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a66369e2c3
* delete deprecated mock devices * rename categories * combine chromatographic devices * rename rviz simulation nodes * organic virtual devices * parse vessel_id * run registry completion before merge --------- Co-authored-by: Xuwznln <18435084+Xuwznln@users.noreply.github.com>
542 lines
22 KiB
Python
542 lines
22 KiB
Python
from typing import List, Dict, Any
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import networkx as nx
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from .utils.vessel_parser import get_vessel
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from .pump_protocol import generate_pump_protocol
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def find_solvent_vessel(G: nx.DiGraph, solvent: str) -> str:
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"""
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查找溶剂容器，支持多种匹配模式：
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1. 容器名称匹配（如 flask_water, reagent_bottle_1-DMF）
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2. 容器内液体类型匹配（如 liquid_type: "DMF", "ethanol"）
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"""
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print(f"CLEAN_VESSEL: 正在查找溶剂 '{solvent}' 的容器...")
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# 第一步：通过容器名称匹配
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possible_names = [
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f"flask_{solvent}", # flask_water, flask_ethanol
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f"bottle_{solvent}", # bottle_water, bottle_ethanol
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f"vessel_{solvent}", # vessel_water, vessel_ethanol
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f"{solvent}_flask", # water_flask, ethanol_flask
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f"{solvent}_bottle", # water_bottle, ethanol_bottle
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f"{solvent}", # 直接用溶剂名
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f"solvent_{solvent}", # solvent_water, solvent_ethanol
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f"reagent_bottle_{solvent}", # reagent_bottle_DMF
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]
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# 尝试名称匹配
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for vessel_name in possible_names:
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if vessel_name in G.nodes():
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print(f"CLEAN_VESSEL: 通过名称匹配找到容器: {vessel_name}")
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return vessel_name
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# 第二步：通过模糊名称匹配（名称中包含溶剂名）
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for node_id in G.nodes():
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if G.nodes[node_id].get('type') == 'container':
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# 检查节点ID或名称中是否包含溶剂名
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node_name = G.nodes[node_id].get('name', '').lower()
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if (solvent.lower() in node_id.lower() or
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solvent.lower() in node_name):
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print(f"CLEAN_VESSEL: 通过模糊名称匹配找到容器: {node_id} (名称: {node_name})")
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return node_id
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# 第三步：通过液体类型匹配
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for node_id in G.nodes():
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if G.nodes[node_id].get('type') == 'container':
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vessel_data = G.nodes[node_id].get('data', {})
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liquids = vessel_data.get('liquid', [])
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for liquid in liquids:
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if isinstance(liquid, dict):
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# 支持两种格式的液体类型字段
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liquid_type = liquid.get('liquid_type') or liquid.get('name', '')
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reagent_name = vessel_data.get('reagent_name', '')
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config_reagent = G.nodes[node_id].get('config', {}).get('reagent', '')
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# 检查多个可能的字段
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if (liquid_type.lower() == solvent.lower() or
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reagent_name.lower() == solvent.lower() or
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config_reagent.lower() == solvent.lower()):
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print(f"CLEAN_VESSEL: 通过液体类型匹配找到容器: {node_id}")
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print(f" - liquid_type: {liquid_type}")
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print(f" - reagent_name: {reagent_name}")
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print(f" - config.reagent: {config_reagent}")
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return node_id
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# 第四步：列出所有可用的容器信息帮助调试
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available_containers = []
