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refactor: 14个协议编译器去重精简，删除死代码

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- 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>
This commit is contained in:
Junhan Chang
2026-03-25 13:12:10 +08:00
parent 5f36b6c04b
commit 0ab4027de7
15 changed files with 1018 additions and 3461 deletions
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293
unilabos/compile/evaporate_protocol.py
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@@ -4,128 +4,99 @@ import logging
import re
from .utils.vessel_parser import get_vessel
from .utils.unit_parser import parse_time_input
from .utils.logger_util import debug_print
logger = logging.getLogger(__name__)
def debug_print(message):
"""调试输出"""
logger.info(f"[EVAPORATE] {message}")
def find_rotavap_device(G: nx.DiGraph, vessel: str = None) -> Optional[str]:
"""
在组态图中查找旋转蒸发仪设备
Args:
G: 设备图
vessel: 指定的设备名称（可选）
Returns:
str: 找到的旋转蒸发仪设备ID，如果没找到返回None
"""
debug_print("🔍 开始查找旋转蒸发仪设备... 🌪️")
# 如果指定了vessel，先检查是否存在且是旋转蒸发仪
if vessel:
debug_print(f"🎯 检查指定设备: {vessel} 🔧")
if vessel in G.nodes():
node_data = G.nodes[vessel]
node_class = node_data.get('class', '')
node_type = node_data.get('type', '')
debug_print(f"📋 设备信息 {vessel}: class={node_class}, type={node_type}")
# 检查是否为旋转蒸发仪
if any(keyword in str(node_class).lower() for keyword in ['rotavap', 'rotary', 'evaporat']):
debug_print(f"🎉 找到指定的旋转蒸发仪: {vessel} ✨")
debug_print(f"找到指定的旋转蒸发仪: {vessel}")
return vessel
elif node_type == 'device':
debug_print(f"✅ 指定设备存在，尝试直接使用: {vessel} 🔧")
debug_print(f"指定设备存在，尝试直接使用: {vessel}")
return vessel
else:
debug_print(f"❌ 指定的设备 {vessel} 不存在 😞")
# 在所有设备中查找旋转蒸发仪
debug_print("🔎 在所有设备中搜索旋转蒸发仪... 🕵️‍♀️")
rotavap_candidates = []
for node_id, node_data in G.nodes(data=True):
node_class = node_data.get('class', '')
node_type = node_data.get('type', '')
# 跳过非设备节点
if node_type != 'device':
continue
# 检查设备类型
if any(keyword in str(node_class).lower() for keyword in ['rotavap', 'rotary', 'evaporat']):
rotavap_candidates.append(node_id)
debug_print(f"🌟 找到旋转蒸发仪候选: {node_id} (class: {node_class}) 🌪️")
elif any(keyword in str(node_id).lower() for keyword in ['rotavap', 'rotary', 'evaporat']):
rotavap_candidates.append(node_id)
debug_print(f"🌟 找到旋转蒸发仪候选 (按名称): {node_id} 🌪️")
if rotavap_candidates:
selected = rotavap_candidates[0] # 选择第一个找到的
debug_print(f"🎯 选择旋转蒸发仪: {selected} 🏆")
selected = rotavap_candidates[0]
debug_print(f"选择旋转蒸发仪: {selected}")
return selected
debug_print("😭 未找到旋转蒸发仪设备 💔")
debug_print("未找到旋转蒸发仪设备")
return None
def find_connected_vessel(G: nx.DiGraph, rotavap_device: str) -> Optional[str]:
"""
查找与旋转蒸发仪连接的容器
Args:
G: 设备图
rotavap_device: 旋转蒸发仪设备ID
Returns:
str: 连接的容器ID，如果没找到返回None
"""
debug_print(f"🔗 查找与 {rotavap_device} 连接的容器... 🥽")
# 查看旋转蒸发仪的子设备
rotavap_data = G.nodes[rotavap_device]
children = rotavap_data.get('children', [])
debug_print(f"👶 检查子设备: {children}")
for child_id in children:
if child_id in G.nodes():
child_data = G.nodes[child_id]
child_type = child_data.get('type', '')
if child_type == 'container':
debug_print(f"🎉 找到连接的容器: {child_id} 🥽✨")
debug_print(f"找到连接的容器: {child_id}")
return child_id
# 查看邻接的容器
debug_print("🤝 检查邻接设备...")
