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https://github.com/dptech-corp/Uni-Lab-OS.git
synced 2025-12-17 13:01:12 +00:00
fix all protocol_compilers and remove deprecated devices
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@@ -3,91 +3,16 @@ import re
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import logging
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from typing import List, Dict, Any, Tuple, Union
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from .utils.vessel_parser import get_vessel
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from .utils.unit_parser import parse_volume_input
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from .pump_protocol import generate_pump_protocol_with_rinsing
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logger = logging.getLogger(__name__)
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def debug_print(message):
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"""调试输出"""
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print(f"💎 [RECRYSTALLIZE] {message}", flush=True)
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logger.info(f"[RECRYSTALLIZE] {message}")
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def parse_volume_with_units(volume_input: Union[str, float, int], default_unit: str = "mL") -> float:
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"""
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解析带单位的体积输入
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Args:
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volume_input: 体积输入(如 "100 mL", "2.5 L", "500", "?", 100.0)
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default_unit: 默认单位(默认为毫升)
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Returns:
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float: 体积(毫升)
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"""
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if not volume_input:
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debug_print("⚠️ 体积输入为空,返回 0.0mL 📦")
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return 0.0
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# 处理数值输入
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if isinstance(volume_input, (int, float)):
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result = float(volume_input)
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debug_print(f"🔢 数值体积输入: {volume_input} → {result}mL(默认单位)💧")
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return result
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# 处理字符串输入
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volume_str = str(volume_input).lower().strip()
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debug_print(f"🔍 解析体积字符串: '{volume_str}' 📝")
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# 处理特殊值
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if volume_str in ['?', 'unknown', 'tbd', 'to be determined']:
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default_volume = 50.0 # 50mL默认值
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debug_print(f"❓ 检测到未知体积,使用默认值: {default_volume}mL 🎯")
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return default_volume
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# 如果是纯数字,使用默认单位
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try:
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value = float(volume_str)
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if default_unit.lower() in ["ml", "milliliter"]:
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result = value
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elif default_unit.lower() in ["l", "liter"]:
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result = value * 1000.0
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elif default_unit.lower() in ["μl", "ul", "microliter"]:
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result = value / 1000.0
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else:
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result = value # 默认mL
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debug_print(f"🔢 纯数字输入: {volume_str} → {result}mL(单位: {default_unit})📏")
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return result
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except ValueError:
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pass
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# 移除空格并提取数字和单位
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volume_clean = re.sub(r'\s+', '', volume_str)
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# 匹配数字和单位的正则表达式
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match = re.match(r'([0-9]*\.?[0-9]+)\s*(ml|l|μl|ul|microliter|milliliter|liter)?', volume_clean)
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if not match:
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debug_print(f"⚠️ 无法解析体积: '{volume_str}',使用默认值: 50mL 🎯")
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return 50.0
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value = float(match.group(1))
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unit = match.group(2) or default_unit.lower()
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# 转换为毫升
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if unit in ['l', 'liter']:
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volume = value * 1000.0 # L -> mL
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debug_print(f"📏 升转毫升: {value}L → {volume}mL 💧")
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elif unit in ['μl', 'ul', 'microliter']:
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volume = value / 1000.0 # μL -> mL
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debug_print(f"📏 微升转毫升: {value}μL → {volume}mL 💧")
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else: # ml, milliliter 或默认
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volume = value # 已经是mL
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debug_print(f"📏 毫升单位: {value}mL → {volume}mL 💧")
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debug_print(f"✅ 体积解析完成: '{volume_str}' → {volume}mL ✨")
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return volume
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def parse_ratio(ratio_str: str) -> Tuple[float, float]:
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"""
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解析比例字符串,支持多种格式
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@@ -137,131 +62,6 @@ def parse_ratio(ratio_str: str) -> Tuple[float, float]:
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return 1.0, 1.0
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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
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Args:
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G: 网络图
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solvent: 溶剂名称
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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}",
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f"bottle_{solvent}",
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f"reagent_{solvent}",
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f"reagent_bottle_{solvent}",
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f"{solvent}_flask",
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f"{solvent}_bottle",
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f"{solvent}",
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f"vessel_{solvent}",
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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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# 第二步:通过模糊匹配(节点ID和名称)
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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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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} (名称: {node_name}) ✨")
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return node_id
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# 第三步:通过配置中的试剂信息匹配
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debug_print(" 🧪 步骤3: 配置试剂信息匹配...")
