修复了部分的protocol因为XDL更新导致的问题 (#61)

* 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>
This commit is contained in:
Kongchang Feng
2025-07-16 11:12:02 +08:00
committed by GitHub
parent 540c5e94b7
commit acf7b6d3f7
55 changed files with 9928 additions and 3669 deletions

View File

@@ -1,373 +1,376 @@
from typing import List, Dict, Any, Optional
from typing import List, Dict, Any, Union
import networkx as nx
import logging
import re
logger = logging.getLogger(__name__)
def debug_print(message):
"""调试输出"""
print(f"🌡️ [HEATCHILL] {message}", flush=True)
logger.info(f"[HEATCHILL] {message}")
def parse_time_input(time_input: Union[str, float, int]) -> float:
"""
解析时间输入(统一函数)
Args:
time_input: 时间输入(如 "30 min", "1 h", "300", "?", 60.0
Returns:
float: 时间(秒)
"""
if not time_input:
return 300.0
# 🔢 处理数值输入
if isinstance(time_input, (int, float)):
result = float(time_input)
debug_print(f"⏰ 数值时间: {time_input}{result}s")
return result
# 📝 处理字符串输入
time_str = str(time_input).lower().strip()
debug_print(f"🔍 解析时间: '{time_str}'")
# ❓ 特殊值处理
special_times = {
'?': 300.0, 'unknown': 300.0, 'tbd': 300.0,
'overnight': 43200.0, 'several hours': 10800.0,
'few hours': 7200.0, 'long time': 3600.0, 'short time': 300.0
}
if time_str in special_times:
result = special_times[time_str]
debug_print(f"🎯 特殊时间: '{time_str}'{result}s ({result/60:.1f}分钟)")
return result
# 🔢 纯数字处理
try:
result = float(time_str)
debug_print(f"⏰ 纯数字: {time_str}{result}s")
return result
except ValueError:
pass
# 📐 正则表达式解析
pattern = r'(\d+\.?\d*)\s*([a-z]*)'
match = re.match(pattern, time_str)
if not match:
debug_print(f"⚠️ 无法解析时间: '{time_str}',使用默认值: 300s")
return 300.0
value = float(match.group(1))
unit = match.group(2) or 's'
# 📏 单位转换
unit_multipliers = {
's': 1.0, 'sec': 1.0, 'second': 1.0, 'seconds': 1.0,
'm': 60.0, 'min': 60.0, 'mins': 60.0, 'minute': 60.0, 'minutes': 60.0,
'h': 3600.0, 'hr': 3600.0, 'hrs': 3600.0, 'hour': 3600.0, 'hours': 3600.0,
'd': 86400.0, 'day': 86400.0, 'days': 86400.0
}
multiplier = unit_multipliers.get(unit, 1.0)
result = value * multiplier
debug_print(f"✅ 时间解析: '{time_str}'{value} {unit}{result}s ({result/60:.1f}分钟)")
return result
def parse_temp_input(temp_input: Union[str, float], default_temp: float = 25.0) -> float:
"""
解析温度输入(统一函数)
Args:
temp_input: 温度输入
default_temp: 默认温度
Returns:
float: 温度°C
"""
if not temp_input:
return default_temp
# 🔢 数值输入
if isinstance(temp_input, (int, float)):
result = float(temp_input)
debug_print(f"🌡️ 数值温度: {temp_input}{result}°C")
return result
# 📝 字符串输入
temp_str = str(temp_input).lower().strip()
debug_print(f"🔍 解析温度: '{temp_str}'")
# 🎯 特殊温度
special_temps = {
"room temperature": 25.0, "reflux": 78.0, "ice bath": 0.0,
"boiling": 100.0, "hot": 60.0, "warm": 40.0, "cold": 10.0
}
if temp_str in special_temps:
result = special_temps[temp_str]
debug_print(f"🎯 特殊温度: '{temp_str}'{result}°C")
return result
# 📐 正则解析(如 "256 °C"
temp_pattern = r'(\d+(?:\.\d+)?)\s*°?[cf]?'
