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https://github.com/dptech-corp/Uni-Lab-OS.git
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656 lines
21 KiB
Python
656 lines
21 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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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"[WASH_SOLID] {message}", flush=True)
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logger.info(f"[WASH_SOLID] {message}")
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def parse_volume_spec(volume_spec: str) -> float:
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"""
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解析体积规格字符串为毫升数
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Args:
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volume_spec: 体积规格字符串（如 "small volume", "large volume"）
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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_spec:
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return 0.0
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volume_spec = volume_spec.lower().strip()
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# 预定义的体积规格映射
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volume_spec_map = {
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# 小体积
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"small volume": 10.0,
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"small amount": 10.0,
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"minimal volume": 5.0,
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"tiny volume": 5.0,
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"little volume": 15.0,
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# 中等体积
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"medium volume": 50.0,
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"moderate volume": 50.0,
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"normal volume": 50.0,
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"standard volume": 50.0,
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# 大体积
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"large volume": 100.0,
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"big volume": 100.0,
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"substantial volume": 150.0,
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"generous volume": 200.0,
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# 极端体积
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"minimum": 5.0,
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"maximum": 500.0,
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"excess": 200.0,
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"plenty": 100.0,
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}
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# 直接匹配
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if volume_spec in volume_spec_map:
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result = volume_spec_map[volume_spec]
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debug_print(f"体积规格解析: '{volume_spec}' → {result}mL")
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return result
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# 模糊匹配
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for spec, value in volume_spec_map.items():
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if spec in volume_spec or volume_spec in spec:
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result = value
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debug_print(f"体积规格模糊匹配: '{volume_spec}' → '{spec}' → {result}mL")
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return result
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# 如果无法识别，返回默认值
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default_volume = 50.0
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debug_print(f"⚠️ 无法识别体积规格: '{volume_spec}'，使用默认值: {default_volume}mL")
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return default_volume
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def parse_repeats_spec(repeats_spec: str) -> int:
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"""
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解析重复次数规格字符串为整数
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Args:
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repeats_spec: 重复次数规格字符串（如 "several", "many"）
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Returns:
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int: 重复次数
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"""
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if not repeats_spec:
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return 1
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repeats_spec = repeats_spec.lower().strip()
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# 预定义的重复次数映射
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repeats_spec_map = {
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# 少数次
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"once": 1,
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"twice": 2,
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"few": 3,
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"couple": 2,
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"several": 4,
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"some": 3,
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# 多次
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"many": 5,
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"multiple": 4,
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"numerous": 6,
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"repeated": 3,
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"extensively": 5,
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"thoroughly": 4,
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# 极端情况
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"minimal": 1,
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"maximum": 10,
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"excess": 8,
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}
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# 直接匹配
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if repeats_spec in repeats_spec_map:
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result = repeats_spec_map[repeats_spec]
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debug_print(f"重复次数解析: '{repeats_spec}' → {result}次")
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return result
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# 模糊匹配
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for spec, value in repeats_spec_map.items():
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if spec in repeats_spec or repeats_spec in spec:
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result = value
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debug_print(f"重复次数模糊匹配: '{repeats_spec}' → '{spec}' → {result}次")
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return result
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# 如果无法识别，返回默认值
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default_repeats = 3
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debug_print(f"⚠️ 无法识别重复次数规格: '{repeats_spec}'，使用默认值: {default_repeats}次")
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return default_repeats
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def parse_mass_to_volume(mass: str) -> float:
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"""
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将质量字符串转换为体积（简化假设：密度约为1 g/mL）
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Args:
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mass: 质量字符串（如 "10 g", "2.5g", "100mg"）
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Returns:
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float: 体积（毫升）
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"""
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if not mass or not mass.strip():
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return 0.0
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mass = mass.lower().strip()
