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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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265
unilabos/compile/clean_vessel_protocol.py
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@@ -1,7 +1,9 @@
from typing import List, Dict, Any
import networkx as nx
from .utils.vessel_parser import get_vessel, find_solvent_vessel
from .utils.vessel_parser import get_vessel, find_solvent_vessel, find_connected_heatchill
from .utils.logger_util import debug_print
from .pump_protocol import generate_pump_protocol
from .utils.resource_helper import get_resource_liquid_volume
def find_solvent_vessel_by_any_match(G: nx.DiGraph, solvent: str) -> str:
@@ -17,43 +19,23 @@ def find_waste_vessel(G: nx.DiGraph) -> str:
"""
possible_waste_names = [
"waste_workup",
"flask_waste",
"flask_waste",
"bottle_waste",
"waste",
"waste_vessel",
"waste_container"
]
for waste_name in possible_waste_names:
if waste_name in G.nodes():
return waste_name
raise ValueError(f"未找到废液容器。尝试了以下名称: {possible_waste_names}")
def find_connected_heatchill(G: nx.DiGraph, vessel: str) -> str:
"""
查找与指定容器相连的加热冷却设备
"""
# 查找所有加热冷却设备节点
heatchill_nodes = [node for node in G.nodes()
if (G.nodes[node].get('class') or '') == 'virtual_heatchill']
# 检查哪个加热设备与目标容器相连（机械连接）
for heatchill in heatchill_nodes:
if G.has_edge(heatchill, vessel) or G.has_edge(vessel, heatchill):
return heatchill
# 如果没有直接连接，返回第一个可用的加热设备
if heatchill_nodes:
return heatchill_nodes[0]
return None # 没有加热设备也可以工作，只是不能加热
def generate_clean_vessel_protocol(
G: nx.DiGraph,
vessel: dict, # 🔧 修改：从字符串改为字典类型
vessel: dict,
solvent: str,
volume: float,
temp: float,
@@ -61,7 +43,7 @@ def generate_clean_vessel_protocol(
) -> List[Dict[str, Any]]:
"""
生成容器清洗操作的协议序列，复用 pump_protocol 的成熟算法
清洗流程：
1. 查找溶剂容器和废液容器
2. 如果需要加热，启动加热设备
@@ -70,63 +52,50 @@ def generate_clean_vessel_protocol(
b. (可选) 等待清洗作用时间
c. 使用 pump_protocol 将清洗液从目标容器转移到废液容器
4. 如果加热了，停止加热
Args:
G: 有向图，节点为设备和容器，边为流体管道
vessel: 要清洗的容器字典（包含id字段）
solvent: 用于清洗的溶剂名称
solvent: 用于清洗的溶剂名称
volume: 每次清洗使用的溶剂体积
temp: 清洗时的温度
repeats: 清洗操作的重复次数，默认为 1
Returns:
List[Dict[str, Any]]: 容器清洗操作的动作序列
Raises:
ValueError: 当找不到必要的容器或设备时抛出异常
Examples:
clean_protocol = generate_clean_vessel_protocol(G, {"id": "main_reactor"}, "water", 100.0, 60.0, 2)
"""
# 🔧 核心修改：从字典中提取容器ID
vessel_id, vessel_data = get_vessel(vessel)
action_sequence = []
print(f"CLEAN_VESSEL: 开始生成容器清洗协议")
print(f" - 目标容器: {vessel} (ID: {vessel_id})")
print(f" - 清洗溶剂: {solvent}")
print(f" - 清洗体积: {volume} mL")
print(f" - 清洗温度: {temp}°C")
print(f" - 重复次数: {repeats}")
debug_print(f"开始生成容器清洗协议: vessel={vessel_id}, solvent={solvent}, volume={volume}mL, temp={temp}°C, repeats={repeats}")
# 验证目标容器存在
if vessel_id not in G.nodes():
raise ValueError(f"目标容器 '{vessel_id}' 不存在于系统中")
# 查找溶剂容器
try:
solvent_vessel = find_solvent_vessel(G, solvent)
print(f"CLEAN_VESSEL: 找到溶剂容器: {solvent_vessel}")
debug_print(f"找到溶剂容器: {solvent_vessel}")
except ValueError as e:
raise ValueError(f"无法找到溶剂容器: {str(e)}")
# 查找废液容器
try:
waste_vessel = find_waste_vessel(G)
print(f"CLEAN_VESSEL: 找到废液容器: {waste_vessel}")
debug_print(f"找到废液容器: {waste_vessel}")
except ValueError as e:
raise ValueError(f"无法找到废液容器: {str(e)}")
# 查找加热设备（可选）
heatchill_id = find_connected_heatchill(G, vessel_id) # 🔧 使用 vessel_id
heatchill_id = find_connected_heatchill(G, vessel_id)
if heatchill_id:
print(f"CLEAN_VESSEL: 找到加热设备: {heatchill_id}")
debug_print(f"找到加热设备: {heatchill_id}")
else:
print(f"CLEAN_VESSEL: 未找到加热设备，将在室温下清洗")
# 🔧 新增：记录清洗前的容器状态
print(f"CLEAN_VESSEL: 记录清洗前容器状态...")
