open_pub/Uni-Lab-OS
1
0
Fork 0
mirror of https://github.com/deepmodeling/Uni-Lab-OS synced 2026-03-26 17:53:10 +00:00
Code Issues Packages Projects Releases Wiki Activity

refactor: 14个协议编译器去重精简，删除死代码

Browse Source 
- 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
Download Patch File Download Diff File Expand all files Collapse all files

238
unilabos/compile/dry_protocol.py
View File

@@ -1,87 +1,40 @@
import networkx as nx
from typing import List, Dict, Any
from unilabos.compile.utils.vessel_parser import get_vessel
def find_connected_heater(G: nx.DiGraph, vessel: str) -> str:
"""
查找与容器相连的加热器
Args:
G: 网络图
vessel: 容器名称
Returns:
str: 加热器ID，如果没有则返回None
"""
print(f"DRY: 正在查找与容器 '{vessel}' 相连的加热器...")
# 查找所有加热器节点
heater_nodes = [node for node in G.nodes()
if ('heater' in node.lower() or
'heat' in node.lower() or
G.nodes[node].get('class') == 'virtual_heatchill' or
G.nodes[node].get('type') == 'heater')]
print(f"DRY: 找到的加热器节点: {heater_nodes}")
# 检查是否有加热器与目标容器相连
for heater in heater_nodes:
if G.has_edge(heater, vessel) or G.has_edge(vessel, heater):
print(f"DRY: 找到与容器 '{vessel}' 相连的加热器: {heater}")
return heater
# 如果没有直接连接，查找距离最近的加热器
for heater in heater_nodes:
try:
path = nx.shortest_path(G, source=heater, target=vessel)
if len(path) <= 3: # 最多2个中间节点
print(f"DRY: 找到距离较近的加热器: {heater}, 路径: {' → '.join(path)}")
return heater
except nx.NetworkXNoPath:
continue
print(f"DRY: 未找到与容器 '{vessel}' 相连的加热器")
return None
from .utils.vessel_parser import get_vessel, find_connected_heatchill
from .utils.logger_util import debug_print
def generate_dry_protocol(
G: nx.DiGraph,
vessel: dict, # 🔧 修改：从字符串改为字典类型
compound: str = "", # 🔧 修改：参数顺序调整，并设置默认值
**kwargs # 接收其他可能的参数但不使用
vessel: dict,
compound: str = "",
**kwargs
) -> List[Dict[str, Any]]:
"""
生成干燥协议序列
Args:
G: 有向图，节点为容器和设备
vessel: 目标容器字典（从XDL传入）
compound: 化合物名称（从XDL传入，可选）
**kwargs: 其他可选参数，但不使用
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)
action_sequence = []
# 默认参数
dry_temp = 60.0 # 默认干燥温度 60°C
dry_time = 3600.0 # 默认干燥时间 1小时（3600秒）
simulation_time = 60.0 # 模拟时间 1分钟
print(f"🌡️ DRY: 开始生成干燥协议 ✨")
print(f" 🥽 vessel: {vessel} (ID: {vessel_id})")
print(f" 🧪 化合物: {compound or '未指定'}")
print(f" 🔥 干燥温度: {dry_temp}°C")
print(f" ⏰ 干燥时间: {dry_time/60:.0f} 分钟")
# 🔧 新增：记录干燥前的容器状态
print(f"🔍 记录干燥前容器状态...")
dry_temp = 60.0
dry_time = 3600.0
simulation_time = 60.0
debug_print(f"开始生成干燥协议: vessel={vessel_id}, compound={compound or '未指定'}, temp={dry_temp}°C")
# 记录干燥前的容器状态
original_liquid_volume = 0.0
if "data" in vessel and "liquid_volume" in vessel["data"]:
current_volume = vessel["data"]["liquid_volume"]
@@ -89,39 +42,30 @@ def generate_dry_protocol(
original_liquid_volume = current_volume[0]
elif isinstance(current_volume, (int, float)):
original_liquid_volume = current_volume
print(f"📊 干燥前液体体积: {original_liquid_volume:.2f}mL")
# 1. 验证目标容器存在
print(f"\n📋 步骤1: 验证目标容器 '{vessel_id}' 是否存在...")
if vessel_id not in G.nodes():
print(f"⚠️ DRY: 警告 - 容器 '{vessel_id}' 不存在于系统中，跳过干燥 😢")
debug_print(f"容器 '{vessel_id}' 不存在于系统中，跳过干燥")
return action_sequence
print(f"✅ 容器 '{vessel_id}' 验证通过!")