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debug_print(f"解析质量字符串: '{mass}'")
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# 移除空格并提取数字和单位
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mass_clean = re.sub(r'\s+', '', mass)
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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*(g|mg|kg|gram|milligram|kilogram)?', mass_clean)
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if not match:
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debug_print(f"⚠️ 无法解析质量字符串: '{mass}'，返回0.0mL")
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return 0.0
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value = float(match.group(1))
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unit = match.group(2) or 'g' # 默认单位为克
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# 转换为毫升（假设密度为1 g/mL）
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if unit in ['mg', 'milligram']:
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volume = value / 1000.0 # mg -> g -> mL
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elif unit in ['kg', 'kilogram']:
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volume = value * 1000.0 # kg -> g -> mL
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else: # g, gram 或默认
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volume = value # g -> mL (密度=1)
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debug_print(f"质量转换: {value}{unit} → {volume}mL")
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return volume
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def parse_volume_string(volume_str: str) -> float:
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"""
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解析体积字符串，支持带单位的输入
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Args:
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volume_str: 体积字符串（如 "10", "10 mL", "2.5L", "500μL", "?"）
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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_str or not volume_str.strip():
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return 0.0
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volume_str = volume_str.lower().strip()
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debug_print(f"解析体积字符串: '{volume_str}'")
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# 🔧 新增：处理未知体积符号
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if volume_str in ['?', 'unknown', 'tbd', 'to be determined', 'unspecified']:
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default_unknown_volume = 50.0 # 未知体积时的默认值
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debug_print(f"检测到未知体积符号 '{volume_str}'，使用默认值: {default_unknown_volume}mL")
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return default_unknown_volume
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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"⚠️ 无法解析体积字符串: '{volume_str}'，返回0.0mL")
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return 0.0
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value = float(match.group(1))
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unit = match.group(2) or 'ml' # 默认单位为毫升
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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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elif unit in ['μl', 'ul', 'microliter']:
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volume = value / 1000.0 # μL -> 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"体积转换: {value}{unit} → {volume}mL")
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return volume
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def parse_volume_input(volume: Union[float, str], volume_spec: str = "", mass: str = "") -> float:
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"""
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统一的体积输入解析函数 - 增强版
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Args:
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volume: 体积数值或字符串
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volume_spec: 体积规格字符串（优先级最高）
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mass: 质量字符串（优先级第二）
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Returns:
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float: 体积（毫升）
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"""
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debug_print(f"解析体积输入: volume={volume}, volume_spec='{volume_spec}', mass='{mass}'")
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# 优先级1：volume_spec
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if volume_spec and volume_spec.strip():
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result = parse_volume_spec(volume_spec)
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debug_print(f"使用volume_spec: {result}mL")
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return result
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# 优先级2：mass（质量转体积）
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if mass and mass.strip():
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result = parse_mass_to_volume(mass)
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if result > 0:
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debug_print(f"使用mass转换: {result}mL")
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return result
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# 优先级3：volume
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if volume:
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if isinstance(volume, str):
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# 字符串形式的体积
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result = parse_volume_string(volume)
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if result > 0:
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debug_print(f"使用volume字符串: {result}mL")
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return result
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elif isinstance(volume, (int, float)) and volume > 0:
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# 数值形式的体积
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result = float(volume)
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debug_print(f"使用volume数值: {result}mL")
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return result
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# 默认值
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default_volume = 50.0
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debug_print(f"⚠️ 所有体积输入无效，使用默认值: {default_volume}mL")
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return default_volume
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def parse_repeats_input(repeats: int, repeats_spec: str = "") -> int:
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"""
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统一的重复次数输入解析函数
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Args:
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repeats: 重复次数数值
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repeats_spec: 重复次数规格字符串（优先级高于repeats）
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Returns:
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int: 重复次数
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"""
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# 优先处理 repeats_spec
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if repeats_spec:
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return parse_repeats_spec(repeats_spec)
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# 处理 repeats
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if repeats > 0:
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return repeats
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# 默认值
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debug_print(f"⚠️ 无法处理重复次数输入: repeats={repeats}, repeats_spec='{repeats_spec}'，使用默认值: 1次")
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return 1
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def find_solvent_source(G: nx.DiGraph, solvent: str) -> str:
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"""查找溶剂源容器"""
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debug_print(f"查找溶剂 '{solvent}' 的源容器...")
