TIME = 20.0
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action_sequence.append(create_action_log("检测到惰性气体，使用标准参数", "💨"))
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elif gas.lower() in ['air', 'oxygen']:
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VACUUM_VOLUME = 20.0
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REFILL_VOLUME = 20.0
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PUMP_FLOW_RATE = 1.5
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VACUUM_TIME = 45.0
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REFILL_TIME = 25.0
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action_sequence.append(create_action_log("检测到活性气体，使用保守参数", "🔥"))
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else:
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VACUUM_VOLUME = 15.0
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REFILL_VOLUME = 15.0
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PUMP_FLOW_RATE = 1.0
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VACUUM_TIME = 60.0
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REFILL_TIME = 30.0
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action_sequence.append(create_action_log("未知气体类型，使用安全参数", "❓"))
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STIR_SPEED = 200.0
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action_sequence.append(create_action_log(f"真空体积: {VACUUM_VOLUME}mL", "📏"))
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action_sequence.append(create_action_log(f"充气体积: {REFILL_VOLUME}mL", "📏"))
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action_sequence.append(create_action_log(f"泵流速: {PUMP_FLOW_RATE}mL/s", "⚡"))
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# === 路径验证 ===
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action_sequence.append(create_action_log("验证传输路径...", "🛤️"))
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try:
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if nx.has_path(G, vessel_id, vacuum_pump):
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vacuum_path = nx.shortest_path(G, source=vessel_id, target=vacuum_pump)
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action_sequence.append(create_action_log(f"真空路径: {' -> '.join(vacuum_path)}", "🛤️"))
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else:
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action_sequence.append(create_action_log("真空路径检查: 路径不存在", "⚠️"))
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if nx.has_path(G, gas_source, vessel_id):
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gas_path = nx.shortest_path(G, source=gas_source, target=vessel_id)
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action_sequence.append(create_action_log(f"气体路径: {' -> '.join(gas_path)}", "🛤️"))
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else:
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action_sequence.append(create_action_log("气体路径检查: 路径不存在", "⚠️"))
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except Exception as e:
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action_sequence.append(create_action_log(f"路径验证失败: {str(e)}", "⚠️"))
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# === 启动搅拌器 ===
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if stirrer_id:
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action_sequence.append(create_action_log(f"启动搅拌器 {stirrer_id} (速度: {STIR_SPEED}rpm)", "🌪️"))
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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": {"id": vessel_id},
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"stir_speed": STIR_SPEED,
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"purpose": "抽真空充气前预搅拌"
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}
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})
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action_sequence.append(create_action_log("等待搅拌稳定...", "⏳"))
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action_sequence.append({
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"action_name": "wait",
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"action_kwargs": {"time": 5.0}
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})
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else:
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action_sequence.append(create_action_log("跳过搅拌器启动", "⏭️"))
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# === 执行循环 ===
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action_sequence.append(create_action_log(f"开始 {repeats} 次抽真空-充气循环", "🔄"))
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for cycle in range(repeats):
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action_sequence.append(create_action_log(f"第 {cycle+1}/{repeats} 轮循环开始", "🚀"))
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# ============ 抽真空阶段 ============
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action_sequence.append(create_action_log("开始抽真空阶段", "🌪️"))
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# 启动真空泵
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action_sequence.append(create_action_log(f"启动真空泵: {vacuum_pump}", "🔛"))
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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(create_action_log(f"打开真空电磁阀: {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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|
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# 抽真空操作
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action_sequence.append(create_action_log(f"开始抽真空: {vessel_id} -> {vacuum_pump}", "🌪️"))
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||
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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_id,
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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="",
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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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action_sequence.append(create_action_log(f"抽真空协议完成 ({len(vacuum_transfer_actions)} 个操作)", "✅"))
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else:
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action_sequence.append(create_action_log("抽真空协议为空，使用手动等待", "⚠️"))
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action_sequence.append({
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"action_name": "wait",
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"action_kwargs": {"time": VACUUM_TIME}
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})
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except Exception as e:
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debug_print(f"抽真空失败: {str(e)}")
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action_sequence.append(create_action_log(f"抽真空失败: {str(e)}", "❌"))
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action_sequence.append({
|
||
"action_name": "wait",
|
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"action_kwargs": {"time": VACUUM_TIME}
|
||
})
|
||
|
||
# 抽真空后等待
|
||
wait_minutes = VACUUM_TIME / 60
|
||
action_sequence.append(create_action_log(f"抽真空后等待 ({wait_minutes:.1f} 分钟)", "⏳"))
|
||
action_sequence.append({
|
||
"action_name": "wait",
|
||
"action_kwargs": {"time": VACUUM_TIME}
|
||
})
|
||
|
||
# 关闭真空电磁阀
|
||
if vacuum_solenoid:
|
||
action_sequence.append(create_action_log(f"关闭真空电磁阀: {vacuum_solenoid}", "🚪"))
|
||
action_sequence.append({
|
||
"device_id": vacuum_solenoid,
|
||
"action_name": "set_valve_position",
|
||
"action_kwargs": {"command": "CLOSED"}
|
||
})
|
||
|
||
# 关闭真空泵
|
||
action_sequence.append(create_action_log(f"停止真空泵: {vacuum_pump}", "🔴"))
|
||
action_sequence.append({
|
||
"device_id": vacuum_pump,
|
||
"action_name": "set_status",
|
||
"action_kwargs": {"string": "OFF"}
|
||
})
|
||
|
||
# 阶段间等待
|
||
action_sequence.append(create_action_log("抽真空阶段完成，短暂等待", "⏳"))
|
||
action_sequence.append({
|
||
"action_name": "wait",
|
||
"action_kwargs": {"time": 5.0}
|
||
})
|
||
|
||
# ============ 充气阶段 ============
|
||
action_sequence.append(create_action_log("开始气体充气阶段", "💨"))
|
||
|
||
# 启动气源
|
||
action_sequence.append(create_action_log(f"启动气源: {gas_source}", "🔛"))
|
||
action_sequence.append({
|
||
"device_id": gas_source,
|
||
"action_name": "set_status",
|
||
"action_kwargs": {"string": "ON"}
|
||
})
|
||
|
||
# 开启气源电磁阀
|
||
if gas_solenoid:
|
||
action_sequence.append(create_action_log(f"打开气源电磁阀: {gas_solenoid}", "🚪"))
|
||
action_sequence.append({