debug_print(f"未找到加热设备，将在室温下清洗")
# 记录清洗前的容器状态
original_liquid_volume = 0.0
if "data" in vessel and "liquid_volume" in vessel["data"]:
current_volume = vessel["data"]["liquid_volume"]
@@ -134,79 +103,69 @@ def generate_clean_vessel_protocol(
original_liquid_volume = current_volume[0]
elif isinstance(current_volume, (int, float)):
original_liquid_volume = current_volume
print(f"CLEAN_VESSEL: 清洗前液体体积: {original_liquid_volume:.2f}mL")
# 第一步：如果需要加热且有加热设备，启动加热
if temp > 25.0 and heatchill_id:
print(f"CLEAN_VESSEL: 启动加热至 {temp}°C")
debug_print(f"启动加热至 {temp}°C")
heatchill_start_action = {
"device_id": heatchill_id,
"action_name": "heat_chill_start",
"action_kwargs": {
"vessel": {"id": vessel_id}, # 🔧 使用 vessel_id
"vessel": {"id": vessel_id},
"temp": temp,
"purpose": f"cleaning with {solvent}"
}
}
action_sequence.append(heatchill_start_action)
# 等待温度稳定
wait_action = {
"action_name": "wait",
"action_kwargs": {"time": 30} # 等待30秒让温度稳定
"action_name": "wait",
"action_kwargs": {"time": 30}
}
action_sequence.append(wait_action)
# 第二步：重复清洗操作
for repeat in range(repeats):
print(f"CLEAN_VESSEL: 执行第 {repeat + 1} 次清洗")
debug_print(f"执行第 {repeat + 1}/{repeats} 次清洗")
# 2a. 使用 pump_protocol 将溶剂转移到目标容器
print(f"CLEAN_VESSEL: 将 {volume} mL {solvent} 转移到 {vessel_id}")
try:
# 调用成熟的 pump_protocol 算法
add_solvent_actions = generate_pump_protocol(
G=G,
from_vessel=solvent_vessel,
to_vessel=vessel_id, # 🔧 使用 vessel_id
to_vessel=vessel_id,
volume=volume,
flowrate=2.5, # 适中的流速，避免飞溅
flowrate=2.5,
transfer_flowrate=2.5
)
action_sequence.extend(add_solvent_actions)
# 🔧 新增：更新容器体积（添加清洗溶剂）
print(f"CLEAN_VESSEL: 更新容器体积 - 添加清洗溶剂 {volume:.2f}mL")
# 更新容器体积（添加清洗溶剂）
if "data" not in vessel:
vessel["data"] = {}
if "liquid_volume" in vessel["data"]:
current_volume = vessel["data"]["liquid_volume"]
if isinstance(current_volume, list):
if len(current_volume) > 0:
vessel["data"]["liquid_volume"][0] += volume
print(f"CLEAN_VESSEL: 添加溶剂后体积: {vessel['data']['liquid_volume'][0]:.2f}mL (+{volume:.2f}mL)")
else:
vessel["data"]["liquid_volume"] = [volume]
print(f"CLEAN_VESSEL: 初始化清洗体积: {volume:.2f}mL")
elif isinstance(current_volume, (int, float)):
vessel["data"]["liquid_volume"] += volume
print(f"CLEAN_VESSEL: 添加溶剂后体积: {vessel['data']['liquid_volume']:.2f}mL (+{volume:.2f}mL)")
else:
vessel["data"]["liquid_volume"] = volume
print(f"CLEAN_VESSEL: 重置体积为: {volume:.2f}mL")
else:
vessel["data"]["liquid_volume"] = volume
print(f"CLEAN_VESSEL: 创建新体积记录: {volume:.2f}mL")
# 🔧 同时更新图中的容器数据
# 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] += volume
@@ -214,58 +173,48 @@ def generate_clean_vessel_protocol(
G.nodes[vessel_id]['data']['liquid_volume'] = [volume]
else:
G.nodes[vessel_id]['data']['liquid_volume'] = current_node_volume + volume
print(f"CLEAN_VESSEL: 图节点体积数据已更新")
except Exception as e:
raise ValueError(f"无法将溶剂转移到容器: {str(e)}")
# 2b. 等待清洗作用时间（让溶剂充分清洗容器）
cleaning_wait_time = 60 if temp > 50.0 else 30 # 高温下等待更久
print(f"CLEAN_VESSEL: 等待清洗作用 {cleaning_wait_time} 秒")
# 2b. 等待清洗作用时间
cleaning_wait_time = 60 if temp > 50.0 else 30
wait_action = {
"action_name": "wait",
"action_name": "wait",
"action_kwargs": {"time": cleaning_wait_time}
}
