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action to resource & 0.9.12

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KCFeng425
2025-07-17 04:10:15 +08:00
parent f90be18926
commit 6b7564b9f9
53 changed files with 2526 additions and 761 deletions
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unilabos/compile/dissolve_protocol.py
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@@ -408,7 +408,7 @@ def find_solid_dispenser(G: nx.DiGraph) -> str:
def generate_dissolve_protocol(
G: nx.DiGraph,
vessel: str,
vessel: dict, # 🔧 修改：从字符串改为字典类型
# 🔧 修复：按照checklist.md的DissolveProtocol参数
solvent: str = "",
volume: Union[str, float] = 0.0,
@@ -427,10 +427,11 @@ def generate_dissolve_protocol(
生成溶解操作的协议序列 - 增强版
🔧 修复要点：
1. 添加action文件中的所有参数（mass, mol, reagent, event）
2. 使用 **kwargs 接受所有额外参数，防止 unexpected keyword argument 错误
3. 支持固体溶解和液体溶解两种模式
4. 添加详细的emoji日志系统
1. 修改vessel参数类型为dict，并提取vessel_id
2. 添加action文件中的所有参数（mass, mol, reagent, event）
3. 使用 **kwargs 接受所有额外参数，防止 unexpected keyword argument 错误
4. 支持固体溶解和液体溶解两种模式
5. 添加详细的体积运算逻辑
支持两种溶解模式：
1. 液体溶解：指定 solvent + volume，使用pump protocol转移溶剂
@@ -444,10 +445,13 @@ def generate_dissolve_protocol(
- mol: "0.12 mol", "16.2 mmol"
"""
# 🔧 核心修改：从字典中提取容器ID
vessel_id = vessel["id"]
debug_print("=" * 60)
debug_print("🧪 开始生成溶解协议")
debug_print(f"📋 原始参数:")
debug_print(f" 🥼 vessel: '{vessel}'")
debug_print(f" 🥼 vessel: {vessel} (ID: {vessel_id})")
debug_print(f" 💧 solvent: '{solvent}'")
debug_print(f" 📏 volume: {volume} (类型: {type(volume)})")
debug_print(f" ⚖️ mass: {mass} (类型: {type(mass)})")
@@ -463,19 +467,30 @@ def generate_dissolve_protocol(
# === 参数验证 ===
debug_print("🔍 步骤1: 参数验证...")
action_sequence.append(create_action_log(f"开始溶解操作 - 容器: {vessel}", "🎬"))
action_sequence.append(create_action_log(f"开始溶解操作 - 容器: {vessel_id}", "🎬"))
if not vessel:
if not vessel_id:
debug_print("❌ vessel 参数不能为空")
raise ValueError("vessel 参数不能为空")
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")
if vessel_id not in G.nodes():
debug_print(f"❌ 容器 '{vessel_id}' 不存在于系统中")
raise ValueError(f"容器 '{vessel_id}' 不存在于系统中")
debug_print("✅ 基本参数验证通过")
action_sequence.append(create_action_log("参数验证通过", "✅"))
# 🔧 新增：记录溶解前的容器状态
debug_print("🔍 记录溶解前容器状态...")
original_liquid_volume = 0.0
if "data" in vessel and "liquid_volume" in vessel["data"]:
current_volume = vessel["data"]["liquid_volume"]
if isinstance(current_volume, list) and len(current_volume) > 0:
original_liquid_volume = current_volume[0]
elif isinstance(current_volume, (int, float)):
original_liquid_volume = current_volume
debug_print(f"📊 溶解前液体体积: {original_liquid_volume:.2f}mL")
# === 🔧 关键修复：参数解析 ===
debug_print("🔍 步骤2: 参数解析...")