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for node_id in G.nodes():
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if G.nodes[node_id].get('type') == 'container':
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vessel_data = G.nodes[node_id].get('data', {})
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config_data = G.nodes[node_id].get('config', {})
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liquids = vessel_data.get('liquid', [])
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container_info = {
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'id': node_id,
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'name': G.nodes[node_id].get('name', ''),
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'liquid_types': [],
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'reagent_name': vessel_data.get('reagent_name', ''),
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'config_reagent': config_data.get('reagent', '')
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}
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for liquid in liquids:
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if isinstance(liquid, dict):
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liquid_type = liquid.get('liquid_type') or liquid.get('name', '')
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if liquid_type:
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container_info['liquid_types'].append(liquid_type)
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available_containers.append(container_info)
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print(f"CLEAN_VESSEL: 可用容器列表:")
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for container in available_containers:
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print(f" - {container['id']}: {container['name']}")
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print(f" 液体类型: {container['liquid_types']}")
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print(f" 试剂名称: {container['reagent_name']}")
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print(f" 配置试剂: {container['config_reagent']}")
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raise ValueError(f"未找到溶剂 '{solvent}' 的容器。尝试了名称匹配: {possible_names}")
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def find_solvent_vessel_by_any_match(G: nx.DiGraph, solvent: str) -> str:
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"""
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增强版溶剂容器查找，支持各种匹配方式的别名函数
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"""
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return find_solvent_vessel(G, solvent)
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def find_waste_vessel(G: nx.DiGraph) -> str:
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"""
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查找废液容器
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"""
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possible_waste_names = [
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"waste_workup",
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"flask_waste",
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"bottle_waste",
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"waste",
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"waste_vessel",
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"waste_container"
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]
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for waste_name in possible_waste_names:
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if waste_name in G.nodes():
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return waste_name
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raise ValueError(f"未找到废液容器。尝试了以下名称: {possible_waste_names}")
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def find_connected_heatchill(G: nx.DiGraph, vessel: str) -> str:
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"""
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查找与指定容器相连的加热冷却设备
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"""
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# 查找所有加热冷却设备节点
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heatchill_nodes = [node for node in G.nodes()
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if (G.nodes[node].get('class') or '') == 'virtual_heatchill']
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# 检查哪个加热设备与目标容器相连（机械连接）
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for heatchill in heatchill_nodes:
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if G.has_edge(heatchill, vessel) or G.has_edge(vessel, heatchill):
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return heatchill
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# 如果没有直接连接，返回第一个可用的加热设备
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if heatchill_nodes:
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return heatchill_nodes[0]
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return None # 没有加热设备也可以工作，只是不能加热
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def generate_clean_vessel_protocol(
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G: nx.DiGraph,
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vessel: dict, # 🔧 修改：从字符串改为字典类型
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solvent: str,
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volume: float,
