mirror of
https://github.com/deepmodeling/Uni-Lab-OS
synced 2026-03-25 13:53:08 +00:00
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>
326 lines
12 KiB
Python
326 lines
12 KiB
Python
from typing import List, Dict, Any, Union
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import networkx as nx
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import logging
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import re
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from .utils.unit_parser import parse_time_input, parse_volume_input
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from .utils.resource_helper import get_resource_id, get_resource_display_info, get_resource_liquid_volume, update_vessel_volume
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from .utils.logger_util import debug_print
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logger = logging.getLogger(__name__)
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def find_solvent_source(G: nx.DiGraph, solvent: str) -> str:
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"""查找溶剂源"""
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search_patterns = [
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f"flask_{solvent}", f"bottle_{solvent}", f"reagent_{solvent}",
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"liquid_reagent_bottle_1", "flask_1", "solvent_bottle"
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]
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for pattern in search_patterns:
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if pattern in G.nodes():
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debug_print(f"找到溶剂源: {pattern}")
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return pattern
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debug_print(f"使用默认溶剂源: flask_{solvent}")
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return f"flask_{solvent}"
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def find_filtrate_vessel(G: nx.DiGraph, filtrate_vessel: str = "") -> str:
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"""查找滤液容器"""
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if filtrate_vessel and filtrate_vessel in G.nodes():
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return filtrate_vessel
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default_vessels = ["waste_workup", "filtrate_vessel", "flask_1", "collection_bottle_1"]
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for vessel in default_vessels:
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if vessel in G.nodes():
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debug_print(f"找到滤液容器: {vessel}")
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return vessel
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return "waste_workup"
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def extract_vessel_id(vessel) -> str:
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"""从vessel参数中提取vessel_id，兼容 str / dict / ResourceDictInstance"""
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return get_resource_id(vessel)
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def get_vessel_display_info(vessel) -> str:
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"""获取容器的显示信息（用于日志），兼容 str / dict / ResourceDictInstance"""
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return get_resource_display_info(vessel)
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def generate_wash_solid_protocol(
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G: nx.DiGraph,
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vessel: Union[str, dict],
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solvent: str,
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volume: Union[float, str] = "50",
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filtrate_vessel: Union[str, dict] = "",
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temp: float = 25.0,
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stir: bool = False,
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stir_speed: float = 0.0,
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time: Union[str, float] = "0",
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repeats: int = 1,
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volume_spec: str = "",
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repeats_spec: str = "",
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mass: str = "",
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event: str = "",
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**kwargs
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) -> List[Dict[str, Any]]:
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"""
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生成固体清洗协议 - 支持vessel字典和体积运算
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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: 清洗容器字典（从XDL传入）或容器ID字符串
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solvent: 清洗溶剂名称
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volume: 溶剂体积（每次清洗）
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filtrate_vessel: 滤液收集容器字典或容器ID字符串
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temp: 清洗温度（°C）
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stir: 是否搅拌
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stir_speed: 搅拌速度（RPM）
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time: 搅拌时间
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repeats: 清洗重复次数
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volume_spec: 体积规格（small/medium/large）
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repeats_spec: 重复次数规格（few/several/many）
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mass: 固体质量（用于计算溶剂用量）
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event: 事件描述
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**kwargs: 其他可选参数
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Returns:
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List[Dict[str, Any]]: 固体清洗操作的动作序列
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"""
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vessel_id = extract_vessel_id(vessel)
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vessel_display = get_vessel_display_info(vessel)
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filtrate_vessel_id = extract_vessel_id(filtrate_vessel) if filtrate_vessel else ""
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debug_print(f"开始生成固体清洗协议: vessel={vessel_id}, solvent={solvent}, volume={volume}, repeats={repeats}")
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# 记录清洗前的容器状态
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if isinstance(vessel, dict):
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original_volume = get_resource_liquid_volume(vessel)
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else:
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original_volume = 0.0
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# 快速验证
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if not vessel_id or vessel_id not in G.nodes():
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raise ValueError("vessel 参数无效")
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if not solvent:
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raise ValueError("solvent 参数不能为空")
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# 参数解析