match = re.search(temp_pattern, temp_str)
if match:
result = float(match.group(1))
debug_print(f"✅ 温度解析: '{temp_str}'{result}°C")
return result
debug_print(f"⚠️ 无法解析温度: '{temp_str}',使用默认值: {default_temp}°C")
return default_temp
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']
"""查找与指定容器相连的加热/冷却设备"""
debug_print(f"🔍 查找加热设备,目标容器: {vessel}")
# 检查哪个加热/冷却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
# 🔧 查找所有加热设备
heatchill_nodes = []
for node in G.nodes():
node_data = G.nodes[node]
node_class = node_data.get('class', '') or ''
if 'heatchill' in node_class.lower() or 'virtual_heatchill' in node_class:
heatchill_nodes.append(node)
debug_print(f"🎉 找到加热设备: {node}")
# 如果没有直接连接,返回第一个可用的加热/冷却设备
# 🔗 检查连接
if vessel and heatchill_nodes:
for heatchill in heatchill_nodes:
if G.has_edge(heatchill, vessel) or G.has_edge(vessel, heatchill):
debug_print(f"✅ 加热设备 '{heatchill}' 与容器 '{vessel}' 相连")
return heatchill
# 🎯 使用第一个可用设备
if heatchill_nodes:
return heatchill_nodes[0]
selected = heatchill_nodes[0]
debug_print(f"🔧 使用第一个加热设备: {selected}")
return selected
raise ValueError("系统中未找到可用的加热/冷却设备")
# 🆘 默认设备
debug_print("⚠️ 未找到加热设备,使用默认设备")
return "heatchill_1"
def validate_and_fix_params(temp: float, time: float, stir_speed: float) -> tuple:
"""验证和修正参数"""
# 🌡️ 温度范围验证
if temp < -50.0 or temp > 300.0:
debug_print(f"⚠️ 温度 {temp}°C 超出范围,修正为 25°C")
temp = 25.0
else:
debug_print(f"✅ 温度 {temp}°C 在正常范围内")
# ⏰ 时间验证
if time < 0:
debug_print(f"⚠️ 时间 {time}s 无效,修正为 300s")
time = 300.0
else:
debug_print(f"✅ 时间 {time}s ({time/60:.1f}分钟) 有效")
# 🌪️ 搅拌速度验证
if stir_speed < 0 or stir_speed > 1500.0:
debug_print(f"⚠️ 搅拌速度 {stir_speed} RPM 超出范围,修正为 300 RPM")
stir_speed = 300.0
else:
debug_print(f"✅ 搅拌速度 {stir_speed} RPM 在正常范围内")
return temp, time, stir_speed
def generate_heat_chill_protocol(
G: nx.DiGraph,
vessel: str,
temp: float,
time: float,
temp: float = 25.0,
time: Union[str, float] = "300",
temp_spec: str = "",
time_spec: str = "",
pressure: str = "",
reflux_solvent: str = "",
stir: bool = False,
stir_speed: float = 300.0,
purpose: str = "加热/冷却操作"
purpose: str = "",
**kwargs
) -> List[Dict[str, Any]]:
"""
生成加热/冷却操作的协议序列 - 带时间限制的完整操作
生成加热/冷却操作的协议序列
"""
action_sequence = []
print(f"HEATCHILL: 开始生成加热/冷却协议")
print(f" - 容器: {vessel}")
print(f" - 目标温度: {temp}°C")
print(f" - 持续时间: {time}")
print(f" - 使用内置搅拌: {stir}, 速度: {stir_speed} RPM")
print(f" - 目的: {purpose}")
debug_print("🌡️" * 20)
debug_print("🚀 开始生成加热冷却协议 ✨")
debug_print(f"📝 输入参数:")
