open_pub/Uni-Lab-OS
1
0
Fork 0
mirror of https://github.com/deepmodeling/Uni-Lab-OS synced 2026-03-26 13:19:04 +00:00
Code Issues Packages Projects Releases Wiki Activity

refactor: 深度精简4个协议编译器的装饰性日志 (-335行)

Browse Source 
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:
Junhan Chang
2026-03-25 13:44:29 +08:00
parent 80272d691d
commit edc1fe853b
4 changed files with 148 additions and 335 deletions
Download Patch File Download Diff File Expand all files Collapse all files

96
unilabos/compile/adjustph_protocol.py
View File

@@ -19,8 +19,6 @@ def find_acid_base_vessel(G: nx.DiGraph, reagent: str) -> str:
Returns:
str: 试剂容器ID
"""
debug_print(f"🔍 正在查找试剂 '{reagent}' 的容器...")
# 常见酸碱试剂的别名映射
reagent_aliases = {
"hydrochloric acid": ["HCl", "hydrochloric_acid", "hcl", "muriatic_acid"],
@@ -34,17 +32,13 @@ def find_acid_base_vessel(G: nx.DiGraph, reagent: str) -> str:
# 构建搜索名称列表
search_names = [reagent.lower()]
debug_print(f"📋 基础搜索名称: {reagent.lower()}")
# 添加别名
for base_name, aliases in reagent_aliases.items():
if reagent.lower() in base_name.lower() or base_name.lower() in reagent.lower():
search_names.extend([alias.lower() for alias in aliases])
debug_print(f"🔗 添加别名: {aliases}")
break
debug_print(f"📝 完整搜索列表: {search_names}")
# 构建可能的容器名称
possible_names = []
for name in search_names:
@@ -59,17 +53,15 @@ def find_acid_base_vessel(G: nx.DiGraph, reagent: str) -> str:
name_clean
])
debug_print(f"🎯 可能的容器名称 (前5个): {possible_names[:5]}... (共{len(possible_names)}个)")
debug_print(f"搜索容器: {len(possible_names)} 个候选名称")
# 第一步：通过容器名称匹配
debug_print(f"📋 方法1: 精确名称匹配...")
for vessel_name in possible_names:
if vessel_name in G.nodes():
debug_print(f"✅ 通过名称匹配找到容器: {vessel_name} 🎯")
debug_print(f"通过名称匹配找到容器: {vessel_name}")
return vessel_name
# 第二步：通过模糊匹配
debug_print(f"📋 方法2: 模糊名称匹配...")
for node_id in G.nodes():
if G.nodes[node_id].get('type') == 'container':
node_name = G.nodes[node_id].get('name', '').lower()
@@ -77,11 +69,10 @@ def find_acid_base_vessel(G: nx.DiGraph, reagent: str) -> str:
# 检查是否包含任何搜索名称
for search_name in search_names:
if search_name in node_id.lower() or search_name in node_name:
debug_print(f"✅ 通过模糊匹配找到容器: {node_id} 🔍")
debug_print(f"通过模糊匹配找到容器: {node_id}")
return node_id
# 第三步：通过液体类型匹配
debug_print(f"📋 方法3: 液体类型匹配...")