for neighbor in G.neighbors(rotavap_device):
neighbor_data = G.nodes[neighbor]
neighbor_type = neighbor_data.get('type', '')
if neighbor_type == 'container':
debug_print(f"🎉 找到邻接的容器: {neighbor} 🥽✨")
debug_print(f"找到邻接的容器: {neighbor}")
return neighbor
debug_print("😞 未找到连接的容器 💔")
debug_print("未找到连接的容器")
return None
def generate_evaporate_protocol(
G: nx.DiGraph,
vessel: dict, # 🔧 修改：从字符串改为字典类型
vessel: dict,
pressure: float = 0.1,
temp: float = 60.0,
time: Union[str, float] = "180", # 🔧 修改：支持字符串时间
time: Union[str, float] = "180",
stir_speed: float = 100.0,
solvent: str = "",
**kwargs
) -> List[Dict[str, Any]]:
"""
生成蒸发操作的协议序列 - 支持单位和体积运算
Args:
G: 设备图
vessel: 容器字典（从XDL传入）
@@ -135,27 +106,16 @@ def generate_evaporate_protocol(
stir_speed: 旋转速度 (RPM)，默认100
solvent: 溶剂名称（用于参数优化）
**kwargs: 其他参数（兼容性）
Returns:
List[Dict[str, Any]]: 动作序列
"""
# 🔧 核心修改：从字典中提取容器ID
vessel_id, vessel_data = get_vessel(vessel)
debug_print("🌟" * 20)
debug_print("🌪️ 开始生成蒸发协议（支持单位和体积运算）✨")
debug_print(f"📝 输入参数:")
debug_print(f" 🥽 vessel: {vessel} (ID: {vessel_id})")
debug_print(f" 💨 pressure: {pressure} bar")
debug_print(f" 🌡️ temp: {temp}°C")
debug_print(f" ⏰ time: {time} (类型: {type(time)})")
debug_print(f" 🌪️ stir_speed: {stir_speed} RPM")
debug_print(f" 🧪 solvent: '{solvent}'")
debug_print("🌟" * 20)
# 🔧 新增：记录蒸发前的容器状态
debug_print("🔍 记录蒸发前容器状态...")
debug_print(f"开始生成蒸发协议: vessel={vessel_id}, pressure={pressure}, temp={temp}, time={time}")
# 记录蒸发前的容器状态
original_liquid_volume = 0.0
if "data" in vessel and "liquid_volume" in vessel["data"]:
current_volume = vessel["data"]["liquid_volume"]
@@ -163,168 +123,97 @@ def generate_evaporate_protocol(
original_liquid_volume = current_volume[0]
elif isinstance(current_volume, (int, float)):
original_liquid_volume = current_volume
debug_print(f"📊 蒸发前液体体积: {original_liquid_volume:.2f}mL")
# === 步骤1: 查找旋转蒸发仪设备 ===
debug_print("📍 步骤1: 查找旋转蒸发仪设备... 🔍")
# 验证vessel参数
if not vessel_id:
debug_print("❌ vessel 参数不能为空! 😱")
raise ValueError("vessel 参数不能为空")
# 查找旋转蒸发仪设备
if not vessel_id:
raise ValueError("vessel 参数不能为空")
rotavap_device = find_rotavap_device(G, vessel_id)
if not rotavap_device:
debug_print("💥 未找到旋转蒸发仪设备! 😭")
raise ValueError(f"未找到旋转蒸发仪设备。请检查组态图中是否包含 class 包含 'rotavap'、'rotary' 或 'evaporat' 的设备")
debug_print(f"🎉 成功找到旋转蒸发仪: {rotavap_device} ✨")
# === 步骤2: 确定目标容器 ===
debug_print("📍 步骤2: 确定目标容器... 🥽")
# 确定目标容器
target_vessel = vessel_id
# 如果vessel就是旋转蒸发仪设备，查找连接的容器
if vessel_id == rotavap_device:
debug_print("🔄 vessel就是旋转蒸发仪，查找连接的容器...")
