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https://github.com/deepmodeling/Uni-Lab-OS
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refactor: 深度精简4个协议编译器的装饰性日志 (-335行)
dissolve, pump, stir, adjustph: 移除emoji分隔线、步骤播报、 逐字段参数dump等纯装饰性log,保留错误/警告/关键决策日志。 Co-Authored-By: Claude Opus 4.6 <noreply@anthropic.com>
This commit is contained in:
@@ -56,24 +56,17 @@ def generate_dissolve_protocol(
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# 从字典中提取容器ID
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vessel_id, vessel_data = get_vessel(vessel)
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debug_print(f"开始生成溶解协议: vessel={vessel_id}, solvent='{solvent}', "
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f"volume={volume}, mass={mass}, temp={temp}, time={time}, "
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f"reagent='{reagent}', mol='{mol}', event='{event}'")
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debug_print(f"溶解协议: vessel={vessel_id}, solvent='{solvent}', volume={volume}, "
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f"mass={mass}, temp={temp}, time={time}")
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action_sequence = []
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# === 参数验证 ===
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action_sequence.append(create_action_log(f"开始溶解操作 - 容器: {vessel_id}", "🎬"))
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if not vessel_id:
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debug_print("❌ vessel 参数不能为空")
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raise ValueError("vessel 参数不能为空")
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if vessel_id not in G.nodes():
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raise ValueError(f"容器 '{vessel_id}' 不存在于系统中")
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action_sequence.append(create_action_log("参数验证通过", "✅"))
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# 记录溶解前的容器状态
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original_liquid_volume = 0.0
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if "data" in vessel and "liquid_volume" in vessel["data"]:
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@@ -84,19 +77,14 @@ def generate_dissolve_protocol(
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original_liquid_volume = current_volume
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# === 参数解析 ===
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action_sequence.append(create_action_log("正在解析溶解参数...", "🔍"))
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# 解析各种参数为数值
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final_volume = parse_volume_input(volume)
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final_mass = parse_mass_input(mass)
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final_temp = parse_temperature_input(temp)
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final_time = parse_time_input(time)
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debug_print(f"解析结果: volume={final_volume}mL, mass={final_mass}g, "
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f"temp={final_temp}°C, time={final_time}s")
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debug_print(f"参数解析: vol={final_volume}mL, mass={final_mass}g, temp={final_temp}°C, time={final_time}s")
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# === 判断溶解类型 ===
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action_sequence.append(create_action_log("正在判断溶解类型...", "🔍"))
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# 判断是固体溶解还是液体溶解
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is_solid_dissolve = (final_mass > 0 or (mol and mol.strip() != "") or (reagent and reagent.strip() != ""))
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@@ -108,41 +96,31 @@ def generate_dissolve_protocol(
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final_volume = 50.0
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if not solvent:
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solvent = "water" # 默认溶剂
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debug_print("⚠️ 未明确指定溶解参数,默认为50mL水溶解")
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debug_print("未明确指定溶解参数,默认为50mL水溶解")
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dissolve_type = "固体溶解" if is_solid_dissolve else "液体溶解"
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dissolve_emoji = "🧂" if is_solid_dissolve else "💧"
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debug_print(f"溶解类型: {dissolve_type}")
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action_sequence.append(create_action_log(f"确定溶解类型: {dissolve_type} {dissolve_emoji}", "📋"))
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action_sequence.append(create_action_log(f"溶解类型: {dissolve_type}", "📋"))
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# === 查找设备 ===
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action_sequence.append(create_action_log("正在查找相关设备...", "🔍"))
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# 查找加热搅拌器
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heatchill_id = find_connected_heatchill(G, vessel_id)
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stirrer_id = find_connected_stirrer(G, vessel_id)
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# 优先使用加热搅拌器,否则使用独立搅拌器
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stir_device_id = heatchill_id or stirrer_id
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debug_print(f"设备映射: heatchill='{heatchill_id}', stirrer='{stirrer_id}', 使用='{stir_device_id}'")
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if heatchill_id:
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action_sequence.append(create_action_log(f"找到加热搅拌器: {heatchill_id}", "🔥"))
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elif stirrer_id:
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action_sequence.append(create_action_log(f"找到搅拌器: {stirrer_id}", "🌪️"))
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else:
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debug_print(f"设备: heatchill='{heatchill_id}', stirrer='{stirrer_id}'")
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if not stir_device_id:
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action_sequence.append(create_action_log("未找到搅拌设备,将跳过搅拌", "⚠️"))
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# === 执行溶解流程 ===
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try:
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# 步骤5.1: 启动加热搅拌(如果需要)
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# 启动加热搅拌(如果需要)
