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632 lines
26 KiB
Python
632 lines
26 KiB
Python
import networkx as nx
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import logging
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from typing import List, Dict, Any, Union
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from .utils.vessel_parser import get_vessel
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from .pump_protocol import generate_pump_protocol_with_rinsing
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logger = logging.getLogger(__name__)
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def debug_print(message):
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"""调试输出"""
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logger.info(f"[ADJUST_PH] {message}")
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def find_acid_base_vessel(G: nx.DiGraph, reagent: str) -> str:
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"""
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查找酸碱试剂容器，支持多种匹配模式
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Args:
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G: 网络图
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reagent: 试剂名称（如 "hydrochloric acid", "sodium hydroxide"）
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Returns:
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str: 试剂容器ID
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"""
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debug_print(f"🔍 正在查找试剂 '{reagent}' 的容器...")
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# 常见酸碱试剂的别名映射
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reagent_aliases = {
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"hydrochloric acid": ["HCl", "hydrochloric_acid", "hcl", "muriatic_acid"],
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"sodium hydroxide": ["NaOH", "sodium_hydroxide", "naoh", "caustic_soda"],
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"sulfuric acid": ["H2SO4", "sulfuric_acid", "h2so4"],
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"nitric acid": ["HNO3", "nitric_acid", "hno3"],
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"acetic acid": ["CH3COOH", "acetic_acid", "glacial_acetic_acid"],
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"ammonia": ["NH3", "ammonium_hydroxide", "nh3"],
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"potassium hydroxide": ["KOH", "potassium_hydroxide", "koh"]
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}
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# 构建搜索名称列表
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search_names = [reagent.lower()]
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debug_print(f"📋 基础搜索名称: {reagent.lower()}")
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# 添加别名
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for base_name, aliases in reagent_aliases.items():
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if reagent.lower() in base_name.lower() or base_name.lower() in reagent.lower():
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search_names.extend([alias.lower() for alias in aliases])
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debug_print(f"🔗 添加别名: {aliases}")
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break
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debug_print(f"📝 完整搜索列表: {search_names}")
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# 构建可能的容器名称
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possible_names = []
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for name in search_names:
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name_clean = name.replace(" ", "_").replace("-", "_")
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possible_names.extend([
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f"flask_{name_clean}",
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f"bottle_{name_clean}",
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f"reagent_{name_clean}",
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f"acid_{name_clean}" if "acid" in name else f"base_{name_clean}",
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f"{name_clean}_bottle",
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f"{name_clean}_flask",
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name_clean
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])
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debug_print(f"🎯 可能的容器名称 (前5个): {possible_names[:5]}... (共{len(possible_names)}个)")
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# 第一步：通过容器名称匹配
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debug_print(f"📋 方法1: 精确名称匹配...")
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for vessel_name in possible_names:
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if vessel_name in G.nodes():
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debug_print(f"✅ 通过名称匹配找到容器: {vessel_name} 🎯")
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return vessel_name
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# 第二步：通过模糊匹配
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debug_print(f"📋 方法2: 模糊名称匹配...")
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for node_id in G.nodes():
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if G.nodes[node_id].get('type') == 'container':
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node_name = G.nodes[node_id].get('name', '').lower()
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# 检查是否包含任何搜索名称
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for search_name in search_names:
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if search_name in node_id.lower() or search_name in node_name:
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debug_print(f"✅ 通过模糊匹配找到容器: {node_id} 🔍")
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return node_id
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# 第三步：通过液体类型匹配
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debug_print(f"📋 方法3: 液体类型匹配...")
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for node_id in G.nodes():
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if G.nodes[node_id].get('type') == 'container':
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vessel_data = G.nodes[node_id].get('data', {})
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liquids = vessel_data.get('liquid', [])
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for liquid in liquids:
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if isinstance(liquid, dict):
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liquid_type = (liquid.get('liquid_type') or liquid.get('name', '')).lower()
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reagent_name = vessel_data.get('reagent_name', '').lower()
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for search_name in search_names:
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if search_name in liquid_type or search_name in reagent_name:
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debug_print(f"✅ 通过液体类型匹配找到容器: {node_id} 💧")
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return node_id
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# 列出可用容器帮助调试
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debug_print(f"📊 列出可用容器帮助调试...")