for node_id in G.nodes():
if G.nodes[node_id].get('type') == 'container':
vessel_data = G.nodes[node_id].get('data', {})
@@ -94,7 +85,7 @@ def find_acid_base_vessel(G: nx.DiGraph, reagent: str) -> str:
for search_name in search_names:
if search_name in liquid_type or search_name in reagent_name:
debug_print(f"✅ 通过液体类型匹配找到容器: {node_id} 💧")
debug_print(f"通过液体类型匹配找到容器: {node_id}")
return node_id
# 列出可用容器帮助调试
@@ -167,7 +158,7 @@ def generate_adjust_ph_protocol(
if not vessel_id:
raise ValueError("vessel 参数无效，必须包含id字段或直接提供容器ID")
debug_print(f"开始生成pH调节协议: vessel={vessel_id}, ph={ph_value}, reagent='{reagent}'")
debug_print(f"pH调节协议: vessel={vessel_id}, ph={ph_value}, reagent='{reagent}'")
action_sequence = []
@@ -290,28 +281,23 @@ def generate_adjust_ph_protocol(
# 体积运算 - 试剂添加成功后更新容器液体体积
if "data" in vessel and "liquid_volume" in vessel["data"]:
current_volume = vessel["data"]["liquid_volume"]
debug_print(f"📊 添加前容器体积: {current_volume}")
# 处理不同的体积数据格式
if isinstance(current_volume, list):
if len(current_volume) > 0:
# 增加体积（添加试剂）
vessel["data"]["liquid_volume"][0] += volume
debug_print(f"📊 添加后容器体积: {vessel['data']['liquid_volume'][0]:.2f}mL (+{volume:.2f}mL)")
else:
# 如果列表为空，创建新的体积记录
vessel["data"]["liquid_volume"] = [volume]
debug_print(f"📊 初始化容器体积: {volume:.2f}mL")
elif isinstance(current_volume, (int, float)):
# 直接数值类型
vessel["data"]["liquid_volume"] += volume
debug_print(f"📊 添加后容器体积: {vessel['data']['liquid_volume']:.2f}mL (+{volume:.2f}mL)")
else:
debug_print(f"⚠️ 未知的体积数据格式: {type(current_volume)}")
debug_print(f"未知的体积数据格式: {type(current_volume)}")
# 创建新的体积记录
vessel["data"]["liquid_volume"] = volume
else:
debug_print(f"📊 容器无液体体积数据，创建新记录: {volume:.2f}mL")
# 确保vessel有data字段
if "data" not in vessel:
vessel["data"] = {}
@@ -329,19 +315,16 @@ def generate_adjust_ph_protocol(
G.nodes[vessel_id]['data']['liquid_volume'] = [volume]
else:
G.nodes[vessel_id]['data']['liquid_volume'] = current_node_volume + 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 (+{volume:.2f}mL)", "📊"))
except Exception as e:
debug_print(f"❌ 生成泵协议时出错: {str(e)}")
debug_print(f"生成泵协议时出错: {str(e)}")
action_sequence.append(create_action_log(f"泵协议生成失败: {str(e)}", "❌"))
raise ValueError(f"生成泵协议时出错: {str(e)}")
# 7. 混合搅拌
if stir and stirrer_id:
debug_print(f"🔍 步骤7: 混合搅拌...")
action_sequence.append(create_action_log(f"开始混合搅拌 {stir_time:.0f}s", "🌀"))
action_sequence.append({
@@ -354,14 +337,10 @@ def generate_adjust_ph_protocol(
"purpose": f"pH调节: 混合试剂，目标pH={ph_value}"
}
})
debug_print(f"✅ 混合搅拌设置完成")
else:
debug_print(f"⏭️ 跳过混合搅拌")
action_sequence.append(create_action_log("跳过混合搅拌", "⏭️"))
# 8. 等待平衡
debug_print(f"🔍 步骤8: 反应平衡...")
action_sequence.append(create_action_log(f"等待pH平衡 {settling_time:.0f}s", "⚖️"))
action_sequence.append({
@@ -374,17 +353,7 @@ def generate_adjust_ph_protocol(
# 9. 完成总结
total_time = addition_time + stir_time + settling_time
debug_print("=" * 60)
debug_print(f"🎉 pH调节协议生成完成")
debug_print(f"📊 协议统计:")
debug_print(f" 📋 总动作数: {len(action_sequence)}")
debug_print(f" ⏱️ 预计总时间: {total_time:.0f}s ({total_time/60:.1f}分钟)")
debug_print(f" 🧪 试剂: {reagent}")
debug_print(f" 📏 体积: {volume:.2f}mL")
debug_print(f" 📊 目标pH: {ph_value}")
debug_print(f" 🥼 目标容器: {vessel_id}")
debug_print("=" * 60)
debug_print(f"pH调节协议完成: {len(action_sequence)} 个动作, {total_time:.0f}s, {volume:.2f}mL {reagent} → {vessel_id} pH {ph_value}")