connected_vessel = find_connected_vessel(G, rotavap_device)
if connected_vessel:
target_vessel = connected_vessel
debug_print(f"✅ 使用连接的容器: {target_vessel} 🥽✨")
else:
debug_print(f"⚠️ 未找到连接的容器，使用设备本身: {rotavap_device} 🔧")
target_vessel = rotavap_device
elif vessel_id in G.nodes() and G.nodes[vessel_id].get('type') == 'container':
debug_print(f"✅ 使用指定的容器: {vessel_id} 🥽✨")
target_vessel = vessel_id
else:
debug_print(f"⚠️ 容器 '{vessel_id}' 不存在或类型不正确，使用旋转蒸发仪设备: {rotavap_device} 🔧")
target_vessel = rotavap_device
# === 🔧 新增：步骤3：单位解析处理 ===
debug_print("📍 步骤3: 单位解析处理... ⚡")
# 解析时间
# 单位解析处理
final_time = parse_time_input(time)
debug_print(f"🎯 时间解析完成: {time} → {final_time}s ({final_time/60:.1f}分钟) ⏰✨")
# === 步骤4: 参数验证和修正 ===
debug_print("📍 步骤4: 参数验证和修正... 🔧")
# 修正参数范围
debug_print(f"时间解析: {time} -> {final_time}s ({final_time/60:.1f}分钟)")
# 参数验证和修正
if pressure <= 0 or pressure > 1.0:
debug_print(f"⚠️ 真空度 {pressure} bar 超出范围，修正为 0.1 bar 💨")
pressure = 0.1
else:
debug_print(f"✅ 真空度 {pressure} bar 在正常范围内 💨")
if temp < 10.0 or temp > 200.0:
debug_print(f"⚠️ 温度 {temp}°C 超出范围，修正为 60°C 🌡️")
temp = 60.0
else:
debug_print(f"✅ 温度 {temp}°C 在正常范围内 🌡️")
if final_time <= 0:
debug_print(f"⚠️ 时间 {final_time}s 无效，修正为 180s (3分钟) ⏰")
final_time = 180.0
else:
debug_print(f"✅ 时间 {final_time}s ({final_time/60:.1f}分钟) 有效 ⏰")
if stir_speed < 10.0 or stir_speed > 300.0:
debug_print(f"⚠️ 旋转速度 {stir_speed} RPM 超出范围，修正为 100 RPM 🌪️")
stir_speed = 100.0
else:
debug_print(f"✅ 旋转速度 {stir_speed} RPM 在正常范围内 🌪️")
# 根据溶剂优化参数
if solvent:
debug_print(f"🧪 根据溶剂 '{solvent}' 优化参数... 🔬")
solvent_lower = solvent.lower()
if any(s in solvent_lower for s in ['water', 'aqueous', 'h2o']):
temp = max(temp, 80.0)
pressure = max(pressure, 0.2)
debug_print("💧 水系溶剂：提高温度和真空度 🌡️💨")
elif any(s in solvent_lower for s in ['ethanol', 'methanol', 'acetone']):
temp = min(temp, 50.0)
pressure = min(pressure, 0.05)
debug_print("🍺 易挥发溶剂：降低温度和真空度 🌡️💨")
elif any(s in solvent_lower for s in ['dmso', 'dmi', 'toluene']):
temp = max(temp, 100.0)
pressure = min(pressure, 0.01)
debug_print("🔥 高沸点溶剂：提高温度，降低真空度 🌡️💨")
else:
debug_print("🧪 通用溶剂，使用标准参数 ✨")
else:
debug_print("🤷‍♀️ 未指定溶剂，使用默认参数 ✨")
debug_print(f"🎯 最终参数: pressure={pressure} bar 💨, temp={temp}°C 🌡️, time={final_time}s ⏰, stir_speed={stir_speed} RPM 🌪️")
# === 🔧 新增：步骤5：蒸发体积计算 ===
debug_print("📍 步骤5: 蒸发体积计算... 📊")
# 根据温度、真空度、时间和溶剂类型估算蒸发量
debug_print(f"最终参数: pressure={pressure}bar, temp={temp}°C, time={final_time}s, stir_speed={stir_speed}RPM")