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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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# 检查 config 中的 reagent 字段
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node_config = G.nodes[node_id].get('config', {})
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config_reagent = node_config.get('reagent', '').lower()
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if config_reagent and solvent.lower() == config_reagent:
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debug_print(f" 🎉 通过config.reagent匹配找到容器: {node_id} (试剂: {config_reagent}) ✨")
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return node_id
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# 第四步:通过数据中的试剂信息匹配
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debug_print(" 🧪 步骤4: 数据试剂信息匹配...")
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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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# 检查 data 中的 reagent_name 字段
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reagent_name = vessel_data.get('reagent_name', '').lower()
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if reagent_name and solvent.lower() == reagent_name:
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debug_print(f" 🎉 通过data.reagent_name匹配找到容器: {node_id} (试剂: {reagent_name}) ✨")
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return node_id
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# 检查 data 中的液体信息
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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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if solvent.lower() in liquid_type:
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debug_print(f" 🎉 通过液体类型匹配找到容器: {node_id} (液体类型: {liquid_type}) ✨")
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return node_id
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# 第五步:部分匹配(如果前面都没找到)
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debug_print(" 🔍 步骤5: 部分匹配...")
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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_config = G.nodes[node_id].get('config', {})
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node_data = G.nodes[node_id].get('data', {})
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node_name = G.nodes[node_id].get('name', '').lower()
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config_reagent = node_config.get('reagent', '').lower()
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data_reagent = node_data.get('reagent_name', '').lower()
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# 检查是否包含溶剂名称
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if (solvent.lower() in config_reagent or
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solvent.lower() in data_reagent or
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solvent.lower() in node_name or
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solvent.lower() in node_id.lower()):
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debug_print(f" 🎉 通过部分匹配找到容器: {node_id} ✨")
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debug_print(f" - 节点名称: {node_name}")
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debug_print(f" - 配置试剂: {config_reagent}")
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debug_print(f" - 数据试剂: {data_reagent}")
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return node_id
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# 调试信息:列出所有容器
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debug_print(" 🔎 调试信息:列出所有容器...")
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container_list = []
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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_config = G.nodes[node_id].get('config', {})
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node_data = G.nodes[node_id].get('data', {})
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node_name = G.nodes[node_id].get('name', '')
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container_info = {
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'id': node_id,
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'name': node_name,
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'config_reagent': node_config.get('reagent', ''),
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'data_reagent': node_data.get('reagent_name', '')
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}
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container_list.append(container_info)
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debug_print(f" - 容器: {node_id}, 名称: {node_name}, config试剂: {node_config.get('reagent', '')}, data试剂: {node_data.get('reagent_name', '')}")
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debug_print(f"❌ 找不到溶剂 '{solvent}' 对应的容器 😭")
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debug_print(f"🔍 查找的溶剂: '{solvent}' (小写: '{solvent.lower()}')")
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debug_print(f"📊 总共发现 {len(container_list)} 个容器")
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raise ValueError(f"找不到溶剂 '{solvent}' 对应的容器")
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def generate_recrystallize_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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@@ -322,7 +122,7 @@ def generate_recrystallize_protocol(
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# 2. 解析体积(支持单位)
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debug_print("📍 步骤2: 解析体积(支持单位)... 💧")
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final_volume = parse_volume_with_units(volume, "mL")
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final_volume = parse_volume_input(volume, "mL")
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debug_print(f"🎯 体积解析完成: {volume} → {final_volume}mL ✨")
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# 3. 解析比例
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@@ -574,7 +374,7 @@ def test_recrystallize_protocol():
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debug_print("💧 测试体积解析...")
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test_volumes = ["100 mL", "2.5 L", "500", "50.5", "?", "invalid"]
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for vol in test_volumes:
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parsed = parse_volume_with_units(vol)
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parsed = parse_volume_input(vol)
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debug_print(f" 📊 体积 '{vol}' -> {parsed}mL")
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# 测试比例解析
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