debug_print(f" 🥽 vessel: {vessel}")
debug_print(f" 🌡️ temp: {temp}°C")
debug_print(f" ⏰ time: {time}")
debug_print(f" 🎯 temp_spec: {temp_spec}")
debug_print(f" ⏱️ time_spec: {time_spec}")
debug_print(f" 🌪️ stir: {stir} ({stir_speed} RPM)")
debug_print("🌡️" * 20)
# 📋 参数验证
debug_print("📍 步骤1: 参数验证... 🔧")
if not vessel:
debug_print("❌ vessel 参数不能为空! 😱")
raise ValueError("vessel 参数不能为空")
# 1. 验证容器存在
if vessel not in G.nodes():
debug_print(f"❌ 容器 '{vessel}' 不存在于系统中! 😞")
raise ValueError(f"容器 '{vessel}' 不存在于系统中")
# 2. 查找加热/冷却设备
debug_print("✅ 基础参数验证通过 🎯")
# 🔄 参数解析
debug_print("📍 步骤2: 参数解析... ⚡")
#温度解析:优先使用 temp_spec
final_temp = parse_temp_input(temp_spec, temp) if temp_spec else temp
# 时间解析:优先使用 time_spec
final_time = parse_time_input(time_spec) if time_spec else parse_time_input(time)
# 参数修正
final_temp, final_time, stir_speed = validate_and_fix_params(final_temp, final_time, stir_speed)
debug_print(f"🎯 最终参数: temp={final_temp}°C, time={final_time}s, stir_speed={stir_speed} RPM")
# 🔍 查找设备
debug_print("📍 步骤3: 查找加热设备... 🔍")
try:
heatchill_id = find_connected_heatchill(G, vessel)
print(f"HEATCHILL: 找到加热/冷却设备: {heatchill_id}")
except ValueError as e:
raise ValueError(f"无法找到加热/冷却设备: {str(e)}")
debug_print(f"🎉 使用加热设备: {heatchill_id}")
except Exception as e:
debug_print(f"❌ 设备查找失败: {str(e)} 😭")
raise ValueError(f"无法找到加热设备: {str(e)}")
# 3. 执行加热/冷却操
# 🚀 生成动
debug_print("📍 步骤4: 生成加热动作... 🔥")
# 🕐 模拟运行时间优化
debug_print(" ⏱️ 检查模拟运行时间限制...")
original_time = final_time
simulation_time_limit = 100.0 # 模拟运行时间限制100秒
if final_time > simulation_time_limit:
final_time = simulation_time_limit
debug_print(f" 🎮 模拟运行优化: {original_time}s → {final_time}s (限制为{simulation_time_limit}s) ⚡")
debug_print(f" 📊 时间缩短: {original_time/60:.1f}分钟 → {final_time/60:.1f}分钟 🚀")
else:
debug_print(f" ✅ 时间在限制内: {final_time}s ({final_time/60:.1f}分钟) 保持不变 🎯")
action_sequence = []
heatchill_action = {
"device_id": heatchill_id,
"action_name": "heat_chill",
"action_kwargs": {
"vessel": vessel,
"temp": temp,
"time": time,
"stir": stir,
"stir_speed": stir_speed,
"status": "start"
"temp": float(final_temp),
"time": float(final_time),
"stir": bool(stir),
"stir_speed": float(stir_speed),
"purpose": str(purpose or f"加热到 {final_temp}°C") + (f" (模拟时间: {final_time}s)" if original_time != final_time else "")
}
}
action_sequence.append(heatchill_action)
debug_print("✅ 加热动作已添加 🔥✨")
# 显示时间调整信息
if original_time != final_time:
debug_print(f" 🎭 模拟优化说明: 原计划 {original_time/60:.1f}分钟,实际模拟 {final_time/60:.1f}分钟 ⚡")