# 添加完成日志
summary_msg = f"pH调节协议完成: {vessel_id} → pH {ph_value} (使用 {volume:.2f}mL {reagent})"
@@ -416,28 +385,18 @@ def generate_adjust_ph_protocol_stepwise(
"""
# 🔧 核心修改：从字典中提取容器ID
vessel_id = vessel["id"]
debug_print("=" * 60)
debug_print(f"🔄 开始分步pH调节")
debug_print(f"📋 分步参数:")
debug_print(f" 🥼 vessel: {vessel} (ID: {vessel_id})")
debug_print(f" 📊 ph_value: {ph_value}")
debug_print(f" 🧪 reagent: {reagent}")
debug_print(f" 📏 max_volume: {max_volume}mL")
debug_print(f" 🔢 steps: {steps}")
debug_print("=" * 60)
debug_print(f"分步pH调节: vessel={vessel_id}, ph={ph_value}, reagent={reagent}, max_volume={max_volume}mL, steps={steps}")
action_sequence = []
# 每步添加的体积
step_volume = max_volume / steps
debug_print(f"📊 每步体积: {step_volume:.2f}mL")
action_sequence.append(create_action_log(f"开始分步pH调节 ({steps}步)", "🔄"))
action_sequence.append(create_action_log(f"每步添加: {step_volume:.2f}mL", "📏"))
for i in range(steps):
debug_print(f"🔄 执行第 {i+1}/{steps} 步，添加 {step_volume:.2f}mL")
action_sequence.append(create_action_log(f"第 {i+1}/{steps} 步开始", "🚀"))
# 生成单步协议
@@ -454,12 +413,10 @@ def generate_adjust_ph_protocol_stepwise(
)
action_sequence.extend(step_actions)
debug_print(f"✅ 第 {i+1}/{steps} 步完成，添加了 {len(step_actions)} 个动作")
action_sequence.append(create_action_log(f"第 {i+1}/{steps} 步完成", "✅"))
# 步骤间等待
if i < steps - 1:
debug_print(f"⏳ 步骤间等待30s")
action_sequence.append(create_action_log("步骤间等待...", "⏳"))
action_sequence.append({
"action_name": "wait",
@@ -469,7 +426,7 @@ def generate_adjust_ph_protocol_stepwise(
}
})
debug_print(f"🎉 分步pH调节完成，共 {len(action_sequence)} 个动作")
debug_print(f"分步pH调节完成: {len(action_sequence)} 个动作")
action_sequence.append(create_action_log("分步pH调节全部完成", "🎉"))
return action_sequence
@@ -483,7 +440,7 @@ def generate_acidify_protocol(
) -> List[Dict[str, Any]]:
"""酸化协议"""
vessel_id = vessel["id"]
debug_print(f"🍋 生成酸化协议: {vessel_id} → pH {target_ph} (使用 {acid})")
debug_print(f"酸化协议: {vessel_id} → pH {target_ph} ({acid})")
return generate_adjust_ph_protocol(
G, vessel, target_ph, acid
)
@@ -496,7 +453,7 @@ def generate_basify_protocol(
) -> List[Dict[str, Any]]:
"""碱化协议"""
vessel_id = vessel["id"]
debug_print(f"🧂 生成碱化协议: {vessel_id} → pH {target_ph} (使用 {base})")
debug_print(f"碱化协议: {vessel_id} → pH {target_ph} ({base})")
return generate_adjust_ph_protocol(
G, vessel, target_ph, base
)
@@ -508,7 +465,7 @@ def generate_neutralize_protocol(
) -> List[Dict[str, Any]]:
"""中和协议（pH=7）"""
vessel_id = vessel["id"]
debug_print(f"⚖️ 生成中和协议: {vessel_id} → pH 7.0 (使用 {reagent})")
debug_print(f"中和协议: {vessel_id} → pH 7.0 ({reagent})")
return generate_adjust_ph_protocol(
G, vessel, 7.0, reagent
)
@@ -516,10 +473,7 @@ def generate_neutralize_protocol(
# 测试函数
def test_adjust_ph_protocol():
"""测试pH调节协议"""
debug_print("=== ADJUST PH PROTOCOL 增强版测试 ===")
# 测试体积计算
debug_print("🧮 测试体积计算...")
test_cases = [
(2.0, "hydrochloric acid", 100.0),
(4.0, "hydrochloric acid", 100.0),
@@ -527,12 +481,12 @@ def test_adjust_ph_protocol():
(10.0, "sodium hydroxide", 100.0),
(7.0, "unknown reagent", 100.0)
]
for ph, reagent, volume in test_cases:
result = calculate_reagent_volume(ph, reagent, volume)
debug_print(f"📊 {reagent} → pH {ph}: {result:.2f}mL")
debug_print("✅ 测试完成")
debug_print(f"{reagent} → pH {ph}: {result:.2f}mL")
debug_print("测试完成")
if __name__ == "__main__":
test_adjust_ph_protocol()