|
||
"device_id": gas_solenoid,
|
||
"action_name": "set_valve_position",
|
||
"action_kwargs": {"command": "OPEN"}
|
||
})
|
||
|
||
# 充气操作
|
||
action_sequence.append(create_action_log(f"开始气体充气: {gas_source} -> {vessel_id}", "💨"))
|
||
|
||
try:
|
||
gas_transfer_actions = generate_pump_protocol_with_rinsing(
|
||
G=G,
|
||
from_vessel=gas_source,
|
||
to_vessel=vessel_id,
|
||
volume=REFILL_VOLUME,
|
||
amount="",
|
||
time=0.0,
|
||
viscous=False,
|
||
rinsing_solvent="",
|
||
rinsing_volume=0.0,
|
||
rinsing_repeats=0,
|
||
solid=False,
|
||
flowrate=PUMP_FLOW_RATE,
|
||
transfer_flowrate=PUMP_FLOW_RATE
|
||
)
|
||
|
||
if gas_transfer_actions:
|
||
action_sequence.extend(gas_transfer_actions)
|
||
action_sequence.append(create_action_log(f"气体充气协议完成 ({len(gas_transfer_actions)} 个操作)", "✅"))
|
||
else:
|
||
action_sequence.append(create_action_log("充气协议为空，使用手动等待", "⚠️"))
|
||
action_sequence.append({
|
||
"action_name": "wait",
|
||
"action_kwargs": {"time": REFILL_TIME}
|
||
})
|
||
|
||
except Exception as e:
|
||
debug_print(f"气体充气失败: {str(e)}")
|
||
action_sequence.append(create_action_log(f"气体充气失败: {str(e)}", "❌"))
|
||
action_sequence.append({
|
||
"action_name": "wait",
|
||
"action_kwargs": {"time": REFILL_TIME}
|
||
})
|
||
|
||
# 充气后等待
|
||
refill_wait_minutes = REFILL_TIME / 60
|
||
action_sequence.append(create_action_log(f"充气后等待 ({refill_wait_minutes:.1f} 分钟)", "⏳"))
|
||
action_sequence.append({
|
||
"action_name": "wait",
|
||
"action_kwargs": {"time": REFILL_TIME}
|
||
})
|
||
|
||
# 关闭气源电磁阀
|
||
if gas_solenoid:
|
||
action_sequence.append(create_action_log(f"关闭气源电磁阀: {gas_solenoid}", "🚪"))
|
||
action_sequence.append({
|
||
"device_id": gas_solenoid,
|
||
"action_name": "set_valve_position",
|
||
"action_kwargs": {"command": "CLOSED"}
|
||
})
|
||
|
||
# 关闭气源
|
||
action_sequence.append(create_action_log(f"停止气源: {gas_source}", "🔴"))
|
||
action_sequence.append({
|
||
"device_id": gas_source,
|
||
"action_name": "set_status",
|
||
"action_kwargs": {"string": "OFF"}
|
||
})
|
||
|
||
# 循环间等待
|
||
if cycle < repeats - 1:
|
||
action_sequence.append(create_action_log("等待下一个循环...", "⏳"))
|
||
action_sequence.append({
|
||
"action_name": "wait",
|
||
"action_kwargs": {"time": 10.0}
|
||
})
|
||
else:
|
||
action_sequence.append(create_action_log(f"第 {cycle+1}/{repeats} 轮循环完成", "✅"))
|
||
|
||
# === 停止搅拌器 ===
|
||
if stirrer_id:
|
||
action_sequence.append(create_action_log(f"停止搅拌器: {stirrer_id}", "🛑"))
|
||
action_sequence.append({
|
||
"device_id": stirrer_id,
|
||
"action_name": "stop_stir",
|
||
"action_kwargs": {"vessel": {"id": vessel_id},}
|
||
})
|
||
else:
|
||
action_sequence.append(create_action_log("跳过搅拌器停止", "⏭️"))
|
||
|
||
# === 最终等待 ===
|
||
action_sequence.append(create_action_log("最终稳定等待...", "⏳"))
|
||
action_sequence.append({
|
||
"action_name": "wait",
|
||
"action_kwargs": {"time": 10.0}
|
||
})
|
||
|
||
# === 总结 ===
|
||
total_time = (VACUUM_TIME + REFILL_TIME + 25) * repeats + 20
|
||
|
||
debug_print(f"抽真空充气协议生成完成: {len(action_sequence)} 个动作, 预计 {total_time:.0f}s")
|
||
|
||
summary_msg = f"抽真空充气协议完成: {vessel_id} (使用 {gas}，{repeats} 次循环)"
|
||
action_sequence.append(create_action_log(summary_msg, "🎉"))
|
||
|
||
return action_sequence
|
||
|
||
# === 便捷函数 ===
|
||
|
||
def generate_nitrogen_purge_protocol(G: nx.DiGraph, vessel: dict, **kwargs) -> List[Dict[str, Any]]:
|
||
"""生成氮气置换协议"""
|
||
return generate_evacuateandrefill_protocol(G, vessel, "nitrogen", **kwargs)
|
||
|
||
def generate_argon_purge_protocol(G: nx.DiGraph, vessel: dict, **kwargs) -> List[Dict[str, Any]]:
|
||
"""生成氩气置换协议"""
|
||
return generate_evacuateandrefill_protocol(G, vessel, "argon", **kwargs)
|
||
|
||
def generate_air_purge_protocol(G: nx.DiGraph, vessel: dict, **kwargs) -> List[Dict[str, Any]]:
|
||
"""生成空气置换协议"""
|
||
return generate_evacuateandrefill_protocol(G, vessel, "air", **kwargs)
|
||
|
||
def generate_inert_atmosphere_protocol(G: nx.DiGraph, vessel: dict, gas: str = "nitrogen", **kwargs) -> List[Dict[str, Any]]:
|
||
"""生成惰性气氛协议"""
|
||
return generate_evacuateandrefill_protocol(G, vessel, gas, **kwargs)
|
||
|
||
# 测试函数
|
||
def test_evacuateandrefill_protocol():
|
||
"""测试抽真空充气协议"""
|
||
debug_print("=== 抽真空充气协议测试 ===")
|
||
debug_print("测试完成")
|
||
|
||
if __name__ == "__main__":
|
||
test_evacuateandrefill_protocol()
|