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# 可能的溶剂容器名称
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possible_names = [
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f"flask_{solvent}",
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f"reagent_bottle_{solvent}",
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f"bottle_{solvent}",
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f"container_{solvent}",
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f"source_{solvent}",
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f"liquid_reagent_bottle_{solvent}"
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]
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for name in possible_names:
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if name in G.nodes():
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debug_print(f"找到溶剂容器: {name}")
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return name
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# 查找通用容器
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generic_containers = [
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"liquid_reagent_bottle_1",
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"liquid_reagent_bottle_2",
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"reagent_bottle_1",
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"reagent_bottle_2",
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"flask_1",
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"flask_2",
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"solvent_bottle"
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]
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for container in generic_containers:
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if container in G.nodes():
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debug_print(f"使用通用容器: {container}")
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return container
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debug_print("未找到溶剂容器，使用默认容器")
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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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"""查找滤液收集容器"""
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debug_print(f"查找滤液收集容器，指定容器: '{filtrate_vessel}'")
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# 如果指定了容器且存在，直接使用
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if filtrate_vessel and filtrate_vessel.strip():
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if filtrate_vessel in G.nodes():
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debug_print(f"使用指定的滤液容器: {filtrate_vessel}")
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return filtrate_vessel
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else:
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debug_print(f"指定的滤液容器 '{filtrate_vessel}' 不存在，查找默认容器")
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# 自动查找滤液容器
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possible_names = [
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"waste_workup", # 废液收集
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"filtrate_vessel", # 标准滤液容器
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"collection_bottle_1", # 收集瓶
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"collection_bottle_2", # 收集瓶
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"rotavap", # 旋蒸仪
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"waste_flask", # 废液瓶
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"flask_1", # 通用烧瓶
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"flask_2" # 通用烧瓶
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]
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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"找到滤液收集容器: {vessel_name}")
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return vessel_name
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debug_print("未找到滤液收集容器，使用默认容器")
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return "waste_workup"
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def generate_wash_solid_protocol(
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G: nx.DiGraph,
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vessel: str,
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solvent: str,
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volume: Union[float, str] = 0.0, # 🔧 修改：支持字符串输入
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filtrate_vessel: str = "",
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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: float = 0.0,
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repeats: int = 1,
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# === 新增参数 ===
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volume_spec: str = "", # 体积规格
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repeats_spec: str = "", # 重复次数规格
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mass: str = "", # 🔧 新增：固体质量（用于转换体积）
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event: str = "", # 事件标识符
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**kwargs
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) -> List[Dict[str, Any]]:
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"""
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生成固体清洗操作的协议序列 - 增强版
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支持多种体积输入方式：
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1. volume_spec: "small volume", "large volume" 等
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2. mass: "10 g", "2.5 kg", "500 mg" 等（转换为体积）
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3. volume: 数值或字符串 "10", "10 mL", "2.5 L" 等
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"""
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debug_print("=" * 60)
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debug_print("开始生成固体清洗协议")
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debug_print(f"输入参数:")
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debug_print(f" - vessel: {vessel}")
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debug_print(f" - solvent: {solvent}")
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debug_print(f" - volume: {volume} (类型: {type(volume)})")
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debug_print(f" - volume_spec: '{volume_spec}'")
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debug_print(f" - mass: '{mass}'") # 🔧 新增日志
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debug_print(f" - filtrate_vessel: '{filtrate_vessel}'")
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debug_print(f" - temp: {temp}°C")
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debug_print(f" - stir: {stir}")
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debug_print(f" - stir_speed: {stir_speed} RPM")
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debug_print(f" - time: {time}s")
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debug_print(f" - repeats: {repeats}")
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debug_print(f" - repeats_spec: '{repeats_spec}'")
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debug_print(f" - event: '{event}'")
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debug_print(f" - 其他参数: {kwargs}")
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debug_print("=" * 60)
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action_sequence = []
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# === 参数验证 ===
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debug_print("步骤1: 参数验证...")
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# 验证必需参数
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if not vessel:
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raise ValueError("vessel 参数不能为空")
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if not solvent:
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raise ValueError("solvent 参数不能为空")
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if vessel not in G.nodes():
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raise ValueError(f"容器 '{vessel}' 不存在于系统中")
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debug_print(f"✅ 必需参数验证通过")
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# === 参数处理 ===
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debug_print("步骤2: 参数处理...")
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# 🔧 修改：处理体积参数（支持mass转换和字符串解析）
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final_volume = parse_volume_input(volume, volume_spec, mass)
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debug_print(f"最终体积: {final_volume}mL")
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# 处理重复次数参数（repeats_spec优先）
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final_repeats = parse_repeats_input(repeats, repeats_spec)
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debug_print(f"最终重复次数: {final_repeats}次")
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# 修正参数范围
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if temp < 0 or temp > 200:
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debug_print(f"温度 {temp}°C 超出范围，修正为 25°C")
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temp = 25.0
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if stir_speed < 0 or stir_speed > 500:
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debug_print(f"搅拌速度 {stir_speed} RPM 超出范围，修正为 200 RPM")
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stir_speed = 200.0 if stir else 0.0
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if time < 0:
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debug_print(f"时间 {time}s 无效，修正为 0")
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time = 0.0
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if final_repeats < 1:
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debug_print(f"重复次数 {final_repeats} 无效，修正为 1")
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final_repeats = 1
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elif final_repeats > 10:
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debug_print(f"重复次数 {final_repeats} 过多，修正为 10")
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final_repeats = 10
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debug_print(f"✅ 参数处理完成")
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# === 查找设备 ===
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debug_print("步骤3: 查找设备...")