# 蒸发体积计算
evaporation_volume = 0.0
if original_liquid_volume > 0:
# 基础蒸发速率（mL/min）
base_evap_rate = 0.5 # 基础速率
# 温度系数（高温蒸发更快）
base_evap_rate = 0.5
temp_factor = 1.0 + (temp - 25.0) / 100.0
# 真空系数（真空度越高蒸发越快）
vacuum_factor = 1.0 + (1.0 - pressure) * 2.0
# 溶剂系数
solvent_factor = 1.0
if solvent:
solvent_lower = solvent.lower()
if any(s in solvent_lower for s in ['water', 'h2o']):
solvent_factor = 0.8 # 水蒸发较慢
solvent_factor = 0.8
elif any(s in solvent_lower for s in ['ethanol', 'methanol', 'acetone']):
solvent_factor = 1.5 # 易挥发溶剂蒸发快
solvent_factor = 1.5
elif any(s in solvent_lower for s in ['dmso', 'dmi']):
solvent_factor = 0.3 # 高沸点溶剂蒸发慢
# 计算总蒸发量
solvent_factor = 0.3
total_evap_rate = base_evap_rate * temp_factor * vacuum_factor * solvent_factor
evaporation_volume = min(
original_liquid_volume * 0.95, # 最多蒸发95%
total_evap_rate * (final_time / 60.0) # 时间相关的蒸发量
original_liquid_volume * 0.95,
total_evap_rate * (final_time / 60.0)
)
debug_print(f"📊 蒸发量计算:")
debug_print(f" - 基础蒸发速率: {base_evap_rate} mL/min")
debug_print(f" - 温度系数: {temp_factor:.2f} (基于 {temp}°C)")
debug_print(f" - 真空系数: {vacuum_factor:.2f} (基于 {pressure} bar)")
debug_print(f" - 溶剂系数: {solvent_factor:.2f} ({solvent or '通用'})")
debug_print(f" - 总蒸发速率: {total_evap_rate:.2f} mL/min")
debug_print(f" - 预计蒸发量: {evaporation_volume:.2f}mL ({evaporation_volume/original_liquid_volume*100:.1f}%)")
# === 步骤6: 生成动作序列 ===
debug_print("📍 步骤6: 生成动作序列... 🎬")
debug_print(f"预计蒸发量: {evaporation_volume:.2f}mL ({evaporation_volume/original_liquid_volume*100:.1f}%)")
# 生成动作序列
action_sequence = []
# 1. 等待稳定
debug_print(" 🔄 动作1: 添加初始等待稳定... ⏳")
action_sequence.append({
"action_name": "wait",
"action_kwargs": {"time": 10}
})
debug_print(" ✅ 初始等待动作已添加 ⏳✨")
# 2. 执行蒸发
debug_print(f" 🌪️ 动作2: 执行蒸发操作...")
debug_print(f" 🔧 设备: {rotavap_device}")
debug_print(f" 🥽 容器: {target_vessel}")
debug_print(f" 💨 真空度: {pressure} bar")
debug_print(f" 🌡️ 温度: {temp}°C")
debug_print(f" ⏰ 时间: {final_time}s ({final_time/60:.1f}分钟)")
debug_print(f" 🌪️ 旋转速度: {stir_speed} RPM")
evaporate_action = {
"device_id": rotavap_device,
"action_name": "evaporate",
@@ -332,20 +221,17 @@ def generate_evaporate_protocol(
"vessel": {"id": target_vessel},
"pressure": float(pressure),
"temp": float(temp),
"time": float(final_time), # 🔧 强制转换为float类型
"time": float(final_time),
"stir_speed": float(stir_speed),
"solvent": str(solvent)
}
}
action_sequence.append(evaporate_action)
debug_print(" ✅ 蒸发动作已添加 🌪️✨")
# 🔧 新增：蒸发过程中的体积变化
debug_print(" 🔧 更新容器体积 - 蒸发过程...")
