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* 修复了部分的protocol因为XDL更新导致的问题 但是pumptransfer，add，dissolve，separate还没修，后续还需要写virtual固体加料器 * 补充了四个action * 添加了固体加样器，丰富了json，修改了add protocol * bump version to 0.9.9 * fix bugs from new actions * protocol完整修复版本& bump version to 0.9.10 * 修补了一些单位处理，bump version to 0.9.11 * 优化了全protocol的运行时间，除了pumptransfer相关的还没 * 补充了剩下的几个protocol --------- Co-authored-by: Junhan Chang <changjh@dp.tech> Co-authored-by: Xuwznln <18435084+Xuwznln@users.noreply.github.com>
249 lines
9.9 KiB
Python
249 lines
9.9 KiB
Python
import networkx as nx
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from typing import List, Dict, Any
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from .pump_protocol import generate_pump_protocol_with_rinsing
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def debug_print(message):
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"""调试输出"""
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print(f"🔄 [RESET_HANDLING] {message}", flush=True)
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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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Args:
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G: 网络图
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solvent: 溶剂名称（如 "methanol", "ethanol", "water"）
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Returns:
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str: 溶剂容器ID
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"""
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debug_print(f"🔍 正在查找溶剂 '{solvent}' 的容器... 🧪")
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# 构建可能的容器名称
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possible_names = [
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f"flask_{solvent}", # flask_methanol
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f"bottle_{solvent}", # bottle_methanol
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f"reagent_{solvent}", # reagent_methanol
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f"reagent_bottle_{solvent}", # reagent_bottle_methanol
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f"{solvent}_flask", # methanol_flask
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f"{solvent}_bottle", # methanol_bottle
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f"{solvent}", # methanol
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f"vessel_{solvent}", # vessel_methanol
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]
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debug_print(f"📋 候选容器名称: {possible_names[:3]}... (共{len(possible_names)}个) 📝")
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# 第一步：通过容器名称匹配
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debug_print(" 🎯 步骤1: 精确名称匹配...")
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for vessel_name in possible_names:
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if vessel_name in G.nodes():
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debug_print(f" 🎉 通过名称匹配找到容器: {vessel_name} ✨")
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return vessel_name
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debug_print(" 😞 精确名称匹配失败，尝试模糊匹配... 🔍")
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# 第二步：通过模糊匹配
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debug_print(" 🔍 步骤2: 模糊名称匹配...")
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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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node_name = G.nodes[node_id].get('name', '').lower()
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# 检查是否包含溶剂名称
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if solvent.lower() in node_id.lower() or solvent.lower() in node_name:
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debug_print(f" 🎉 通过模糊匹配找到容器: {node_id} ✨")
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return node_id
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debug_print(" 😞 模糊匹配失败，尝试液体类型匹配... 🧪")
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# 第三步：通过液体类型匹配
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debug_print(" 🧪 步骤3: 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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liquid_type = (liquid.get('liquid_type') or liquid.get('name', '')).lower()
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reagent_name = vessel_data.get('reagent_name', '').lower()
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if solvent.lower() in liquid_type or solvent.lower() in reagent_name:
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debug_print(f" 🎉 通过液体类型匹配找到容器: {node_id} ✨")
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return node_id
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# 列出可用容器帮助调试
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debug_print(" 📊 显示可用容器信息...")
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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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liquids = vessel_data.get('liquid', [])
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liquid_types = [liquid.get('liquid_type', '') or liquid.get('name', '')
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for liquid in liquids if isinstance(liquid, dict)]
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available_containers.append({
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'id': node_id,
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'name': G.nodes[node_id].get('name', ''),
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'liquids': liquid_types,
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'reagent_name': vessel_data.get('reagent_name', '')
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})
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debug_print(f" 📋 可用容器列表 (共{len(available_containers)}个):")
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for i, container in enumerate(available_containers[:5]): # 只显示前5个
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debug_print(f" {i+1}. 🥽 {container['id']}: {container['name']}")
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debug_print(f" 💧 液体: {container['liquids']}")
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debug_print(f" 🧪 试剂: {container['reagent_name']}")
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if len(available_containers) > 5:
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debug_print(f" ... 还有 {len(available_containers)-5} 个容器 📦")
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debug_print(f"❌ 找不到溶剂 '{solvent}' 对应的容器 😭")
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raise ValueError(f"找不到溶剂 '{solvent}' 对应的容器。尝试了: {possible_names[:3]}...")