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available_containers = []
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for node_id in G.nodes():
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if G.nodes[node_id].get('type') == 'container':
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vessel_data = G.nodes[node_id].get('data', {})
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liquids = vessel_data.get('liquid', [])
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liquid_types = [liquid.get('liquid_type', '') or liquid.get('name', '')
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for liquid in liquids if isinstance(liquid, dict)]
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available_containers.append({
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'id': node_id,
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'name': G.nodes[node_id].get('name', ''),
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'liquids': liquid_types,
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'reagent_name': vessel_data.get('reagent_name', '')
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})
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debug_print(f"📋 可用容器列表:")
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for container in available_containers:
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debug_print(f" - 🧪 {container['id']}: {container['name']}")
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debug_print(f" 💧 液体: {container['liquids']}")
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debug_print(f" 🏷️ 试剂: {container['reagent_name']}")
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debug_print(f"❌ 所有匹配方法都失败了")
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raise ValueError(f"找不到试剂 '{reagent}' 对应的容器。尝试了: {possible_names[:10]}...")
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def find_connected_stirrer(G: nx.DiGraph, vessel: str) -> str:
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"""查找与容器相连的搅拌器"""
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debug_print(f"🔍 查找连接到容器 '{vessel}' 的搅拌器...")
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stirrer_nodes = [node for node in G.nodes()
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if (G.nodes[node].get('class') or '') == 'virtual_stirrer']
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debug_print(f"📊 发现 {len(stirrer_nodes)} 个搅拌器: {stirrer_nodes}")
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for stirrer in stirrer_nodes:
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if G.has_edge(stirrer, vessel) or G.has_edge(vessel, stirrer):
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debug_print(f"✅ 找到连接的搅拌器: {stirrer} 🔗")
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return stirrer
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if stirrer_nodes:
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debug_print(f"⚠️ 未找到直接连接的搅拌器，使用第一个: {stirrer_nodes[0]} 🔄")
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return stirrer_nodes[0]
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debug_print(f"❌ 未找到任何搅拌器")
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return None
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def calculate_reagent_volume(target_ph_value: float, reagent: str, vessel_volume: float = 100.0) -> float:
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"""
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估算需要的试剂体积来调节pH
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Args:
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target_ph_value: 目标pH值
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reagent: 试剂名称
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vessel_volume: 容器体积 (mL)
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Returns:
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float: 估算的试剂体积 (mL)
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"""
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debug_print(f"🧮 计算试剂体积...")
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debug_print(f" 📍 目标pH: {target_ph_value}")
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debug_print(f" 🧪 试剂: {reagent}")
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debug_print(f" 📏 容器体积: {vessel_volume}mL")
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# 简化的pH调节体积估算（实际应用中需要更精确的计算）
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if "acid" in reagent.lower() or "hcl" in reagent.lower():
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debug_print(f"🍋 检测到酸性试剂")
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# 酸性试剂：pH越低需要的体积越大
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if target_ph_value < 3:
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volume = vessel_volume * 0.05 # 5%
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debug_print(f" 💪 强酸性 (pH<3): 使用 5% 体积")
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elif target_ph_value < 5:
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volume = vessel_volume * 0.02 # 2%
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debug_print(f" 🔸 中酸性 (pH<5): 使用 2% 体积")
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else:
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volume = vessel_volume * 0.01 # 1%
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debug_print(f" 🔹 弱酸性 (pH≥5): 使用 1% 体积")
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elif "hydroxide" in reagent.lower() or "naoh" in reagent.lower():
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debug_print(f"🧂 检测到碱性试剂")
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# 碱性试剂：pH越高需要的体积越大
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if target_ph_value > 11:
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volume = vessel_volume * 0.05 # 5%
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debug_print(f" 💪 强碱性 (pH>11): 使用 5% 体积")
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elif target_ph_value > 9:
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volume = vessel_volume * 0.02 # 2%
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debug_print(f" 🔸 中碱性 (pH>9): 使用 2% 体积")
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else:
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volume = vessel_volume * 0.01 # 1%