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final_volume = parse_volume_input(volume, volume_spec, mass)
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final_time = parse_time_input(time)
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# 重复次数处理
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if repeats_spec:
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spec_map = {'few': 2, 'several': 3, 'many': 4, 'thorough': 5}
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final_repeats = next((v for k, v in spec_map.items() if k in repeats_spec.lower()), repeats)
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else:
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final_repeats = max(1, min(repeats, 5))
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# 模拟时间优化
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original_time = final_time
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if final_time > 60.0:
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final_time = 60.0
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debug_print(f"时间优化: {original_time}s -> {final_time}s")
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# 参数修正
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temp = max(25.0, min(temp, 80.0))
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stir_speed = max(0.0, min(stir_speed, 300.0)) if stir else 0.0
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debug_print(f"最终参数: 体积={final_volume}mL, 时间={final_time}s, 重复={final_repeats}次")
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# 查找设备
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try:
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solvent_source = find_solvent_source(G, solvent)
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actual_filtrate_vessel = find_filtrate_vessel(G, filtrate_vessel_id)
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except Exception as e:
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raise ValueError(f"设备查找失败: {str(e)}")
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# 生成动作序列
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action_sequence = []
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current_volume = original_volume
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total_solvent_used = 0.0
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for cycle in range(final_repeats):
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debug_print(f"第{cycle+1}/{final_repeats}次清洗")
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# 1. 转移溶剂
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try:
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from .pump_protocol import generate_pump_protocol_with_rinsing
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transfer_actions = generate_pump_protocol_with_rinsing(
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G=G,
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from_vessel=solvent_source,
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to_vessel=vessel_id,
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volume=final_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=2.5,
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transfer_flowrate=0.5
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)
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if transfer_actions:
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action_sequence.extend(transfer_actions)
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current_volume += final_volume
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total_solvent_used += final_volume
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if isinstance(vessel, dict):
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update_vessel_volume(vessel, G, current_volume,
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f"第{cycle+1}次清洗添加{final_volume}mL溶剂后")
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except Exception as e:
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debug_print(f"转移失败: {str(e)}")
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# 2. 搅拌（如果需要）
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if stir and final_time > 0:
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stir_action = {
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"device_id": "stirrer_1",
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"action_name": "stir",
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"action_kwargs": {
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"vessel": {"id": vessel_id},
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"time": str(time),
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"stir_time": final_time,
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"stir_speed": stir_speed,
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"settling_time": 10.0
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}
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}
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action_sequence.append(stir_action)
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# 3. 过滤
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filter_action = {
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"device_id": "filter_1",
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"action_name": "filter",
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"action_kwargs": {
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"vessel": {"id": vessel_id},
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"filtrate_vessel": actual_filtrate_vessel,
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"temp": temp,
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"volume": final_volume
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}
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}
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action_sequence.append(filter_action)
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# 更新体积 - 过滤后
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filtered_volume = current_volume * 0.9
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current_volume = current_volume - filtered_volume
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if isinstance(vessel, dict):
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update_vessel_volume(vessel, G, current_volume,
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f"第{cycle+1}次清洗过滤后")
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# 4. 等待
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wait_time = 5.0
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action_sequence.append({
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"action_name": "wait",
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"action_kwargs": {"time": wait_time}
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})
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# 最终状态
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if isinstance(vessel, dict):
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final_volume_vessel = get_resource_liquid_volume(vessel)
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else:
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final_volume_vessel = current_volume
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debug_print(f"固体清洗协议生成完成: {len(action_sequence)} 个动作, {final_repeats}次清洗, 溶剂总用量={total_solvent_used:.2f}mL")