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def generate_reset_handling_protocol(
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G: nx.DiGraph,
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solvent: str,
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**kwargs # 接收其他可能的参数但不使用
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) -> List[Dict[str, Any]]:
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"""
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生成重置处理协议序列
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Args:
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G: 有向图，节点为容器和设备
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solvent: 溶剂名称（从XDL传入）
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**kwargs: 其他可选参数，但不使用
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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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action_sequence = []
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# 固定参数
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target_vessel = "main_reactor" # 默认目标容器
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volume = 50.0 # 默认体积 50 mL
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debug_print("🔄" * 20)
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debug_print("🚀 开始生成重置处理协议 ✨")
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debug_print(f"📝 输入参数:")
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debug_print(f" 🧪 溶剂: {solvent}")
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debug_print(f" 🥽 目标容器: {target_vessel}")
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debug_print(f" 💧 体积: {volume} mL")
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debug_print(f" ⚙️ 其他参数: {kwargs}")
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debug_print("🔄" * 20)
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# 1. 验证目标容器存在
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debug_print("📍 步骤1: 验证目标容器... 🔧")
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if target_vessel not in G.nodes():
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debug_print(f"❌ 目标容器 '{target_vessel}' 不存在于系统中! 😱")
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raise ValueError(f"目标容器 '{target_vessel}' 不存在于系统中")
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debug_print(f"✅ 目标容器 '{target_vessel}' 验证通过 🎯")
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# 2. 查找溶剂容器
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debug_print("📍 步骤2: 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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debug_print(f"🎉 找到溶剂容器: {solvent_vessel} ✨")
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except ValueError as e:
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debug_print(f"❌ 溶剂容器查找失败: {str(e)} 😭")
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raise ValueError(f"无法找到溶剂 '{solvent}': {str(e)}")
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# 3. 验证路径存在
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debug_print("📍 步骤3: 验证传输路径... 🛤️")
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try:
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path = nx.shortest_path(G, source=solvent_vessel, target=target_vessel)
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debug_print(f"🛤️ 找到路径: {' → '.join(path)} ✅")
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except nx.NetworkXNoPath:
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debug_print(f"❌ 路径不可达: {solvent_vessel} → {target_vessel} 😞")
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raise ValueError(f"从溶剂容器 '{solvent_vessel}' 到目标容器 '{target_vessel}' 没有可用路径")
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# 4. 使用pump_protocol转移溶剂
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debug_print("📍 步骤4: 转移溶剂... 🚰")
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debug_print(f" 🚛 开始转移: {solvent_vessel} → {target_vessel}")
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debug_print(f" 💧 转移体积: {volume} mL")
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try:
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debug_print(" 🔄 生成泵送协议...")
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pump_actions = generate_pump_protocol_with_rinsing(
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G=G,
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from_vessel=solvent_vessel,
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to_vessel=target_vessel,
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volume=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="", # 重置处理不需要清洗
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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=2.5, # 正常流速
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transfer_flowrate=0.5 # 正常转移流速
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)
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action_sequence.extend(pump_actions)
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debug_print(f" ✅ 泵送协议已添加: {len(pump_actions)} 个动作 🚰✨")
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except Exception as e:
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debug_print(f" ❌ 泵送协议生成失败: {str(e)} 😭")
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raise ValueError(f"生成泵协议时出错: {str(e)}")
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# 5. 等待溶剂稳定
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debug_print("📍 步骤5: 等待溶剂稳定... ⏳")
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# 🕐 模拟运行时间优化
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debug_print(" ⏱️ 检查模拟运行时间限制...")
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original_wait_time = 10.0 # 原始等待时间
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simulation_time_limit = 5.0 # 模拟运行时间限制：5秒
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final_wait_time = min(original_wait_time, simulation_time_limit)
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if original_wait_time > simulation_time_limit:
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debug_print(f" 🎮 模拟运行优化: {original_wait_time}s → {final_wait_time}s ⚡")
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debug_print(f" 📊 时间缩短: {original_wait_time}s → {final_wait_time}s 🚀")
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else:
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debug_print(f" ✅ 时间在限制内: {final_wait_time}s 保持不变 🎯")
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action_sequence.append({
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"action_name": "wait",
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"action_kwargs": {
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"time": final_wait_time,
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"description": f"等待溶剂 {solvent} 稳定" + (f" (模拟时间)" if original_wait_time != final_wait_time else "")
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}
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})
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debug_print(f" ✅ 稳定等待已添加: {final_wait_time}s ⏰✨")
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# 显示时间调整信息
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if original_wait_time != final_wait_time:
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debug_print(f" 🎭 模拟优化说明: 原计划 {original_wait_time}s，实际模拟 {final_wait_time}s ⚡")
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# 🎊 总结
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debug_print("🔄" * 20)
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debug_print(f"🎉 重置处理协议生成完成! ✨")
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debug_print(f"📊 总动作数: {len(action_sequence)} 个")
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debug_print(f"🧪 溶剂: {solvent}")
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debug_print(f"🥽 源容器: {solvent_vessel}")
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debug_print(f"🥽 目标容器: {target_vessel}")
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debug_print(f"💧 转移体积: {volume} mL")
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debug_print(f"⏱️ 预计总时间: {(final_wait_time + 5):.0f} 秒 ⌛")
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debug_print(f"🎯 已添加 {volume} mL {solvent} 到 {target_vessel} 🚰✨")
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debug_print("🔄" * 20)
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return action_sequence
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# 测试函数
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def test_reset_handling_protocol():
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"""测试重置处理协议"""
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debug_print("🧪 === RESET HANDLING PROTOCOL 测试 === ✨")
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# 测试溶剂名称
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debug_print("🧪 测试常用溶剂名称...")
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test_solvents = ["methanol", "ethanol", "water", "acetone", "dmso"]
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for solvent in test_solvents:
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debug_print(f" 🔍 测试溶剂: {solvent}")
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debug_print("✅ 测试完成 🎉")
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if __name__ == "__main__":
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test_reset_handling_protocol() |