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debug_print(f" 🔹 弱碱性 (pH≤9): 使用 1% 体积")
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else:
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# 未知试剂，使用默认值
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volume = vessel_volume * 0.01
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debug_print(f"❓ 未知试剂类型，使用默认 1% 体积")
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debug_print(f"📊 计算结果: {volume:.2f}mL")
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return volume
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def generate_adjust_ph_protocol(
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G: nx.DiGraph,
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vessel:Union[dict,str], # 🔧 修改：从字符串改为字典类型
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ph_value: float,
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reagent: str,
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**kwargs
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) -> List[Dict[str, Any]]:
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"""
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生成调节pH的协议序列
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Args:
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G: 有向图，节点为容器和设备
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vessel: 目标容器字典（需要调节pH的容器）
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ph_value: 目标pH值（从XDL传入）
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reagent: 酸碱试剂名称（从XDL传入）
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**kwargs: 其他可选参数，使用默认值
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Returns:
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List[Dict[str, Any]]: 动作序列
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"""
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vessel_id, vessel_data = get_vessel(vessel)
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if not vessel_id:
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debug_print(f"❌ vessel 参数无效，必须包含id字段或直接提供容器ID. vessel: {vessel}")
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raise ValueError("vessel 参数无效，必须包含id字段或直接提供容器ID")
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debug_print("=" * 60)
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debug_print("🧪 开始生成pH调节协议")
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debug_print(f"📋 原始参数:")
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debug_print(f" 🥼 vessel: {vessel} (ID: {vessel_id})")
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debug_print(f" 📊 ph_value: {ph_value}")
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debug_print(f" 🧪 reagent: '{reagent}'")
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debug_print(f" 📦 kwargs: {kwargs}")
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debug_print("=" * 60)
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action_sequence = []
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# 从kwargs中获取可选参数，如果没有则使用默认值
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volume = kwargs.get('volume', 0.0) # 自动估算体积
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stir = kwargs.get('stir', True) # 默认搅拌
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stir_speed = kwargs.get('stir_speed', 300.0) # 默认搅拌速度
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stir_time = kwargs.get('stir_time', 60.0) # 默认搅拌时间
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settling_time = kwargs.get('settling_time', 30.0) # 默认平衡时间
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debug_print(f"🔧 处理后的参数:")
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debug_print(f" 📏 volume: {volume}mL (0.0表示自动估算)")
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debug_print(f" 🌪️ stir: {stir}")
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debug_print(f" 🔄 stir_speed: {stir_speed}rpm")
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debug_print(f" ⏱️ stir_time: {stir_time}s")
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debug_print(f" ⏳ settling_time: {settling_time}s")
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# 开始处理
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action_sequence.append(create_action_log(f"开始调节pH至 {ph_value}", "🧪"))
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action_sequence.append(create_action_log(f"目标容器: {vessel_id}", "🥼"))
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action_sequence.append(create_action_log(f"使用试剂: {reagent}", "⚗️"))
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# 1. 验证目标容器存在
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debug_print(f"🔍 步骤1: 验证目标容器...")
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if vessel_id not in G.nodes():
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debug_print(f"❌ 目标容器 '{vessel_id}' 不存在于系统中")
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raise ValueError(f"目标容器 '{vessel_id}' 不存在于系统中")
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debug_print(f"✅ 目标容器验证通过")
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action_sequence.append(create_action_log("目标容器验证通过", "✅"))
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# 2. 查找酸碱试剂容器
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debug_print(f"🔍 步骤2: 查找试剂容器...")
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action_sequence.append(create_action_log("正在查找试剂容器...", "🔍"))
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try:
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reagent_vessel = find_acid_base_vessel(G, reagent)
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debug_print(f"✅ 找到试剂容器: {reagent_vessel}")
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action_sequence.append(create_action_log(f"找到试剂容器: {reagent_vessel}", "🧪"))
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except ValueError as e:
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debug_print(f"❌ 无法找到试剂容器: {str(e)}")
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action_sequence.append(create_action_log(f"试剂容器查找失败: {str(e)}", "❌"))
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raise ValueError(f"无法找到试剂 '{reagent}': {str(e)}")
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# 3. 体积估算
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debug_print(f"🔍 步骤3: 体积处理...")