action_sequence.append(wait_action)
# 2c. 使用 pump_protocol 将清洗液转移到废液容器
print(f"CLEAN_VESSEL: 将清洗液从 {vessel_id} 转移到废液容器")
try:
# 调用成熟的 pump_protocol 算法
remove_waste_actions = generate_pump_protocol(
G=G,
from_vessel=vessel_id, # 🔧 使用 vessel_id
from_vessel=vessel_id,
to_vessel=waste_vessel,
volume=volume,
flowrate=2.5, # 适中的流速
flowrate=2.5,
transfer_flowrate=2.5
)
action_sequence.extend(remove_waste_actions)
# 🔧 新增：更新容器体积（移除清洗液）
print(f"CLEAN_VESSEL: 更新容器体积 - 移除清洗液 {volume:.2f}mL")
# 更新容器体积（移除清洗液）
if "data" in vessel and "liquid_volume" in vessel["data"]:
current_volume = vessel["data"]["liquid_volume"]
if isinstance(current_volume, list):
if len(current_volume) > 0:
vessel["data"]["liquid_volume"][0] = max(0.0, vessel["data"]["liquid_volume"][0] - volume)
print(f"CLEAN_VESSEL: 移除清洗液后体积: {vessel['data']['liquid_volume'][0]:.2f}mL (-{volume:.2f}mL)")
else:
vessel["data"]["liquid_volume"] = [0.0]
print(f"CLEAN_VESSEL: 重置体积为0mL")
elif isinstance(current_volume, (int, float)):
vessel["data"]["liquid_volume"] = max(0.0, current_volume - volume)
print(f"CLEAN_VESSEL: 移除清洗液后体积: {vessel['data']['liquid_volume']:.2f}mL (-{volume:.2f}mL)")
else:
vessel["data"]["liquid_volume"] = 0.0
print(f"CLEAN_VESSEL: 重置体积为0mL")
# 🔧 同时更新图中的容器数据
# 同时更新图中的容器数据
if vessel_id in G.nodes():
vessel_node_data = G.nodes[vessel_id].get('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] = max(0.0, current_node_volume[0] - volume)
@@ -273,34 +222,30 @@ def generate_clean_vessel_protocol(
G.nodes[vessel_id]['data']['liquid_volume'] = [0.0]
else:
G.nodes[vessel_id]['data']['liquid_volume'] = max(0.0, current_node_volume - volume)
print(f"CLEAN_VESSEL: 图节点体积数据已更新")
except Exception as e:
raise ValueError(f"无法将清洗液转移到废液容器: {str(e)}")
# 2d. 清洗循环间的短暂等待
if repeat < repeats - 1: # 不是最后一次清洗
print(f"CLEAN_VESSEL: 清洗循环间等待")
if repeat < repeats - 1:
wait_action = {
"action_name": "wait",
"action_name": "wait",
"action_kwargs": {"time": 10}
}
action_sequence.append(wait_action)
# 第三步：如果加热了，停止加热
if temp > 25.0 and heatchill_id:
print(f"CLEAN_VESSEL: 停止加热")
heatchill_stop_action = {
"device_id": heatchill_id,
"action_name": "heat_chill_stop",
"action_kwargs": {
"vessel": {"id": vessel_id}, # 🔧 使用 vessel_id
"vessel": {"id": vessel_id},
}
}
action_sequence.append(heatchill_stop_action)
# 🔧 新增：清洗完成后的状态报告
# 清洗完成后的状态
final_liquid_volume = 0.0
if "data" in vessel and "liquid_volume" in vessel["data"]:
current_volume = vessel["data"]["liquid_volume"]
@@ -308,20 +253,17 @@ def generate_clean_vessel_protocol(
final_liquid_volume = current_volume[0]
elif isinstance(current_volume, (int, float)):
final_liquid_volume = current_volume
print(f"CLEAN_VESSEL: 清洗完成")
print(f" - 清洗前体积: {original_liquid_volume:.2f}mL")
print(f" - 清洗后体积: {final_liquid_volume:.2f}mL")
print(f" - 生成了 {len(action_sequence)} 个动作")
debug_print(f"清洗完成: {len(action_sequence)} 个动作, 体积 {original_liquid_volume:.2f} -> {final_liquid_volume:.2f}mL")
return action_sequence
# 便捷函数：常用清洗方案
# 便捷函数
def generate_quick_clean_protocol(
G: nx.DiGraph,
vessel: dict, # 🔧 修改：从字符串改为字典类型
solvent: str = "water",
G: nx.DiGraph,
vessel: dict,
solvent: str = "water",
volume: float = 100.0