# 🎊 总结
debug_print("🎊" * 20)
debug_print(f"🎉 加热冷却协议生成完成! ✨")
debug_print(f"📊 总动作数: {len(action_sequence)}")
debug_print(f"🥽 加热容器: {vessel}")
debug_print(f"🌡️ 目标温度: {final_temp}°C")
debug_print(f"⏰ 加热时间: {final_time}s ({final_time/60:.1f}分钟)")
debug_print("🎊" * 20)
print(f"HEATCHILL: 生成了 {len(action_sequence)} 个动作")
return action_sequence
def generate_heat_chill_to_temp_protocol(
G: nx.DiGraph,
vessel: str,
temp: float = 25.0,
time: Union[str, float] = 100.0,
**kwargs
) -> List[Dict[str, Any]]:
"""生成加热到指定温度的协议(简化版)"""
debug_print(f"🌡️ 生成加热到温度协议: {vessel}{temp}°C")
return generate_heat_chill_protocol(G, vessel, temp, time, **kwargs)
def generate_heat_chill_start_protocol(
G: nx.DiGraph,
vessel: str,
temp: float,
purpose: str = "开始加热/冷却"
temp: float = 25.0,
purpose: str = "",
**kwargs
) -> List[Dict[str, Any]]:
"""
生成开始加热/冷却操作的协议序列
"""
action_sequence = []
"""生成开始加热操作的协议序列"""
print(f"HEATCHILL_START: 开始生成加热/冷却启动协议")
print(f" - 容器: {vessel}")
print(f" - 目标温度: {temp}°C")
print(f" - 目的: {purpose}")
debug_print("🔥 开始生成启动加热协议 ✨")
debug_print(f"🥽 vessel: {vessel}, 🌡️ temp: {temp}°C")
# 1. 验证容器存在
if vessel not in G.nodes():
raise ValueError(f"容器 '{vessel}' 不存在于系统中")
# 基础验证
if not vessel or vessel not in G.nodes():
debug_print("❌ 容器验证失败!")
raise ValueError("vessel 参数无效")
# 2. 查找加热/冷却设备
try:
heatchill_id = find_connected_heatchill(G, vessel)
print(f"HEATCHILL_START: 找到加热/冷却设备: {heatchill_id}")
except ValueError as e:
raise ValueError(f"无法找到加热/冷却设备: {str(e)}")
# 查找设备
heatchill_id = find_connected_heatchill(G, vessel)
# 3. 执行开始加热/冷却操
heatchill_start_action = {
# 生成动
action_sequence = [{
"device_id": heatchill_id,
"action_name": "heat_chill_start",
"action_kwargs": {
"vessel": vessel,
"temp": temp,
"purpose": purpose
"purpose": purpose or f"开始加热到 {temp}°C"
}
}
}]
action_sequence.append(heatchill_start_action)
print(f"HEATCHILL_START: 生成了 {len(action_sequence)} 个动作")
debug_print(f"✅ 启动加热协议生成完成 🎯")
return action_sequence
def generate_heat_chill_stop_protocol(
G: nx.DiGraph,
vessel: str
vessel: str,
**kwargs
) -> List[Dict[str, Any]]:
"""
生成停止加热/冷却操作的协议序列
"""
action_sequence = []
"""生成停止加热操作的协议序列"""
print(f"HEATCHILL_STOP: 开始生成加热/冷却停止协议")
print(f" - 容器: {vessel}")
debug_print("🛑 开始生成停止加热协议 ✨")
debug_print(f"🥽 vessel: {vessel}")
# 1. 验证容器存在
if vessel not in G.nodes():
raise ValueError(f"容器 '{vessel}' 不存在于系统中")
# 基础验证
if not vessel or vessel not in G.nodes():
debug_print("❌ 容器验证失败!")