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if stir_device_id and (final_temp > 25.0 or final_time > 0 or stir_speed > 0):
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action_sequence.append(create_action_log(f"准备加热搅拌 (目标温度: {final_temp}°C)", "🔥"))
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if heatchill_id and (final_temp > 25.0 or final_time > 0):
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# 使用加热搅拌器
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action_sequence.append(create_action_log(f"启动加热搅拌器 {heatchill_id}", "🔥"))
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heatchill_action = {
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"device_id": heatchill_id,
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@@ -158,7 +136,6 @@ def generate_dissolve_protocol(
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# 等待温度稳定
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if final_temp > 25.0:
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wait_time = min(60, abs(final_temp - 25.0) * 1.5)
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action_sequence.append(create_action_log(f"等待温度稳定 ({wait_time:.0f}秒)", "⏳"))
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action_sequence.append({
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"action_name": "wait",
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"action_kwargs": {"time": wait_time}
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@@ -166,7 +143,6 @@ def generate_dissolve_protocol(
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elif stirrer_id:
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# 使用独立搅拌器
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action_sequence.append(create_action_log(f"启动搅拌器 {stirrer_id} (速度: {stir_speed}rpm)", "🌪️"))
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stir_action = {
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"device_id": stirrer_id,
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@@ -178,9 +154,8 @@ def generate_dissolve_protocol(
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}
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}
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action_sequence.append(stir_action)
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# 等待搅拌稳定
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action_sequence.append(create_action_log("等待搅拌稳定...", "⏳"))
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action_sequence.append({
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"action_name": "wait",
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"action_kwargs": {"time": 5}
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@@ -188,11 +163,8 @@ def generate_dissolve_protocol(
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if is_solid_dissolve:
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# === 固体溶解路径 ===
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action_sequence.append(create_action_log("开始固体溶解流程", "🧂"))
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solid_dispenser = find_solid_dispenser(G)
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if solid_dispenser:
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action_sequence.append(create_action_log(f"找到固体加样器: {solid_dispenser}", "🥄"))
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# 固体加样
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add_kwargs = {
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@@ -204,38 +176,27 @@ def generate_dissolve_protocol(
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if final_mass > 0:
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add_kwargs["mass"] = str(final_mass)
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action_sequence.append(create_action_log(f"准备添加固体: {final_mass}g", "⚖️"))
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if mol and mol.strip():
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add_kwargs["mol"] = mol
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action_sequence.append(create_action_log(f"按摩尔数添加: {mol}", "🧬"))
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action_sequence.append(create_action_log("开始固体加样操作", "🥄"))
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action_sequence.append({
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"device_id": solid_dispenser,
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"action_name": "add_solid",
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"action_kwargs": add_kwargs
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})
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action_sequence.append(create_action_log("固体加样完成", "✅"))
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# 固体溶解体积运算 - 固体本身不会显著增加体积
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action_sequence.append(create_action_log(f"固体已添加: {final_mass}g", "📊"))
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else:
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debug_print("⚠️ 未找到固体加样器,跳过固体添加")
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debug_print("未找到固体加样器,跳过固体添加")
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action_sequence.append(create_action_log("未找到固体加样器,无法添加固体", "❌"))
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elif is_liquid_dissolve:
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# === 液体溶解路径 ===
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action_sequence.append(create_action_log("开始液体溶解流程", "💧"))
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# 查找溶剂容器
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action_sequence.append(create_action_log("正在查找溶剂容器...", "🔍"))
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try:
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solvent_vessel = find_solvent_vessel(G, solvent)
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action_sequence.append(create_action_log(f"找到溶剂容器: {solvent_vessel}", "🧪"))
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except ValueError as e:
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debug_print(f"⚠️ {str(e)},跳过溶剂添加")
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debug_print(f"溶剂容器查找失败: {str(e)},跳过溶剂添加")
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action_sequence.append(create_action_log(f"溶剂容器查找失败: {str(e)}", "❌"))
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solvent_vessel = None
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@@ -243,10 +204,7 @@ def generate_dissolve_protocol(
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# 计算流速 - 溶解时通常用较慢的速度,避免飞溅
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flowrate = 1.0 # 较慢的注入速度