# 2. 查找相连的加热器
print(f"\n🔍 步骤2: 查找与容器相连的加热器...")
heater_id = find_connected_heater(G, vessel_id) # 🔧 使用 vessel_id
heater_id = find_connected_heatchill(G, vessel_id)
if heater_id is None:
print(f"😭 DRY: 警告 - 未找到与容器 '{vessel_id}' 相连的加热器，跳过干燥")
print(f"🎭 添加模拟干燥动作...")
# 添加一个等待动作，表示干燥过程（模拟）
debug_print(f"未找到与容器 '{vessel_id}' 相连的加热器，添加模拟干燥动作")
action_sequence.append({
"action_name": "wait",
"action_kwargs": {
"time": 10.0, # 模拟等待时间
"time": 10.0,
"description": f"模拟干燥 {compound or '化合物'} (无加热器可用)"
}
})
# 🔧 新增：模拟干燥的体积变化（溶剂蒸发）
print(f"🔧 模拟干燥过程的体积减少...")
# 模拟干燥的体积变化
if original_liquid_volume > 0:
# 假设干燥过程中损失10%的体积（溶剂蒸发）
volume_loss = original_liquid_volume * 0.1
new_volume = max(0.0, original_liquid_volume - volume_loss)
# 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):
@@ -133,15 +77,14 @@ def generate_dry_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
@@ -149,33 +92,27 @@ def generate_dry_protocol(
G.nodes[vessel_id]['data']['liquid_volume'] = [new_volume]
else:
G.nodes[vessel_id]['data']['liquid_volume'] = new_volume
print(f"📊 模拟干燥体积变化: {original_liquid_volume:.2f}mL → {new_volume:.2f}mL (-{volume_loss:.2f}mL)")
print(f"📄 DRY: 协议生成完成，共 {len(action_sequence)} 个动作 🎯")
debug_print(f"模拟干燥体积变化: {original_liquid_volume:.2f}mL -> {new_volume:.2f}mL")
debug_print(f"协议生成完成，共 {len(action_sequence)} 个动作")
return action_sequence
print(f"🎉 找到加热器: {heater_id}!")
debug_print(f"找到加热器: {heater_id}")
# 3. 启动加热器进行干燥
print(f"\n🚀 步骤3: 开始执行干燥流程...")
print(f"🔥 启动加热器 {heater_id} 进行干燥")
# 3.1 启动加热
print(f" ⚡ 动作1: 启动加热到 {dry_temp}°C...")
action_sequence.append({
"device_id": heater_id,
"action_name": "heat_chill_start",
"action_kwargs": {
"vessel": {"id": vessel_id}, # 🔧 使用 vessel_id
"vessel": {"id": vessel_id},
"temp": dry_temp,
"purpose": f"干燥 {compound or '化合物'}"
}
})
print(f" ✅ 加热器启动命令已添加 🔥")
# 3.2 等待温度稳定
print(f" ⏳ 动作2: 等待温度稳定...")
action_sequence.append({
"action_name": "wait",
"action_kwargs": {
@@ -183,34 +120,27 @@ def generate_dry_protocol(
"description": f"等待温度稳定到 {dry_temp}°C"
}
})
print(f" ✅ 温度稳定等待命令已添加 🌡️")
# 3.3 保持干燥温度
print(f" 🔄 动作3: 保持干燥温度 {simulation_time/60:.0f} 分钟...")
action_sequence.append({
"device_id": heater_id,
"action_name": "heat_chill",
"action_kwargs": {
"vessel": {"id": vessel_id}, # 🔧 使用 vessel_id
"vessel": {"id": vessel_id},
"temp": dry_temp,
"time": simulation_time,
"purpose": f"干燥 {compound or '化合物'}，保持温度 {dry_temp}°C"
}
})
print(f" ✅ 温度保持命令已添加 🌡️⏰")
# 🔧 新增：干燥过程中的体积变化计算
print(f"🔧 计算干燥过程中的体积变化...")
# 干燥过程中的体积变化计算
if original_liquid_volume > 0:
# 干燥过程中，溶剂会蒸发，固体保留
# 根据温度和时间估算蒸发量
evaporation_rate = 0.001 * dry_temp # 每秒每°C蒸发0.001mL
total_evaporation = min(original_liquid_volume * 0.8,
evaporation_rate * simulation_time) # 最多蒸发80%
evaporation_rate = 0.001 * dry_temp
total_evaporation = min(original_liquid_volume * 0.8,
evaporation_rate * simulation_time)
new_volume = max(0.0, original_liquid_volume - total_evaporation)
# 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):
@@ -222,15 +152,14 @@ def generate_dry_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
@@ -238,37 +167,29 @@ def generate_dry_protocol(
G.nodes[vessel_id]['data']['liquid_volume'] = [new_volume]
else:
G.nodes[vessel_id]['data']['liquid_volume'] = new_volume
print(f"📊 干燥体积变化计算:")
print(f" - 初始体积: {original_liquid_volume:.2f}mL")
print(f" - 蒸发量: {total_evaporation:.2f}mL")
print(f" - 剩余体积: {new_volume:.2f}mL")
print(f" - 蒸发率: {(total_evaporation/original_liquid_volume*100):.1f}%")
debug_print(f"干燥体积变化: {original_liquid_volume:.2f}mL -> {new_volume:.2f}mL (-{total_evaporation:.2f}mL)")
# 3.4 停止加热
print(f" ⏹️ 动作4: 停止加热...")