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try:
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||
# 查找溶剂源
|
||
solvent_source = find_solvent_source(G, solvent)
|
||
|
||
# 查找滤液收集容器
|
||
actual_filtrate_vessel = find_filtrate_vessel(G, filtrate_vessel)
|
||
|
||
# 查找过滤器（用于过滤操作）
|
||
filter_device = None
|
||
for node in G.nodes():
|
||
node_data = G.nodes[node]
|
||
node_class = node_data.get('class', '') or ''
|
||
if 'filter' in node_class.lower():
|
||
filter_device = node
|
||
break
|
||
|
||
if not filter_device:
|
||
filter_device = "filter_1" # 默认过滤器
|
||
|
||
# 查找转移泵（用于转移溶剂）
|
||
transfer_pump = None
|
||
for node in G.nodes():
|
||
node_data = G.nodes[node]
|
||
node_class = node_data.get('class', '') or ''
|
||
if 'transfer' in node_class.lower() and 'pump' in node_class.lower():
|
||
transfer_pump = node
|
||
break
|
||
|
||
if not transfer_pump:
|
||
transfer_pump = "transfer_pump_1" # 默认转移泵
|
||
|
||
# 查找搅拌器（如果需要搅拌）
|
||
stirrer_device = None
|
||
if stir:
|
||
for node in G.nodes():
|
||
node_data = G.nodes[node]
|
||
node_class = node_data.get('class', '') or ''
|
||
if 'stirrer' in node_class.lower():
|
||
stirrer_device = node
|
||
break
|
||
|
||
if not stirrer_device:
|
||
stirrer_device = "stirrer_1" # 默认搅拌器
|
||
|
||
debug_print(f"设备配置:")
|
||
debug_print(f" - 溶剂源: {solvent_source}")
|
||
debug_print(f" - 转移泵: {transfer_pump}")
|
||
debug_print(f" - 过滤器: {filter_device}")
|
||
debug_print(f" - 搅拌器: {stirrer_device}")
|
||
debug_print(f" - 滤液容器: {actual_filtrate_vessel}")
|
||
|
||
except Exception as e:
|
||
debug_print(f"❌ 设备查找失败: {str(e)}")
|
||
raise ValueError(f"设备查找失败: {str(e)}")
|
||
|
||
# === 执行清洗循环 ===
|
||
debug_print("步骤4: 执行清洗循环...")
|
||
|
||
for cycle in range(final_repeats):
|
||
debug_print(f"=== 第 {cycle+1}/{final_repeats} 次清洗 ===")
|
||
|
||
# 🔧 修复：分解为基础动作序列
|
||
|
||
# 1. 加入清洗溶剂
|
||
debug_print(f" 步骤 {cycle+1}.1: 加入清洗溶剂")
|
||
# 🔧 修复：使用 pump protocol 而不是直接调用 transfer action
|
||
try:
|
||
from .pump_protocol import generate_pump_protocol_with_rinsing
|
||
|
||
transfer_actions = generate_pump_protocol_with_rinsing(
|
||
G=G,
|
||
from_vessel=solvent_source,
|
||
to_vessel=vessel,
|
||
volume=final_volume,
|
||
amount="",
|
||
time=0.0,
|
||
viscous=False,
|
||
rinsing_solvent="",
|
||
rinsing_volume=0.0,
|
||
rinsing_repeats=0,
|
||
solid=False,
|
||
flowrate=2.5,
|
||
transfer_flowrate=0.5,
|
||
rate_spec="",
|
||
event=event,
|
||
through=""
|
||
)
|
||
|
||
if transfer_actions:
|
||
action_sequence.extend(transfer_actions)
|
||
debug_print(f"✅ 添加了 {len(transfer_actions)} 个转移动作")
|
||
else:
|
||
debug_print("⚠️ 转移协议返回空序列")
|
||
|
||
except Exception as e:
|
||
debug_print(f"❌ 转移失败: {str(e)}")
|
||
# 继续执行，可能有其他问题
|
||
|
||
# 2. 搅拌混合（如果需要）
|
||