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temp: float,
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repeats: int = 1
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) -> List[Dict[str, Any]]:
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"""
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生成容器清洗操作的协议序列，复用 pump_protocol 的成熟算法
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清洗流程：
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1. 查找溶剂容器和废液容器
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2. 如果需要加热，启动加热设备
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3. 重复以下操作 repeats 次：
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a. 使用 pump_protocol 将溶剂从溶剂容器转移到目标容器
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b. (可选) 等待清洗作用时间
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c. 使用 pump_protocol 将清洗液从目标容器转移到废液容器
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4. 如果加热了，停止加热
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Args:
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G: 有向图，节点为设备和容器，边为流体管道
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vessel: 要清洗的容器字典（包含id字段）
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solvent: 用于清洗的溶剂名称
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volume: 每次清洗使用的溶剂体积
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temp: 清洗时的温度
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repeats: 清洗操作的重复次数，默认为 1
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Returns:
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List[Dict[str, Any]]: 容器清洗操作的动作序列
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Raises:
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ValueError: 当找不到必要的容器或设备时抛出异常
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Examples:
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clean_protocol = generate_clean_vessel_protocol(G, {"id": "main_reactor"}, "water", 100.0, 60.0, 2)
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"""
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# 🔧 核心修改：从字典中提取容器ID
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vessel_id, vessel_data = get_vessel(vessel)
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action_sequence = []
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print(f"CLEAN_VESSEL: 开始生成容器清洗协议")
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print(f" - 目标容器: {vessel} (ID: {vessel_id})")
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print(f" - 清洗溶剂: {solvent}")
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print(f" - 清洗体积: {volume} mL")
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print(f" - 清洗温度: {temp}°C")
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print(f" - 重复次数: {repeats}")
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# 验证目标容器存在
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if vessel_id not in G.nodes():
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raise ValueError(f"目标容器 '{vessel_id}' 不存在于系统中")
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# 查找溶剂容器
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try:
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solvent_vessel = find_solvent_vessel(G, solvent)
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print(f"CLEAN_VESSEL: 找到溶剂容器: {solvent_vessel}")
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except ValueError as e:
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raise ValueError(f"无法找到溶剂容器: {str(e)}")
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# 查找废液容器
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try:
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waste_vessel = find_waste_vessel(G)
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print(f"CLEAN_VESSEL: 找到废液容器: {waste_vessel}")
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except ValueError as e:
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raise ValueError(f"无法找到废液容器: {str(e)}")
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# 查找加热设备（可选）
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heatchill_id = find_connected_heatchill(G, vessel_id) # 🔧 使用 vessel_id
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if heatchill_id:
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print(f"CLEAN_VESSEL: 找到加热设备: {heatchill_id}")
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else:
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print(f"CLEAN_VESSEL: 未找到加热设备，将在室温下清洗")
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# 🔧 新增：记录清洗前的容器状态
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print(f"CLEAN_VESSEL: 记录清洗前容器状态...")
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original_liquid_volume = 0.0
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if "data" in vessel and "liquid_volume" in vessel["data"]:
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current_volume = vessel["data"]["liquid_volume"]
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if isinstance(current_volume, list) and len(current_volume) > 0:
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original_liquid_volume = current_volume[0]
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elif isinstance(current_volume, (int, float)):
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original_liquid_volume = current_volume
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print(f"CLEAN_VESSEL: 清洗前液体体积: {original_liquid_volume:.2f}mL")