action_sequence.append(create_action_log("正在解析溶解参数...", "🔍"))
@@ -522,8 +537,8 @@ def generate_dissolve_protocol(
action_sequence.append(create_action_log("正在查找相关设备...", "🔍"))
# 查找加热搅拌器
heatchill_id = find_connected_heatchill(G, vessel)
stirrer_id = find_connected_stirrer(G, vessel)
heatchill_id = find_connected_heatchill(G, vessel_id)
stirrer_id = find_connected_stirrer(G, vessel_id)
# 优先使用加热搅拌器，否则使用独立搅拌器
stir_device_id = heatchill_id or stirrer_id
@@ -557,7 +572,7 @@ def generate_dissolve_protocol(
"device_id": heatchill_id,
"action_name": "heat_chill_start",
"action_kwargs": {
"vessel": vessel,
"vessel": vessel_id,
"temp": final_temp,
"purpose": f"溶解准备 - {event}" if event else "溶解准备"
}
@@ -581,7 +596,7 @@ def generate_dissolve_protocol(
"device_id": stirrer_id,
"action_name": "start_stir",
"action_kwargs": {
"vessel": vessel,
"vessel": vessel_id,
"stir_speed": stir_speed,
"purpose": f"溶解搅拌 - {event}" if event else "溶解搅拌"
}
@@ -606,7 +621,7 @@ def generate_dissolve_protocol(
# 固体加样
add_kwargs = {
"vessel": vessel,
"vessel": vessel_id,
"reagent": reagent or amount or "solid reagent",
"purpose": f"溶解固体试剂 - {event}" if event else "溶解固体试剂",
"event": event
@@ -628,6 +643,12 @@ def generate_dissolve_protocol(
debug_print(f"✅ 固体加样完成")
action_sequence.append(create_action_log("固体加样完成", "✅"))
# 🔧 新增：固体溶解体积运算 - 固体本身不会显著增加体积，但可能有少量变化
debug_print(f"🔧 固体溶解 - 体积变化很小，主要是质量变化")
# 固体通常不会显著改变液体体积，这里只记录日志
action_sequence.append(create_action_log(f"固体已添加: {final_mass}g", "📊"))
else:
debug_print("⚠️ 未找到固体加样器，跳过固体添加")
action_sequence.append(create_action_log("未找到固体加样器，无法添加固体", "❌"))
@@ -659,7 +680,7 @@ def generate_dissolve_protocol(
pump_actions = generate_pump_protocol_with_rinsing(
G=G,
from_vessel=solvent_vessel,
to_vessel=vessel,
to_vessel=vessel_id,
volume=final_volume,
amount=amount,
time=0.0, # 不在pump level控制时间
@@ -679,6 +700,52 @@ def generate_dissolve_protocol(
debug_print(f"✅ 溶剂转移完成，添加了 {len(pump_actions)} 个动作")
action_sequence.append(create_action_log(f"溶剂转移完成 ({len(pump_actions)} 个操作)", "✅"))
# 🔧 新增：液体溶解体积运算 - 添加溶剂后更新容器体积
debug_print(f"🔧 更新容器液体体积 - 添加溶剂 {final_volume:.2f}mL")
# 确保vessel有data字段
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] += final_volume
debug_print(f"📊 添加溶剂后体积: {vessel['data']['liquid_volume'][0]:.2f}mL (+{final_volume:.2f}mL)")
else:
vessel["data"]["liquid_volume"] = [final_volume]
debug_print(f"📊 初始化溶解体积: {final_volume:.2f}mL")
elif isinstance(current_volume, (int, float)):
vessel["data"]["liquid_volume"] += final_volume
debug_print(f"📊 添加溶剂后体积: {vessel['data']['liquid_volume']:.2f}mL (+{final_volume:.2f}mL)")
else:
vessel["data"]["liquid_volume"] = final_volume
debug_print(f"📊 重置体积为: {final_volume:.2f}mL")
else:
vessel["data"]["liquid_volume"] = final_volume
debug_print(f"📊 创建新体积记录: {final_volume:.2f}mL")
# 🔧 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] += final_volume
else:
G.nodes[vessel_id]['data']['liquid_volume'] = [final_volume]
else:
G.nodes[vessel_id]['data']['liquid_volume'] = current_node_volume + final_volume
debug_print(f"✅ 图节点体积数据已更新")
action_sequence.append(create_action_log(f"容器体积已更新 (+{final_volume:.2f}mL)", "📊"))
# 溶剂添加后等待
action_sequence.append(create_action_log("溶剂添加后短暂等待...", "⏳"))
action_sequence.append({
@@ -700,7 +767,7 @@ def generate_dissolve_protocol(
"device_id": heatchill_id,
"action_name": "heat_chill",
"action_kwargs": {
"vessel": vessel,
"vessel": vessel_id,
"temp": final_temp,
"time": final_time,
"stir": True,
@@ -718,7 +785,7 @@ def generate_dissolve_protocol(
"device_id": stirrer_id,
"action_name": "stir",
"action_kwargs": {
"vessel": vessel,
"vessel": vessel_id,
"stir_time": final_time,
"stir_speed": stir_speed,
"settling_time": 0,
@@ -744,7 +811,7 @@ def generate_dissolve_protocol(
"device_id": heatchill_id,
"action_name": "heat_chill_stop",
"action_kwargs": {
"vessel": vessel
"vessel": vessel_id
}
}
action_sequence.append(stop_action)
@@ -761,12 +828,21 @@ def generate_dissolve_protocol(
}
})
# 🔧 新增：溶解完成后的状态报告
final_liquid_volume = 0.0
if "data" in vessel and "liquid_volume" in vessel["data"]:
current_volume = vessel["data"]["liquid_volume"]
if isinstance(current_volume, list) and len(current_volume) > 0:
final_liquid_volume = current_volume[0]
elif isinstance(current_volume, (int, float)):
final_liquid_volume = current_volume
# === 最终结果 ===
debug_print("=" * 60)
debug_print(f"🎉 溶解协议生成完成")
debug_print(f"📊 协议统计:")
debug_print(f" 📋 总动作数: {len(action_sequence)}")
debug_print(f" 🥼 容器: {vessel}")
debug_print(f" 🥼 容器: {vessel_id}")
debug_print(f" {dissolve_emoji} 溶解类型: {dissolve_type}")
if is_liquid_dissolve:
debug_print(f" 💧 溶剂: {solvent} ({final_volume}mL)")
@@ -776,10 +852,12 @@ def generate_dissolve_protocol(
debug_print(f" 🧬 摩尔: {mol}")
debug_print(f" 🌡️ 温度: {final_temp}°C")
debug_print(f" ⏱️ 时间: {final_time}s")
debug_print(f" 📊 溶解前体积: {original_liquid_volume:.2f}mL")
debug_print(f" 📊 溶解后体积: {final_liquid_volume:.2f}mL")
debug_print("=" * 60)
# 添加完成日志
summary_msg = f"溶解协议完成: {vessel}"
summary_msg = f"溶解协议完成: {vessel_id}"
if is_liquid_dissolve:
summary_msg += f" (使用 {final_volume}mL {solvent})"
if is_solid_dissolve:
@@ -789,12 +867,15 @@ def generate_dissolve_protocol(
return action_sequence
# === 便捷函数 ===
def dissolve_solid_by_mass(G: nx.DiGraph, vessel: str, reagent: str, mass: Union[str, float],
# === 便捷函数 ===
# 🔧 修改便捷函数的参数类型
def dissolve_solid_by_mass(G: nx.DiGraph, vessel: dict, reagent: str, mass: Union[str, float],
temp: Union[str, float] = 25.0, time: Union[str, float] = "10 min") -> List[Dict[str, Any]]:
"""按质量溶解固体"""
debug_print(f"🧂 快速固体溶解: {reagent} ({mass}) → {vessel}")
vessel_id = vessel["id"]
debug_print(f"🧂 快速固体溶解: {reagent} ({mass}) → {vessel_id}")
return generate_dissolve_protocol(
G, vessel,
mass=mass,
@@ -803,10 +884,11 @@ def dissolve_solid_by_mass(G: nx.DiGraph, vessel: str, reagent: str, mass: Union
time=time
)
def dissolve_solid_by_moles(G: nx.DiGraph, vessel: str, reagent: str, mol: str,
def dissolve_solid_by_moles(G: nx.DiGraph, vessel: dict, reagent: str, mol: str,
temp: Union[str, float] = 25.0, time: Union[str, float] = "10 min") -> List[Dict[str, Any]]:
"""按摩尔数溶解固体"""
debug_print(f"🧬 按摩尔数溶解固体: {reagent} ({mol}) → {vessel}")
vessel_id = vessel["id"]
debug_print(f"🧬 按摩尔数溶解固体: {reagent} ({mol}) → {vessel_id}")
return generate_dissolve_protocol(
G, vessel,
mol=mol,
@@ -815,10 +897,11 @@ def dissolve_solid_by_moles(G: nx.DiGraph, vessel: str, reagent: str, mol: str,
time=time
)
def dissolve_with_solvent(G: nx.DiGraph, vessel: str, solvent: str, volume: Union[str, float],
def dissolve_with_solvent(G: nx.DiGraph, vessel: dict, solvent: str, volume: Union[str, float],
temp: Union[str, float] = 25.0, time: Union[str, float] = "5 min") -> List[Dict[str, Any]]:
"""用溶剂溶解"""
debug_print(f"💧 溶剂溶解: {solvent} ({volume}) → {vessel}")
vessel_id = vessel["id"]
debug_print(f"💧 溶剂溶解: {solvent} ({volume}) → {vessel_id}")
return generate_dissolve_protocol(
G, vessel,
solvent=solvent,
@@ -827,9 +910,10 @@ def dissolve_with_solvent(G: nx.DiGraph, vessel: str, solvent: str, volume: Unio
time=time
)
def dissolve_at_room_temp(G: nx.DiGraph, vessel: str, solvent: str, volume: Union[str, float]) -> List[Dict[str, Any]]:
def dissolve_at_room_temp(G: nx.DiGraph, vessel: dict, solvent: str, volume: Union[str, float]) -> List[Dict[str, Any]]:
"""室温溶解"""
debug_print(f"🌡️ 室温溶解: {solvent} ({volume}) → {vessel}")
vessel_id = vessel["id"]
debug_print(f"🌡️ 室温溶解: {solvent} ({volume}) → {vessel_id}")
return generate_dissolve_protocol(
G, vessel,
solvent=solvent,
@@ -838,10 +922,11 @@ def dissolve_at_room_temp(G: nx.DiGraph, vessel: str, solvent: str, volume: Unio
time="5 min"
)
def dissolve_with_heating(G: nx.DiGraph, vessel: str, solvent: str, volume: Union[str, float],
def dissolve_with_heating(G: nx.DiGraph, vessel: dict, solvent: str, volume: Union[str, float],
temp: Union[str, float] = "60 °C", time: Union[str, float] = "15 min") -> List[Dict[str, Any]]:
"""加热溶解"""
debug_print(f"🔥 加热溶解: {solvent} ({volume}) → {vessel} @ {temp}")
vessel_id = vessel["id"]
debug_print(f"🔥 加热溶解: {solvent} ({volume}) → {vessel_id} @ {temp}")
return generate_dissolve_protocol(
G, vessel,
solvent=solvent,