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if volume <= 0:
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action_sequence.append(create_action_log("开始自动估算试剂体积", "🧮"))
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# 获取目标容器的体积信息
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vessel_data = G.nodes[vessel_id].get('data', {})
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vessel_volume = vessel_data.get('max_volume', 100.0) # 默认100mL
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debug_print(f"📏 容器最大体积: {vessel_volume}mL")
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estimated_volume = calculate_reagent_volume(ph_value, reagent, vessel_volume)
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volume = estimated_volume
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debug_print(f"✅ 自动估算试剂体积: {volume:.2f} mL")
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action_sequence.append(create_action_log(f"估算试剂体积: {volume:.2f}mL", "📊"))
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else:
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debug_print(f"📏 使用指定体积: {volume}mL")
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action_sequence.append(create_action_log(f"使用指定体积: {volume}mL", "📏"))
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# 4. 验证路径存在
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debug_print(f"🔍 步骤4: 路径验证...")
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action_sequence.append(create_action_log("验证转移路径...", "🛤️"))
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try:
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path = nx.shortest_path(G, source=reagent_vessel, target=vessel_id)
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debug_print(f"✅ 找到路径: {' → '.join(path)}")
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action_sequence.append(create_action_log(f"找到转移路径: {' → '.join(path)}", "🛤️"))
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except nx.NetworkXNoPath:
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debug_print(f"❌ 无法找到转移路径")
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action_sequence.append(create_action_log("转移路径不存在", "❌"))
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raise ValueError(f"从试剂容器 '{reagent_vessel}' 到目标容器 '{vessel_id}' 没有可用路径")
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# 5. 搅拌器设置
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debug_print(f"🔍 步骤5: 搅拌器设置...")
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stirrer_id = None
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if stir:
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action_sequence.append(create_action_log("准备启动搅拌器", "🌪️"))
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try:
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stirrer_id = find_connected_stirrer(G, vessel_id)
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if stirrer_id:
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debug_print(f"✅ 找到搅拌器 {stirrer_id}，启动搅拌")
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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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action_sequence.append({
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"device_id": stirrer_id,
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"action_name": "start_stir",
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"action_kwargs": {
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"vessel": vessel_id,
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"stir_speed": stir_speed,
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"purpose": f"pH调节: 启动搅拌，准备添加 {reagent}"
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}
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})
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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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})
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else:
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debug_print(f"⚠️ 未找到搅拌器，继续执行")
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action_sequence.append(create_action_log("未找到搅拌器，跳过搅拌", "⚠️"))
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except Exception as e:
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debug_print(f"❌ 搅拌器配置出错: {str(e)}")
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action_sequence.append(create_action_log(f"搅拌器配置失败: {str(e)}", "❌"))
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else:
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debug_print(f"📋 跳过搅拌设置")
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action_sequence.append(create_action_log("跳过搅拌设置", "⏭️"))
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# 6. 试剂添加
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debug_print(f"🔍 步骤6: 试剂添加...")