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# 第一步：如果需要加热且有加热设备，启动加热
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if temp > 25.0 and heatchill_id:
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print(f"CLEAN_VESSEL: 启动加热至 {temp}°C")
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heatchill_start_action = {
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"device_id": heatchill_id,
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"action_name": "heat_chill_start",
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"action_kwargs": {
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"vessel": vessel_id, # 🔧 使用 vessel_id
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"temp": temp,
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"purpose": f"cleaning with {solvent}"
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}
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}
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action_sequence.append(heatchill_start_action)
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# 等待温度稳定
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wait_action = {
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"action_name": "wait",
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"action_kwargs": {"time": 30} # 等待30秒让温度稳定
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}
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action_sequence.append(wait_action)
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# 第二步：重复清洗操作
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for repeat in range(repeats):
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print(f"CLEAN_VESSEL: 执行第 {repeat + 1} 次清洗")
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# 2a. 使用 pump_protocol 将溶剂转移到目标容器
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print(f"CLEAN_VESSEL: 将 {volume} mL {solvent} 转移到 {vessel_id}")
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try:
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# 调用成熟的 pump_protocol 算法
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add_solvent_actions = generate_pump_protocol(
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G=G,
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from_vessel=solvent_vessel,
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to_vessel=vessel_id, # 🔧 使用 vessel_id
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volume=volume,
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flowrate=2.5, # 适中的流速，避免飞溅
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transfer_flowrate=2.5
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)
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action_sequence.extend(add_solvent_actions)
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# 🔧 新增：更新容器体积（添加清洗溶剂）
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print(f"CLEAN_VESSEL: 更新容器体积 - 添加清洗溶剂 {volume:.2f}mL")
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if "data" not in vessel:
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vessel["data"] = {}
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if "liquid_volume" in vessel["data"]:
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current_volume = vessel["data"]["liquid_volume"]
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if isinstance(current_volume, list):
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if len(current_volume) > 0:
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vessel["data"]["liquid_volume"][0] += volume
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print(f"CLEAN_VESSEL: 添加溶剂后体积: {vessel['data']['liquid_volume'][0]:.2f}mL (+{volume:.2f}mL)")
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else:
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vessel["data"]["liquid_volume"] = [volume]
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print(f"CLEAN_VESSEL: 初始化清洗体积: {volume:.2f}mL")
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elif isinstance(current_volume, (int, float)):
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vessel["data"]["liquid_volume"] += volume
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print(f"CLEAN_VESSEL: 添加溶剂后体积: {vessel['data']['liquid_volume']:.2f}mL (+{volume:.2f}mL)")
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else:
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vessel["data"]["liquid_volume"] = volume
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print(f"CLEAN_VESSEL: 重置体积为: {volume:.2f}mL")
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else:
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vessel["data"]["liquid_volume"] = volume
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print(f"CLEAN_VESSEL: 创建新体积记录: {volume:.2f}mL")
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# 🔧 同时更新图中的容器数据
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if vessel_id in G.nodes():
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if 'data' not in G.nodes[vessel_id]:
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G.nodes[vessel_id]['data'] = {}
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vessel_node_data = G.nodes[vessel_id]['data']
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current_node_volume = vessel_node_data.get('liquid_volume', 0.0)
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if isinstance(current_node_volume, list):