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transfer_flowrate = 0.5 # 较慢的转移速度
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action_sequence.append(create_action_log(f"设置流速: {flowrate}mL/min (缓慢注入)", "⚡"))
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action_sequence.append(create_action_log(f"开始转移 {final_volume}mL {solvent}", "🚰"))
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# 调用pump protocol
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pump_actions = generate_pump_protocol_with_rinsing(
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G=G,
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@@ -268,10 +226,9 @@ def generate_dissolve_protocol(
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**kwargs
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)
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action_sequence.extend(pump_actions)
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action_sequence.append(create_action_log(f"溶剂转移完成 ({len(pump_actions)} 个操作)", "✅"))
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# 液体溶解体积运算 - 添加溶剂后更新容器体积
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# 确保vessel有data字段
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if "data" not in vessel:
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vessel["data"] = {}
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@@ -305,24 +262,19 @@ def generate_dissolve_protocol(
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G.nodes[vessel_id]['data']['liquid_volume'] = [final_volume]
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else:
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G.nodes[vessel_id]['data']['liquid_volume'] = current_node_volume + final_volume
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action_sequence.append(create_action_log(f"容器体积已更新 (+{final_volume:.2f}mL)", "📊"))
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# 溶剂添加后等待
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action_sequence.append(create_action_log("溶剂添加后短暂等待...", "⏳"))
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action_sequence.append({
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"action_name": "wait",
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"action_kwargs": {"time": 5}
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})
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# 步骤5.4: 等待溶解完成
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# 等待溶解完成
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if final_time > 0:
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wait_minutes = final_time / 60
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action_sequence.append(create_action_log(f"开始溶解等待 ({wait_minutes:.1f}分钟)", "⏰"))
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if heatchill_id:
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# 使用定时加热搅拌
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action_sequence.append(create_action_log(f"使用加热搅拌器进行定时溶解", "🔥"))
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dissolve_action = {
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"device_id": heatchill_id,
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@@ -340,7 +292,6 @@ def generate_dissolve_protocol(
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elif stirrer_id:
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# 使用定时搅拌
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action_sequence.append(create_action_log(f"使用搅拌器进行定时溶解", "🌪️"))
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stir_action = {
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"device_id": stirrer_id,
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@@ -357,7 +308,6 @@ def generate_dissolve_protocol(
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else:
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# 简单等待
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action_sequence.append(create_action_log(f"简单等待溶解完成", "⏳"))
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action_sequence.append({
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"action_name": "wait",
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"action_kwargs": {"time": final_time}
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@@ -365,8 +315,7 @@ def generate_dissolve_protocol(
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# 步骤5.5: 停止加热搅拌(如果需要)
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if heatchill_id and final_time == 0 and final_temp > 25.0:
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action_sequence.append(create_action_log("停止加热搅拌器", "🛑"))
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stop_action = {
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"device_id": heatchill_id,
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"action_name": "heat_chill_stop",
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@@ -377,7 +326,7 @@ def generate_dissolve_protocol(
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action_sequence.append(stop_action)
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except Exception as e:
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debug_print(f"❌ 溶解流程执行失败: {str(e)}")
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debug_print(f"溶解流程执行失败: {str(e)}")
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action_sequence.append(create_action_log(f"溶解流程失败: {str(e)}", "❌"))
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# 添加错误日志
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action_sequence.append({
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@@ -398,8 +347,8 @@ def generate_dissolve_protocol(
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final_liquid_volume = current_volume
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# === 最终结果 ===
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debug_print(f"溶解协议生成完成: {vessel_id}, 类型={dissolve_type}, "
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f"动作数={len(action_sequence)}, 前后体积={original_liquid_volume:.2f}→{final_liquid_volume:.2f}mL")
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debug_print(f"溶解协议完成: {vessel_id}, 类型={dissolve_type}, "
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f"动作数={len(action_sequence)}, 体积={original_liquid_volume:.2f}→{final_liquid_volume:.2f}mL")
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# 添加完成日志
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summary_msg = f"溶解协议完成: {vessel_id}"
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@@ -408,7 +357,7 @@ def generate_dissolve_protocol(
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if is_solid_dissolve:
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summary_msg += f" (溶解 {final_mass}g {reagent})"
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action_sequence.append(create_action_log(summary_msg, "🎉"))
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action_sequence.append(create_action_log(summary_msg, "✅"))
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return action_sequence
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@@ -420,7 +369,7 @@ def dissolve_solid_by_mass(G: nx.DiGraph, vessel: dict, reagent: str, mass: Unio
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temp: Union[str, float] = 25.0, time: Union[str, float] = "10 min") -> List[Dict[str, Any]]:
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"""按质量溶解固体"""
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vessel_id = vessel["id"]
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debug_print(f"🧂 快速固体溶解: {reagent} ({mass}) → {vessel_id}")
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debug_print(f"快速固体溶解: {reagent} ({mass}) → {vessel_id}")
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return generate_dissolve_protocol(
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G, vessel,
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mass=mass,
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@@ -433,7 +382,7 @@ def dissolve_solid_by_moles(G: nx.DiGraph, vessel: dict, reagent: str, mol: str,
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temp: Union[str, float] = 25.0, time: Union[str, float] = "10 min") -> List[Dict[str, Any]]:
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"""按摩尔数溶解固体"""
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vessel_id = vessel["id"]
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debug_print(f"🧬 按摩尔数溶解固体: {reagent} ({mol}) → {vessel_id}")
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debug_print(f"按摩尔数溶解固体: {reagent} ({mol}) → {vessel_id}")
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return generate_dissolve_protocol(
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G, vessel,
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mol=mol,
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@@ -446,7 +395,7 @@ def dissolve_with_solvent(G: nx.DiGraph, vessel: dict, solvent: str, volume: Uni
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temp: Union[str, float] = 25.0, time: Union[str, float] = "5 min") -> List[Dict[str, Any]]:
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"""用溶剂溶解"""
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vessel_id = vessel["id"]
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debug_print(f"💧 溶剂溶解: {solvent} ({volume}) → {vessel_id}")
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debug_print(f"溶剂溶解: {solvent} ({volume}) → {vessel_id}")
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return generate_dissolve_protocol(
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G, vessel,
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solvent=solvent,
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@@ -458,7 +407,7 @@ def dissolve_with_solvent(G: nx.DiGraph, vessel: dict, solvent: str, volume: Uni
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def dissolve_at_room_temp(G: nx.DiGraph, vessel: dict, solvent: str, volume: Union[str, float]) -> List[Dict[str, Any]]:
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"""室温溶解"""
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vessel_id = vessel["id"]
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debug_print(f"🌡️ 室温溶解: {solvent} ({volume}) → {vessel_id}")
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debug_print(f"室温溶解: {solvent} ({volume}) → {vessel_id}")
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return generate_dissolve_protocol(
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G, vessel,
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solvent=solvent,
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@@ -471,7 +420,7 @@ def dissolve_with_heating(G: nx.DiGraph, vessel: dict, solvent: str, volume: Uni
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temp: Union[str, float] = "60 °C", time: Union[str, float] = "15 min") -> List[Dict[str, Any]]:
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"""加热溶解"""
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vessel_id = vessel["id"]
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debug_print(f"🔥 加热溶解: {solvent} ({volume}) → {vessel_id} @ {temp}")
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debug_print(f"加热溶解: {solvent} ({volume}) → {vessel_id} @ {temp}")
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return generate_dissolve_protocol(
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G, vessel,
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solvent=solvent,
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@@ -483,37 +432,31 @@ def dissolve_with_heating(G: nx.DiGraph, vessel: dict, solvent: str, volume: Uni
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# 测试函数
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def test_dissolve_protocol():
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"""测试溶解协议的各种参数解析"""
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debug_print("=== DISSOLVE PROTOCOL 增强版测试 ===")
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# 测试体积解析
|
||||
debug_print("💧 测试体积解析...")
|
||||
volumes = ["10 mL", "?", 10.0, "1 L", "500 μL"]
|
||||
for vol in volumes:
|
||||
result = parse_volume_input(vol)
|
||||
debug_print(f"📏 体积解析: {vol} → {result}mL")
|
||||
|
||||
debug_print(f"体积解析: {vol} → {result}mL")
|
||||
|
||||
# 测试质量解析
|
||||
debug_print("⚖️ 测试质量解析...")
|
||||
masses = ["2.9 g", "?", 2.5, "500 mg"]
|
||||
for mass in masses:
|
||||
result = parse_mass_input(mass)
|
||||
debug_print(f"⚖️ 质量解析: {mass} → {result}g")
|
||||
|
||||
debug_print(f"质量解析: {mass} → {result}g")
|
||||
|
||||
# 测试温度解析
|
||||
debug_print("🌡️ 测试温度解析...")
|
||||
temps = ["60 °C", "room temperature", "?", 25.0, "reflux"]
|
||||
for temp in temps:
|
||||
result = parse_temperature_input(temp)
|
||||
debug_print(f"🌡️ 温度解析: {temp} → {result}°C")
|
||||
|
||||
debug_print(f"温度解析: {temp} → {result}°C")
|
||||
|
||||
# 测试时间解析
|
||||
debug_print("⏱️ 测试时间解析...")
|
||||
times = ["30 min", "1 h", "?", 60.0]
|
||||
for time in times:
|
||||
result = parse_time_input(time)
|
||||
debug_print(f"⏱️ 时间解析: {time} → {result}s")
|
||||
|
||||
debug_print("✅ 测试完成")
|
||||
debug_print(f"时间解析: {time} → {result}s")
|
||||
|
||||
debug_print("测试完成")
|
||||
|
||||
if __name__ == "__main__":
|
||||
test_dissolve_protocol()
|
||||
Reference in New Issue
Block a user