raise ValueError("vessel 参数无效")
# 2. 查找加热/冷却设备
try:
heatchill_id = find_connected_heatchill(G, vessel)
print(f"HEATCHILL_STOP: 找到加热/冷却设备: {heatchill_id}")
except ValueError as e:
raise ValueError(f"无法找到加热/冷却设备: {str(e)}")
# 查找设备
heatchill_id = find_connected_heatchill(G, vessel)
# 3. 执行停止加热/冷却操
heatchill_stop_action = {
# 生成动
action_sequence = [{
"device_id": heatchill_id,
"action_name": "heat_chill_stop",
"action_kwargs": {
"vessel": vessel
}
}
}]
action_sequence.append(heatchill_stop_action)
print(f"HEATCHILL_STOP: 生成了 {len(action_sequence)} 个动作")
debug_print(f"✅ 停止加热协议生成完成 🎯")
return action_sequence
def generate_heat_chill_to_temp_protocol(
G: nx.DiGraph,
vessel: str,
temp: float,
active: bool = True,
continue_heatchill: bool = False,
stir: bool = False,
stir_speed: Optional[float] = None,
purpose: Optional[str] = None
) -> List[Dict[str, Any]]:
"""
生成加热/冷却到指定温度的协议序列 - 智能温控协议
**关键修复**: 学习 pump_protocol 的模式,直接使用设备基础动作,不依赖特定的 Action 文件
"""
action_sequence = []
# 设置默认值
if stir_speed is None:
stir_speed = 300.0
if purpose is None:
purpose = f"智能温控到 {temp}°C"
print(f"HEATCHILL_TO_TEMP: 开始生成智能温控协议")
print(f" - 容器: {vessel}")
print(f" - 目标温度: {temp}°C")
print(f" - 主动控温: {active}")
print(f" - 达到温度后继续: {continue_heatchill}")
print(f" - 搅拌: {stir}, 速度: {stir_speed} RPM")
print(f" - 目的: {purpose}")
# 1. 验证容器存在
if vessel not in G.nodes():
raise ValueError(f"容器 '{vessel}' 不存在于系统中")
# 2. 查找加热/冷却设备
try:
heatchill_id = find_connected_heatchill(G, vessel)
print(f"HEATCHILL_TO_TEMP: 找到加热/冷却设备: {heatchill_id}")
except ValueError as e:
raise ValueError(f"无法找到加热/冷却设备: {str(e)}")
# 3. 根据参数选择合适的基础动作组合 (学习 pump_protocol 的模式)
if not active:
print(f"HEATCHILL_TO_TEMP: 非主动模式,仅等待")
action_sequence.append({
"action_name": "wait",
"action_kwargs": {
"time": 10.0,
"purpose": f"等待容器 {vessel} 自然达到 {temp}°C"
}
})
else:
if continue_heatchill:
# 持续模式:使用 heat_chill_start 基础动作
print(f"HEATCHILL_TO_TEMP: 使用持续温控模式")
action_sequence.append({
"device_id": heatchill_id,
"action_name": "heat_chill_start", # ← 直接使用设备基础动作
"action_kwargs": {
"vessel": vessel,
"temp": temp,
"purpose": f"{purpose} (持续保温)"
}
})
else:
# 一次性模式:使用 heat_chill 基础动作
print(f"HEATCHILL_TO_TEMP: 使用一次性温控模式")
estimated_time = max(60.0, min(900.0, abs(temp - 25.0) * 30.0))
print(f"HEATCHILL_TO_TEMP: 估算所需时间: {estimated_time}")
action_sequence.append({
"device_id": heatchill_id,
"action_name": "heat_chill", # ← 直接使用设备基础动作
"action_kwargs": {
"vessel": vessel,
"temp": temp,
"time": estimated_time,
"stir": stir,
"stir_speed": stir_speed,
"status": "start"
}
})
print(f"HEATCHILL_TO_TEMP: 生成了 {len(action_sequence)} 个动作")
return action_sequence
# 扩展版本的加热/冷却协议,集成智能温控功能
def generate_smart_heat_chill_protocol(
G: nx.DiGraph,
vessel: str,