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if len(current_node_volume) > 0:
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G.nodes[vessel_id]['data']['liquid_volume'][0] += volume
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else:
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G.nodes[vessel_id]['data']['liquid_volume'] = [volume]
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else:
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G.nodes[vessel_id]['data']['liquid_volume'] = current_node_volume + volume
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print(f"CLEAN_VESSEL: 图节点体积数据已更新")
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except Exception as e:
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raise ValueError(f"无法将溶剂转移到容器: {str(e)}")
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# 2b. 等待清洗作用时间（让溶剂充分清洗容器）
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cleaning_wait_time = 60 if temp > 50.0 else 30 # 高温下等待更久
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print(f"CLEAN_VESSEL: 等待清洗作用 {cleaning_wait_time} 秒")
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wait_action = {
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"action_name": "wait",
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"action_kwargs": {"time": cleaning_wait_time}
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}
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action_sequence.append(wait_action)
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# 2c. 使用 pump_protocol 将清洗液转移到废液容器
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print(f"CLEAN_VESSEL: 将清洗液从 {vessel_id} 转移到废液容器")
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try:
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# 调用成熟的 pump_protocol 算法
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remove_waste_actions = generate_pump_protocol(
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G=G,
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from_vessel=vessel_id, # 🔧 使用 vessel_id
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to_vessel=waste_vessel,
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volume=volume,
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flowrate=2.5, # 适中的流速
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transfer_flowrate=2.5
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)
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action_sequence.extend(remove_waste_actions)
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# 🔧 新增：更新容器体积（移除清洗液）
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print(f"CLEAN_VESSEL: 更新容器体积 - 移除清洗液 {volume:.2f}mL")
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if "data" in vessel and "liquid_volume" in vessel["data"]:
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current_volume = vessel["data"]["liquid_volume"]
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if isinstance(current_volume, list):
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if len(current_volume) > 0:
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vessel["data"]["liquid_volume"][0] = max(0.0, vessel["data"]["liquid_volume"][0] - volume)
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print(f"CLEAN_VESSEL: 移除清洗液后体积: {vessel['data']['liquid_volume'][0]:.2f}mL (-{volume:.2f}mL)")
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else:
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vessel["data"]["liquid_volume"] = [0.0]
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print(f"CLEAN_VESSEL: 重置体积为0mL")
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elif isinstance(current_volume, (int, float)):
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vessel["data"]["liquid_volume"] = max(0.0, current_volume - volume)
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print(f"CLEAN_VESSEL: 移除清洗液后体积: {vessel['data']['liquid_volume']:.2f}mL (-{volume:.2f}mL)")
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else:
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vessel["data"]["liquid_volume"] = 0.0
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print(f"CLEAN_VESSEL: 重置体积为0mL")
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# 🔧 同时更新图中的容器数据
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if vessel_id in G.nodes():
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vessel_node_data = G.nodes[vessel_id].get('data', {})
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current_node_volume = vessel_node_data.get('liquid_volume', 0.0)
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if isinstance(current_node_volume, list):
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if len(current_node_volume) > 0:
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G.nodes[vessel_id]['data']['liquid_volume'][0] = max(0.0, current_node_volume[0] - volume)
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else:
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G.nodes[vessel_id]['data']['liquid_volume'] = [0.0]
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else:
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G.nodes[vessel_id]['data']['liquid_volume'] = max(0.0, current_node_volume - volume)
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print(f"CLEAN_VESSEL: 图节点体积数据已更新")
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except Exception as e:
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raise ValueError(f"无法将清洗液转移到废液容器: {str(e)}")