# 蒸发过程中的体积变化
if evaporation_volume > 0:
new_volume = max(0.0, original_liquid_volume - evaporation_volume)
# 更新vessel字典中的体积
if "data" in vessel and "liquid_volume" in vessel["data"]:
current_volume = vessel["data"]["liquid_volume"]
if isinstance(current_volume, list):
@@ -357,15 +243,14 @@ def generate_evaporate_protocol(
vessel["data"]["liquid_volume"] = new_volume
else:
vessel["data"]["liquid_volume"] = new_volume
# 🔧 同时更新图中的容器数据
if vessel_id in G.nodes():
if 'data' not in G.nodes[vessel_id]:
G.nodes[vessel_id]['data'] = {}
vessel_node_data = G.nodes[vessel_id]['data']
current_node_volume = vessel_node_data.get('liquid_volume', 0.0)
if isinstance(current_node_volume, list):
if len(current_node_volume) > 0:
G.nodes[vessel_id]['data']['liquid_volume'][0] = new_volume
@@ -373,18 +258,16 @@ def generate_evaporate_protocol(
G.nodes[vessel_id]['data']['liquid_volume'] = [new_volume]
else:
G.nodes[vessel_id]['data']['liquid_volume'] = new_volume
debug_print(f" 📊 蒸发体积变化: {original_liquid_volume:.2f}mL → {new_volume:.2f}mL (-{evaporation_volume:.2f}mL)")
debug_print(f"蒸发体积变化: {original_liquid_volume:.2f}mL -> {new_volume:.2f}mL (-{evaporation_volume:.2f}mL)")
# 3. 蒸发后等待
debug_print(" 🔄 动作3: 添加蒸发后等待... ⏳")
action_sequence.append({
"action_name": "wait",
"action_kwargs": {"time": 10}
})
debug_print(" ✅ 蒸发后等待动作已添加 ⏳✨")
# 🔧 新增：蒸发完成后的状态报告
# 最终状态
final_liquid_volume = 0.0
if "data" in vessel and "liquid_volume" in vessel["data"]:
current_volume = vessel["data"]["liquid_volume"]
@@ -392,19 +275,7 @@ def generate_evaporate_protocol(
final_liquid_volume = current_volume[0]
elif isinstance(current_volume, (int, float)):
final_liquid_volume = current_volume
# === 总结 ===
debug_print("🎊" * 20)
debug_print(f"🎉 蒸发协议生成完成! ✨")
debug_print(f"📊 总动作数: {len(action_sequence)} 个 📝")
debug_print(f"🌪️ 旋转蒸发仪: {rotavap_device} 🔧")
debug_print(f"🥽 目标容器: {target_vessel} 🧪")
debug_print(f"⚙️ 蒸发参数: {pressure} bar 💨, {temp}°C 🌡️, {final_time}s ⏰, {stir_speed} RPM 🌪️")
debug_print(f"⏱️ 预计总时间: {(final_time + 20)/60:.1f} 分钟 ⌛")
debug_print(f"📊 体积变化:")
debug_print(f" - 蒸发前: {original_liquid_volume:.2f}mL")
debug_print(f" - 蒸发后: {final_liquid_volume:.2f}mL")
debug_print(f" - 蒸发量: {evaporation_volume:.2f}mL ({evaporation_volume/max(original_liquid_volume, 0.01)*100:.1f}%)")
debug_print("🎊" * 20)
debug_print(f"蒸发协议生成完成: {len(action_sequence)} 个动作, 设备={rotavap_device}, 容器={target_vessel}")
return action_sequence