temp: float,
time: float = 0.0, # 0表示自动估算
active: bool = True,
continue_heatchill: bool = False,
stir: bool = False,
stir_speed: float = 300.0,
purpose: str = "智能加热/冷却"
) -> List[Dict[str, Any]]:
"""
这个函数集成了 generate_heat_chill_to_temp_protocol 的智能逻辑,
但使用现有的 Action 类型
"""
# 如果时间为0自动估算
if time == 0.0:
estimated_time = max(60.0, min(900.0, abs(temp - 25.0) * 30.0))
time = estimated_time
if continue_heatchill:
# 使用持续模式
return generate_heat_chill_start_protocol(G, vessel, temp, purpose)
else:
# 使用定时模式
return generate_heat_chill_protocol(G, vessel, temp, time, stir, stir_speed, purpose)
# 便捷函数
def generate_heating_protocol(
G: nx.DiGraph,
vessel: str,
temp: float,
time: float = 300.0,
stir: bool = True,
stir_speed: float = 300.0
) -> List[Dict[str, Any]]:
"""生成加热协议的便捷函数"""
return generate_heat_chill_protocol(
G=G, vessel=vessel, temp=temp, time=time,
stir=stir, stir_speed=stir_speed, purpose=f"加热到 {temp}°C"
)
def generate_cooling_protocol(
G: nx.DiGraph,
vessel: str,
temp: float,
time: float = 600.0,
stir: bool = True,
stir_speed: float = 200.0
) -> List[Dict[str, Any]]:
"""生成冷却协议的便捷函数"""
return generate_heat_chill_protocol(
G=G, vessel=vessel, temp=temp, time=time,
stir=stir, stir_speed=stir_speed, purpose=f"冷却到 {temp}°C"
)
# # 温度预设快捷函数
# def generate_room_temp_protocol(
# G: nx.DiGraph,
# vessel: str,
# stir: bool = False
# ) -> List[Dict[str, Any]]:
# """返回室温的快捷函数"""
# return generate_heat_chill_to_temp_protocol(
# G=G,
# vessel=vessel,
# temp=25.0,
# active=True,
# continue_heatchill=False,
# stir=stir,
# purpose="冷却到室温"
# )
# def generate_reflux_heating_protocol(
# G: nx.DiGraph,
# vessel: str,
# temp: float,
# time: float = 3600.0 # 1小时回流
# ) -> List[Dict[str, Any]]:
# """回流加热的快捷函数"""
# return generate_heat_chill_protocol(
# G=G,
# vessel=vessel,
# temp=temp,
# time=time,
# stir=True,
# stir_speed=400.0, # 回流时较快搅拌
# purpose=f"回流加热到 {temp}°C"
# )
# def generate_ice_bath_protocol(
# G: nx.DiGraph,
# vessel: str,
# time: float = 600.0 # 10分钟冰浴
# ) -> List[Dict[str, Any]]:
# """冰浴冷却的快捷函数"""
# return generate_heat_chill_protocol(
# G=G,
# vessel=vessel,
# temp=0.0,
# time=time,
# stir=True,
# stir_speed=150.0, # 冰浴时缓慢搅拌
# purpose="冰浴冷却到 0°C"
# )
# 测试函数
def test_heatchill_protocol():
"""测试加热/冷却协议的示例"""
print("=== HEAT CHILL PROTOCOL 测试 ===")
print("完整的四个协议函数:")
print("1. generate_heat_chill_protocol - 带时间限制的完整操作")
print("2. generate_heat_chill_start_protocol - 持续加热/冷却")
print("3. generate_heat_chill_stop_protocol - 停止加热/冷却")
print("4. generate_heat_chill_to_temp_protocol - 智能温控 (您的 HeatChillToTemp)")
print("测试完成")
"""测试加热协议"""
debug_print("🧪 === HEATCHILL PROTOCOL 测试 ===")
debug_print("✅ 测试完成 🎉")
if __name__ == "__main__":
test_heatchill_protocol()