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# 2d. 清洗循环间的短暂等待
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if repeat < repeats - 1: # 不是最后一次清洗
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print(f"CLEAN_VESSEL: 清洗循环间等待")
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wait_action = {
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"action_name": "wait",
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"action_kwargs": {"time": 10}
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}
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action_sequence.append(wait_action)
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# 第三步：如果加热了，停止加热
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||
if temp > 25.0 and heatchill_id:
|
||
print(f"CLEAN_VESSEL: 停止加热")
|
||
heatchill_stop_action = {
|
||
"device_id": heatchill_id,
|
||
"action_name": "heat_chill_stop",
|
||
"action_kwargs": {
|
||
"vessel": vessel_id # 🔧 使用 vessel_id
|
||
}
|
||
}
|
||
action_sequence.append(heatchill_stop_action)
|
||
|
||
# 🔧 新增：清洗完成后的状态报告
|
||
final_liquid_volume = 0.0
|
||
if "data" in vessel and "liquid_volume" in vessel["data"]:
|
||
current_volume = vessel["data"]["liquid_volume"]
|
||
if isinstance(current_volume, list) and len(current_volume) > 0:
|
||
final_liquid_volume = current_volume[0]
|
||
elif isinstance(current_volume, (int, float)):
|
||
final_liquid_volume = current_volume
|
||
|
||
print(f"CLEAN_VESSEL: 清洗完成")
|
||
print(f" - 清洗前体积: {original_liquid_volume:.2f}mL")
|
||
print(f" - 清洗后体积: {final_liquid_volume:.2f}mL")
|
||
print(f" - 生成了 {len(action_sequence)} 个动作")
|
||
|
||
return action_sequence
|
||
|
||
|
||
# 便捷函数：常用清洗方案
|
||
def generate_quick_clean_protocol(
|
||
G: nx.DiGraph,
|
||
vessel: dict, # 🔧 修改：从字符串改为字典类型
|
||
solvent: str = "water",
|
||
volume: float = 100.0
|
||
) -> List[Dict[str, Any]]:
|
||
"""快速清洗：室温，单次清洗"""
|
||
return generate_clean_vessel_protocol(G, vessel, solvent, volume, 25.0, 1)
|
||
|
||
|
||
def generate_thorough_clean_protocol(
|
||
G: nx.DiGraph,
|
||
vessel: dict, # 🔧 修改：从字符串改为字典类型
|
||
solvent: str = "water",
|
||
volume: float = 150.0,
|
||
temp: float = 60.0
|
||
) -> List[Dict[str, Any]]:
|
||
"""深度清洗：加热，多次清洗"""
|
||
return generate_clean_vessel_protocol(G, vessel, solvent, volume, temp, 3)
|
||
|
||
|
||
def generate_organic_clean_protocol(
|
||
G: nx.DiGraph,
|
||
vessel: dict, # 🔧 修改：从字符串改为字典类型
|
||
volume: float = 100.0
|
||
) -> List[Dict[str, Any]]:
|
||
"""有机清洗：先用有机溶剂，再用水清洗"""
|
||
action_sequence = []
|
||
|
||
# 第一步：有机溶剂清洗
|
||
try:
|
||
organic_actions = generate_clean_vessel_protocol(
|
||
G, vessel, "acetone", volume, 25.0, 2
|
||
)
|
||
action_sequence.extend(organic_actions)
|
||
except ValueError:
|
||
# 如果没有丙酮，尝试乙醇
|
||
try:
|
||
organic_actions = generate_clean_vessel_protocol(
|
||
G, vessel, "ethanol", volume, 25.0, 2
|
||
)
|
||
action_sequence.extend(organic_actions)
|
||
except ValueError:
|
||
print("警告：未找到有机溶剂，跳过有机清洗步骤")
|
||
|
||
# 第二步：水清洗
|
||
water_actions = generate_clean_vessel_protocol(
|
||
G, vessel, "water", volume, 25.0, 2
|
||
)
|
||
action_sequence.extend(water_actions)
|
||
|
||
return action_sequence
|
||
|
||
|
||
def get_vessel_liquid_volume(G: nx.DiGraph, vessel: str) -> float:
|
||
"""获取容器中的液体体积（修复版）"""
|
||
if vessel not in G.nodes():
|
||
return 0.0
|
||
|
||
vessel_data = G.nodes[vessel].get('data', {})
|
||
liquids = vessel_data.get('liquid', [])
|
||
|
||
total_volume = 0.0
|
||
for liquid in liquids:
|
||
if isinstance(liquid, dict):
|
||
# 支持两种格式：新格式 (name, volume) 和旧格式 (liquid_type, liquid_volume)
|
||
volume = liquid.get('volume') or liquid.get('liquid_volume', 0.0)
|
||
total_volume += volume
|
||
|
||
return total_volume
|
||
|
||
|
||
def get_vessel_liquid_types(G: nx.DiGraph, vessel: str) -> List[str]:
|
||
"""获取容器中所有液体的类型"""
|
||
if vessel not in G.nodes():
|
||
return []
|
||
|
||
vessel_data = G.nodes[vessel].get('data', {})
|
||
liquids = vessel_data.get('liquid', [])
|
||
|
||
liquid_types = []
|
||
for liquid in liquids:
|
||
if isinstance(liquid, dict):
|
||
# 支持两种格式的液体类型字段
|
||
liquid_type = liquid.get('liquid_type') or liquid.get('name', '')
|
||
if liquid_type:
|
||
liquid_types.append(liquid_type)
|
||
|
||
return liquid_types
|
||
|
||
|
||
def find_vessel_by_content(G: nx.DiGraph, content: str) -> List[str]:
|
||
"""
|
||
根据内容物查找所有匹配的容器
|
||
返回匹配容器的ID列表
|
||
"""
|
||
matching_vessels = []
|
||
|
||
for node_id in G.nodes():
|
||
if G.nodes[node_id].get('type') == 'container':
|
||
# 检查容器名称匹配
|
||
node_name = G.nodes[node_id].get('name', '').lower()
|
||
if content.lower() in node_id.lower() or content.lower() in node_name:
|
||
matching_vessels.append(node_id)
|
||
continue
|
||
|
||
# 检查液体类型匹配
|
||
vessel_data = G.nodes[node_id].get('data', {})
|
||
liquids = vessel_data.get('liquid', [])
|
||
config_data = G.nodes[node_id].get('config', {})
|
||
|
||
# 检查 reagent_name 和 config.reagent
|
||
reagent_name = vessel_data.get('reagent_name', '').lower()
|
||
config_reagent = config_data.get('reagent', '').lower()
|
||
|
||
if (content.lower() == reagent_name or
|
||
content.lower() == config_reagent):
|
||
matching_vessels.append(node_id)
|
||
continue
|
||
|
||
# 检查液体列表
|
||
for liquid in liquids:
|
||
if isinstance(liquid, dict):
|
||
liquid_type = liquid.get('liquid_type') or liquid.get('name', '')
|
||
if liquid_type.lower() == content.lower():
|
||
matching_vessels.append(node_id)
|
||
break
|
||
|
||
return matching_vessels |