action_sequence.append({
"device_id": heater_id,
"action_name": "heat_chill_stop",
"action_kwargs": {
"vessel": {"id": vessel_id}, # 🔧 使用 vessel_id
"vessel": {"id": vessel_id},
"purpose": f"干燥完成，停止加热"
}
})
print(f" ✅ 停止加热命令已添加 🛑")
# 3.5 等待冷却
print(f" ❄️ 动作5: 等待冷却...")
action_sequence.append({
"action_name": "wait",
"action_kwargs": {
"time": 10.0, # 等待10秒冷却
"time": 10.0,
"description": f"等待 {compound or '化合物'} 冷却"
}
})
print(f" ✅ 冷却等待命令已添加 🧊")
# 🔧 新增：干燥完成后的状态报告
# 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"]
@@ -276,60 +197,37 @@ def generate_dry_protocol(
final_liquid_volume = current_volume[0]
elif isinstance(current_volume, (int, float)):
final_liquid_volume = current_volume
print(f"\n🎊 DRY: 协议生成完成，共 {len(action_sequence)} 个动作 🎯")
print(f"⏱️ DRY: 预计总时间: {(simulation_time + 30)/60:.0f} 分钟 ⌛")
print(f"📊 干燥结果:")
print(f" - 容器: {vessel_id}")
print(f" - 化合物: {compound or '未指定'}")
print(f" - 干燥前体积: {original_liquid_volume:.2f}mL")
print(f" - 干燥后体积: {final_liquid_volume:.2f}mL")
print(f" - 蒸发体积: {(original_liquid_volume - final_liquid_volume):.2f}mL")
print(f"🏁 所有动作序列准备就绪! ✨")
debug_print(f"干燥协议生成完成: {len(action_sequence)} 个动作, 体积 {original_liquid_volume:.2f} -> {final_liquid_volume:.2f}mL")
return action_sequence
# 🔧 新增：便捷函数
def generate_quick_dry_protocol(G: nx.DiGraph, vessel: dict, compound: str = "",
# 便捷函数
def generate_quick_dry_protocol(G: nx.DiGraph, vessel: dict, compound: str = "",
temp: float = 40.0, time: float = 30.0) -> List[Dict[str, Any]]:
"""快速干燥：低温短时间"""
vessel_id = vessel["id"]
print(f"🌡️ 快速干燥: {compound or '化合物'} → {vessel_id} @ {temp}°C ({time}min)")
# 临时修改默认参数
import types
temp_func = types.FunctionType(
generate_dry_protocol.__code__,
generate_dry_protocol.__globals__
)
# 直接调用原函数，但修改内部参数
return generate_dry_protocol(G, vessel, compound)
def generate_thorough_dry_protocol(G: nx.DiGraph, vessel: dict, compound: str = "",
def generate_thorough_dry_protocol(G: nx.DiGraph, vessel: dict, compound: str = "",
temp: float = 80.0, time: float = 120.0) -> List[Dict[str, Any]]:
"""深度干燥：高温长时间"""
vessel_id = vessel["id"]
print(f"🔥 深度干燥: {compound or '化合物'} → {vessel_id} @ {temp}°C ({time}min)")
return generate_dry_protocol(G, vessel, compound)
def generate_gentle_dry_protocol(G: nx.DiGraph, vessel: dict, compound: str = "",
def generate_gentle_dry_protocol(G: nx.DiGraph, vessel: dict, compound: str = "",
temp: float = 30.0, time: float = 180.0) -> List[Dict[str, Any]]:
"""温和干燥：低温长时间"""
vessel_id = vessel["id"]
print(f"🌡️ 温和干燥: {compound or '化合物'} → {vessel_id} @ {temp}°C ({time}min)")
return generate_dry_protocol(G, vessel, compound)
# 测试函数
def test_dry_protocol():
"""测试干燥协议"""
print("=== DRY PROTOCOL 测试 ===")
print("测试完成")
debug_print("=== DRY PROTOCOL 测试 ===")
debug_print("测试完成")
if __name__ == "__main__":
test_dry_protocol()
test_dry_protocol()