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return action_sequence
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# 便捷函数
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def wash_with_water(G: nx.DiGraph, vessel: Union[str, dict],
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volume: Union[float, str] = "50",
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repeats: int = 2) -> List[Dict[str, Any]]:
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"""用水清洗固体"""
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return generate_wash_solid_protocol(G, vessel, "water", volume=volume, repeats=repeats)
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def wash_with_ethanol(G: nx.DiGraph, vessel: Union[str, dict],
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volume: Union[float, str] = "30",
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repeats: int = 1) -> List[Dict[str, Any]]:
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"""用乙醇清洗固体"""
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return generate_wash_solid_protocol(G, vessel, "ethanol", volume=volume, repeats=repeats)
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def wash_with_acetone(G: nx.DiGraph, vessel: Union[str, dict],
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volume: Union[float, str] = "25",
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repeats: int = 1) -> List[Dict[str, Any]]:
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"""用丙酮清洗固体"""
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return generate_wash_solid_protocol(G, vessel, "acetone", volume=volume, repeats=repeats)
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def wash_with_ether(G: nx.DiGraph, vessel: Union[str, dict],
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volume: Union[float, str] = "40",
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repeats: int = 2) -> List[Dict[str, Any]]:
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"""用乙醚清洗固体"""
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return generate_wash_solid_protocol(G, vessel, "diethyl_ether", volume=volume, repeats=repeats)
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def wash_with_cold_solvent(G: nx.DiGraph, vessel: Union[str, dict],
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solvent: str, volume: Union[float, str] = "30",
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repeats: int = 1) -> List[Dict[str, Any]]:
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"""用冷溶剂清洗固体"""
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return generate_wash_solid_protocol(G, vessel, solvent, volume=volume,
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temp=5.0, repeats=repeats)
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def wash_with_hot_solvent(G: nx.DiGraph, vessel: Union[str, dict],
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solvent: str, volume: Union[float, str] = "50",
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repeats: int = 1) -> List[Dict[str, Any]]:
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"""用热溶剂清洗固体"""
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return generate_wash_solid_protocol(G, vessel, solvent, volume=volume,
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temp=60.0, repeats=repeats)
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def wash_with_stirring(G: nx.DiGraph, vessel: Union[str, dict],
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solvent: str, volume: Union[float, str] = "50",
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stir_time: Union[str, float] = "5 min",
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repeats: int = 1) -> List[Dict[str, Any]]:
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"""带搅拌的溶剂清洗"""
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return generate_wash_solid_protocol(G, vessel, solvent, volume=volume,
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stir=True, stir_speed=200.0,
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time=stir_time, repeats=repeats)
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def thorough_wash(G: nx.DiGraph, vessel: Union[str, dict],
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solvent: str, volume: Union[float, str] = "50") -> List[Dict[str, Any]]:
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"""彻底清洗（多次重复）"""
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return generate_wash_solid_protocol(G, vessel, solvent, volume=volume, repeats=5)
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def quick_rinse(G: nx.DiGraph, vessel: Union[str, dict],
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solvent: str, volume: Union[float, str] = "20") -> List[Dict[str, Any]]:
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"""快速冲洗（单次，小体积）"""
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return generate_wash_solid_protocol(G, vessel, solvent, volume=volume, repeats=1)
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def sequential_wash(G: nx.DiGraph, vessel: Union[str, dict],
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solvents: list, volume: Union[float, str] = "40") -> List[Dict[str, Any]]:
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"""连续多溶剂清洗"""
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action_sequence = []
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for solvent in solvents:
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wash_actions = generate_wash_solid_protocol(G, vessel, solvent,
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volume=volume, repeats=1)
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action_sequence.extend(wash_actions)
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return action_sequence
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# 测试函数
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def test_wash_solid_protocol():
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"""测试固体清洗协议"""
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debug_print("=== WASH SOLID PROTOCOL 测试 ===")
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vessel_dict = {"id": "filter_flask_1", "name": "过滤瓶1",
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"data": {"liquid_volume": 25.0}}
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vessel_id = extract_vessel_id(vessel_dict)
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vessel_display = get_vessel_display_info(vessel_dict)
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volume = get_resource_liquid_volume(vessel_dict)
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debug_print(f"字典格式: ID={vessel_id}, 显示={vessel_display}, 体积={volume}mL")
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vessel_str = "filter_flask_2"
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vessel_id = extract_vessel_id(vessel_str)
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vessel_display = get_vessel_display_info(vessel_str)
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debug_print(f"字符串格式: ID={vessel_id}, 显示={vessel_display}")
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debug_print("测试完成")
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if __name__ == "__main__":
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test_wash_solid_protocol()
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