if stir and stirrer_device:
|
||
debug_print(f" 步骤 {cycle+1}.2: 搅拌混合")
|
||
stir_time = max(time, 30.0) if time > 0 else 60.0 # 默认搅拌1分钟
|
||
|
||
stir_action = {
|
||
"device_id": stirrer_device,
|
||
"action_name": "stir",
|
||
"action_kwargs": {
|
||
"vessel": vessel,
|
||
"time": str(int(stir_time)), # 转换为字符串格式
|
||
"event": event,
|
||
"time_spec": "",
|
||
"stir_time": stir_time,
|
||
"stir_speed": stir_speed,
|
||
"settling_time": 30.0
|
||
}
|
||
}
|
||
action_sequence.append(stir_action)
|
||
|
||
# 3. 过滤分离
|
||
debug_print(f" 步骤 {cycle+1}.3: 过滤分离")
|
||
filter_action = {
|
||
"device_id": filter_device,
|
||
"action_name": "filter",
|
||
"action_kwargs": {
|
||
"vessel": vessel,
|
||
"filtrate_vessel": actual_filtrate_vessel,
|
||
"stir": False, # 过滤时不搅拌
|
||
"stir_speed": 0.0,
|
||
"temp": temp,
|
||
"continue_heatchill": False,
|
||
"volume": final_volume
|
||
}
|
||
}
|
||
action_sequence.append(filter_action)
|
||
|
||
# 4. 等待完成
|
||
wait_time = 10.0
|
||
action_sequence.append({
|
||
"action_name": "wait",
|
||
"action_kwargs": {"time": wait_time}
|
||
})
|
||
|
||
# === 总结 ===
|
||
debug_print("=" * 60)
|
||
debug_print(f"固体清洗协议生成完成")
|
||
debug_print(f"总动作数: {len(action_sequence)}")
|
||
debug_print(f"清洗容器: {vessel}")
|
||
debug_print(f"使用溶剂: {solvent}")
|
||
debug_print(f"清洗体积: {final_volume}mL")
|
||
debug_print(f"重复次数: {final_repeats}")
|
||
debug_print(f"滤液收集: {actual_filtrate_vessel}")
|
||
debug_print(f"事件标识: {event}")
|
||
debug_print("=" * 60)
|
||
|
||
return action_sequence
|
||
|
||
# 删除不需要的函数，简化代码
|
||
def find_wash_solid_device(G: nx.DiGraph) -> str:
|
||
"""
|
||
🗑️ 已弃用：WashSolid不再作为单一设备动作
|
||
现在分解为基础动作序列：transfer + stir + filter
|
||
"""
|
||
debug_print("⚠️ find_wash_solid_device 已弃用，使用基础动作序列")
|
||
return "OrganicSynthesisStation" # 兼容性返回
|
||
|
||
# === 便捷函数 ===
|
||
|
||
def generate_water_wash_protocol(
|
||
G: nx.DiGraph,
|
||
vessel: str,
|
||
volume: float = 50.0,
|
||
**kwargs
|
||
) -> List[Dict[str, Any]]:
|
||
"""水洗协议：用水清洗固体"""
|
||
return generate_wash_solid_protocol(
|
||
G, vessel, "water", volume, **kwargs
|
||
)
|
||
|
||
def generate_organic_wash_protocol(
|
||
G: nx.DiGraph,
|
||
vessel: str,
|
||
solvent: str,
|
||
volume: float = 30.0,
|
||
**kwargs
|
||
) -> List[Dict[str, Any]]:
|
||
"""有机溶剂清洗协议：用有机溶剂清洗固体"""
|
||
return generate_wash_solid_protocol(
|
||
G, vessel, solvent, volume, **kwargs
|
||
)
|
||
|
||
def generate_thorough_wash_protocol(
|
||
G: nx.DiGraph,
|
||
vessel: str,
|
||
solvent: str,
|
||
volume: float = 100.0,
|
||
**kwargs
|
||
) -> List[Dict[str, Any]]:
|
||
"""彻底清洗协议：多次清洗，搅拌，加热"""
|
||
return generate_wash_solid_protocol(
|
||
G, vessel, solvent, volume,
|
||
repeats=4, temp=50.0, stir=True, stir_speed=200.0, time=300.0, **kwargs
|
||
) |