) -> List[Dict[str, Any]]:
"""快速清洗：室温，单次清洗"""
@@ -329,9 +271,9 @@ def generate_quick_clean_protocol(
def generate_thorough_clean_protocol(
G: nx.DiGraph,
vessel: dict, # 🔧 修改：从字符串改为字典类型
solvent: str = "water",
G: nx.DiGraph,
vessel: dict,
solvent: str = "water",
volume: float = 150.0,
temp: float = 60.0
) -> List[Dict[str, Any]]:
@@ -340,13 +282,13 @@ def generate_thorough_clean_protocol(
def generate_organic_clean_protocol(
G: nx.DiGraph,
vessel: dict, # 🔧 修改：从字符串改为字典类型
G: nx.DiGraph,
vessel: dict,
volume: float = 100.0
) -> List[Dict[str, Any]]:
"""有机清洗：先用有机溶剂，再用水清洗"""
action_sequence = []
# 第一步：有机溶剂清洗
try:
organic_actions = generate_clean_vessel_protocol(
@@ -354,96 +296,71 @@ def generate_organic_clean_protocol(
)
action_sequence.extend(organic_actions)
except ValueError:
# 如果没有丙酮，尝试乙醇
try:
organic_actions = generate_clean_vessel_protocol(
G, vessel, "ethanol", volume, 25.0, 2
)
action_sequence.extend(organic_actions)
except ValueError:
print("警告：未找到有机溶剂，跳过有机清洗步骤")
debug_print("未找到有机溶剂，跳过有机清洗步骤")
# 第二步：水清洗
water_actions = generate_clean_vessel_protocol(
G, vessel, "water", volume, 25.0, 2
)
action_sequence.extend(water_actions)
return action_sequence
def get_vessel_liquid_volume(G: nx.DiGraph, vessel: str) -> float:
"""获取容器中的液体体积（修复版）"""
if vessel not in G.nodes():
return 0.0
vessel_data = G.nodes[vessel].get('data', {})
liquids = vessel_data.get('liquid', [])
total_volume = 0.0
for liquid in liquids:
if isinstance(liquid, dict):
# 支持两种格式：新格式 (name, volume) 和旧格式 (liquid_type, liquid_volume)
volume = liquid.get('volume') or liquid.get('liquid_volume', 0.0)
total_volume += volume
return total_volume
def get_vessel_liquid_types(G: nx.DiGraph, vessel: str) -> List[str]:
"""获取容器中所有液体的类型"""
if vessel not in G.nodes():
return []
vessel_data = G.nodes[vessel].get('data', {})
liquids = vessel_data.get('liquid', [])
liquid_types = []
for liquid in liquids:
if isinstance(liquid, dict):
# 支持两种格式的液体类型字段
liquid_type = liquid.get('liquid_type') or liquid.get('name', '')
if liquid_type:
liquid_types.append(liquid_type)
return liquid_types
def find_vessel_by_content(G: nx.DiGraph, content: str) -> List[str]:
"""
根据内容物查找所有匹配的容器
返回匹配容器的ID列表
"""
matching_vessels = []
for node_id in G.nodes():
if G.nodes[node_id].get('type') == 'container':
# 检查容器名称匹配
node_name = G.nodes[node_id].get('name', '').lower()
if content.lower() in node_id.lower() or content.lower() in node_name:
matching_vessels.append(node_id)
continue
# 检查液体类型匹配
vessel_data = G.nodes[node_id].get('data', {})
liquids = vessel_data.get('liquid', [])
config_data = G.nodes[node_id].get('config', {})
# 检查 reagent_name 和 config.reagent
reagent_name = vessel_data.get('reagent_name', '').lower()
config_reagent = config_data.get('reagent', '').lower()
if (content.lower() == reagent_name or
if (content.lower() == reagent_name or
content.lower() == config_reagent):
matching_vessels.append(node_id)
continue
# 检查液体列表
for liquid in liquids:
if isinstance(liquid, dict):
liquid_type = liquid.get('liquid_type') or liquid.get('name', '')
if liquid_type.lower() == content.lower():
matching_vessels.append(node_id)
break
return matching_vessels
return matching_vessels