mirror of
https://github.com/dptech-corp/Uni-Lab-OS.git
synced 2026-02-05 14:05:12 +00:00
acf7b6d3f7
* 修复了部分的protocol因为XDL更新导致的问题 但是pumptransfer，add，dissolve，separate还没修，后续还需要写virtual固体加料器 * 补充了四个action * 添加了固体加样器，丰富了json，修改了add protocol * bump version to 0.9.9 * fix bugs from new actions * protocol完整修复版本& bump version to 0.9.10 * 修补了一些单位处理，bump version to 0.9.11 * 优化了全protocol的运行时间，除了pumptransfer相关的还没 * 补充了剩下的几个protocol --------- Co-authored-by: Junhan Chang <changjh@dp.tech> Co-authored-by: Xuwznln <18435084+Xuwznln@users.noreply.github.com>
367 lines
14 KiB
Python
367 lines
14 KiB
Python
from typing import List, Dict, Any, Optional, Union
|
||
import networkx as nx
|
||
import logging
|
||
import re
|
||
|
||
logger = logging.getLogger(__name__)
|
||
|
||
def debug_print(message):
|
||
"""调试输出"""
|
||
print(f"🧪 [EVAPORATE] {message}", flush=True)
|
||
logger.info(f"[EVAPORATE] {message}")
|
||
|
||
def parse_time_input(time_input: Union[str, float]) -> float:
|
||
"""
|
||
解析时间输入，支持带单位的字符串
|
||
|
||
Args:
|
||
time_input: 时间输入（如 "3 min", "180", "0.5 h" 等）
|
||
|
||
Returns:
|
||
float: 时间（秒）
|
||
"""
|
||
if isinstance(time_input, (int, float)):
|
||
debug_print(f"⏱️ 时间输入为数字: {time_input}s ✨")
|
||
return float(time_input)
|
||
|
||
if not time_input or not str(time_input).strip():
|
||
debug_print(f"⚠️ 时间输入为空，使用默认值: 180s (3分钟) 🕐")
|
||
return 180.0 # 默认3分钟
|
||
|
||
time_str = str(time_input).lower().strip()
|
||
debug_print(f"🔍 解析时间输入: '{time_str}' 📝")
|
||
|
||
# 处理未知时间
|
||
if time_str in ['?', 'unknown', 'tbd']:
|
||
default_time = 180.0 # 默认3分钟
|
||
debug_print(f"❓ 检测到未知时间，使用默认值: {default_time}s (3分钟) 🤷♀️")
|
||
return default_time
|
||
|
||
# 移除空格并提取数字和单位
|
||
time_clean = re.sub(r'\s+', '', time_str)
|
||
|
||
# 匹配数字和单位的正则表达式
|
||
match = re.match(r'([0-9]*\.?[0-9]+)\s*(s|sec|second|min|minute|h|hr|hour|d|day)?', time_clean)
|
||
|
||
if not match:
|
||
# 如果无法解析，尝试直接转换为数字（默认秒）
|
||
try:
|
||
value = float(time_str)
|
||
debug_print(f"✅ 时间解析成功: {time_str} → {value}s（无单位，默认秒）⏰")
|
||
return value
|
||
except ValueError:
|
||
debug_print(f"❌ 无法解析时间: '{time_str}'，使用默认值180s (3分钟) 😅")
|
||
return 180.0
|
||
|
||
value = float(match.group(1))
|
||
unit = match.group(2) or 's' # 默认单位为秒
|
||
|
||
# 转换为秒
|
||
if unit in ['min', 'minute']:
|
||
time_sec = value * 60.0 # min -> s
|
||
debug_print(f"🕐 时间转换: {value} 分钟 → {time_sec}s ⏰")
|
||
elif unit in ['h', 'hr', 'hour']:
|
||
time_sec = value * 3600.0 # h -> s
|
||
debug_print(f"🕐 时间转换: {value} 小时 → {time_sec}s ({time_sec/60:.1f}分钟) ⏰")
|
||
elif unit in ['d', 'day']:
|
||
time_sec = value * 86400.0 # d -> s
|
||
debug_print(f"🕐 时间转换: {value} 天 → {time_sec}s ({time_sec/3600:.1f}小时) ⏰")
|
||
else: # s, sec, second 或默认
|
||
time_sec = value # 已经是s
|
||
debug_print(f"🕐 时间转换: {value}s → {time_sec}s (已是秒) ⏰")
|
||
|
||
return time_sec
|
||
|
||
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} ✨")
|
||
return vessel
|
||
elif node_type == 'device':
|
||
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} 🏆")
|
||
return selected
|
||
|
||
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} 🥽✨")
|
||
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} 🥽✨")
|
||
return neighbor
|
||
|
||
debug_print("😞 未找到连接的容器 💔")
|
||
return None
|
||
|
||
def generate_evaporate_protocol(
|
||
G: nx.DiGraph,
|
||
vessel: str,
|
||
pressure: float = 0.1,
|
||
temp: float = 60.0,
|
||
time: Union[str, float] = "180", # 🔧 修改：支持字符串时间
|
||
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
|
||
|
||
Args:
|
||
G: 设备图
|
||
vessel: 容器名称或旋转蒸发仪名称
|
||
pressure: 真空度 (bar)，默认0.1
|
||
temp: 加热温度 (°C)，默认60
|
||
time: 蒸发时间（支持 "3 min", "180", "0.5 h" 等）
|
||
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
|
||
"""
|
||
|
||
debug_print("🌟" * 20)
|
||
debug_print("🌪️ 开始生成蒸发协议（支持单位）✨")
|
||
debug_print(f"📝 输入参数:")
|
||
debug_print(f" 🥽 vessel: {vessel}")
|
||
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)
|
||
|
||
# === 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:
|
||
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
|
||
rotavap_device = find_rotavap_device(G, vessel)
|
||
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... 🥽")
|
||
|
||
target_vessel = vessel
|
||
|
||
# 如果vessel就是旋转蒸发仪设备，查找连接的容器
|
||
if vessel == 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 in G.nodes() and G.nodes[vessel].get('type') == 'container':
|
||
debug_print(f"✅ 使用指定的容器: {vessel} 🥽✨")
|
||
target_vessel = vessel
|
||
else:
|
||
debug_print(f"⚠️ 容器 '{vessel}' 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
|
||
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
|
||
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 🌪️")
|
||
|
||
# === 步骤5: 生成动作序列 ===
|
||
debug_print("📍 步骤5: 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",
|
||
"action_kwargs": {
|
||
"vessel": target_vessel,
|
||
"pressure": pressure,
|
||
"temp": temp,
|
||
"time": final_time,
|
||
"stir_speed": stir_speed,
|
||
"solvent": solvent
|
||
}
|
||
}
|
||
action_sequence.append(evaporate_action)
|
||
debug_print(" ✅ 蒸发动作已添加 🌪️✨")
|
||
|
||
# 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 ⏳✨")
|
||
|
||
# === 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("🎊" * 20)
|
||
|
||
return action_sequence
|