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action_sequence.append(create_action_log(f"开始添加试剂 {volume:.2f}mL", "🚰"))
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# 计算添加时间（pH调节需要缓慢添加）
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addition_time = max(30.0, volume * 2.0) # 至少30秒，每mL需要2秒
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debug_print(f"⏱️ 计算添加时间: {addition_time}s (缓慢注入)")
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action_sequence.append(create_action_log(f"设置添加时间: {addition_time:.0f}s (缓慢注入)", "⏱️"))
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try:
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action_sequence.append(create_action_log("调用泵协议进行试剂转移", "🔄"))
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pump_actions = generate_pump_protocol_with_rinsing(
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G=G,
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from_vessel=reagent_vessel,
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to_vessel=vessel_id,
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volume=volume,
|
||
amount="",
|
||
time=addition_time,
|
||
viscous=False,
|
||
rinsing_solvent="", # pH调节不需要清洗
|
||
rinsing_volume=0.0,
|
||
rinsing_repeats=0,
|
||
solid=False,
|
||
flowrate=0.5, # 缓慢注入
|
||
transfer_flowrate=0.3
|
||
)
|
||
|
||
action_sequence.extend(pump_actions)
|
||
debug_print(f"✅ 泵协议生成完成，添加了 {len(pump_actions)} 个动作")
|
||
action_sequence.append(create_action_log(f"试剂转移完成 ({len(pump_actions)} 个操作)", "✅"))
|
||
|
||
# 🔧 修复体积运算 - 试剂添加成功后更新容器液体体积
|
||
debug_print(f"🔧 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)}")
|
||
# 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"] = {}
|
||
vessel["data"]["liquid_volume"] = volume
|
||
|
||
# 🔧 同时更新图中的容器数据
|
||
if vessel_id in G.nodes():
|
||
vessel_node_data = G.nodes[vessel_id].get('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] += volume
|
||
else:
|
||
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)}")
|
||
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({
|
||
"device_id": stirrer_id,
|
||
"action_name": "stir",
|
||
"action_kwargs": {
|
||
"stir_time": stir_time,
|
||
"stir_speed": stir_speed,
|
||
"settling_time": settling_time,
|
||
"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({
|
||
"action_name": "wait",
|
||
"action_kwargs": {
|
||
"time": settling_time,
|
||
"description": f"等待pH平衡到目标值 {ph_value}"
|
||
}
|
||
})
|
||
|
||
# 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)
|
||
|
||
# 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})"
|
||
action_sequence.append(create_action_log(summary_msg, "🎉"))
|
||
|
||
return action_sequence
|
||
|
||
def generate_adjust_ph_protocol_stepwise(
|
||
G: nx.DiGraph,
|
||
vessel: dict, # 🔧 修改：从字符串改为字典类型
|
||
ph_value: float,
|
||
reagent: str,
|
||
max_volume: float = 10.0,
|
||
steps: int = 3
|
||
) -> List[Dict[str, Any]]:
|
||
"""
|
||
分步调节pH的协议（更安全，避免过度调节）
|
||
|
||
Args:
|
||
G: 网络图
|
||
vessel: 目标容器字典
|
||
ph_value: 目标pH值
|
||
reagent: 酸碱试剂
|
||
max_volume: 最大试剂体积
|
||
steps: 分步数量
|
||
|
||
Returns:
|
||
List[Dict[str, Any]]: 动作序列
|
||
"""
|
||
# 🔧 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)
|
||
|
||
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
|
||
step_actions = generate_adjust_ph_protocol(
|
||
G=G,
|
||
vessel=vessel, # 🔧 直接传递vessel字典
|
||
ph_value=ph_value,
|
||
reagent=reagent,
|
||
volume=step_volume,
|
||
stir=True,
|
||
stir_speed=300.0,
|
||
stir_time=30.0,
|
||
settling_time=20.0
|
||
)
|
||
|
||
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",
|
||
"action_kwargs": {
|
||
"time": 30,
|
||
"description": f"pH调节第{i+1}步完成，等待下一步"
|
||
}
|
||
})
|
||
|
||
debug_print(f"🎉 分步pH调节完成，共 {len(action_sequence)} 个动作")
|
||
action_sequence.append(create_action_log("分步pH调节全部完成", "🎉"))
|
||
|
||
return action_sequence
|
||
|
||
# 便捷函数：常用pH调节
|
||
def generate_acidify_protocol(
|
||
G: nx.DiGraph,
|
||
vessel: dict, # 🔧 修改：从字符串改为字典类型
|
||
target_ph: float = 2.0,
|
||
acid: str = "hydrochloric acid"
|
||
) -> 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})")
|
||
return generate_adjust_ph_protocol(
|
||
G, vessel, target_ph, acid
|
||
)
|
||
|
||
def generate_basify_protocol(
|
||
G: nx.DiGraph,
|
||
vessel: dict, # 🔧 修改：从字符串改为字典类型
|
||
target_ph: float = 12.0,
|
||
base: str = "sodium hydroxide"
|
||
) -> 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})")
|
||
return generate_adjust_ph_protocol(
|
||
G, vessel, target_ph, base
|
||
)
|
||
|
||
def generate_neutralize_protocol(
|
||
G: nx.DiGraph,
|
||
vessel: dict, # 🔧 修改：从字符串改为字典类型
|
||
reagent: str = "sodium hydroxide"
|
||
) -> 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})")
|
||
return generate_adjust_ph_protocol(
|
||
G, vessel, 7.0, reagent
|
||
)
|
||
|
||
# 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),
|
||
(12.0, "sodium hydroxide", 100.0),
|
||
(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")
|
||
|
||
if __name__ == "__main__":
|
||
test_adjust_ph_protocol() |