Create 5 new protocols & bump version 0.9.8 (#59)

* 添加了5个缺失的protocol，验证了可以运行 * bump version to 0.9.8 * 修复新增的Action的字段缺失 --------- Co-authored-by: Xuwznln <18435084+Xuwznln@users.noreply.github.com>
2026-02-06 06:25:06 +00:00 · 2025-07-04 13:58:27 +08:00
parent 132955617d
commit 21afdb62bc
20 changed files with 1602 additions and 33 deletions
--- a/unilabos/compile/reset_handling_protocol.py
+++ b/unilabos/compile/reset_handling_protocol.py
@@ -0,0 +1,180 @@
+import networkx as nx
+from typing import List, Dict, Any
+from .pump_protocol import generate_pump_protocol_with_rinsing
+
+
+def find_solvent_vessel(G: nx.DiGraph, solvent: str) -> str:
+    """
+    查找溶剂容器，支持多种匹配模式
+    
+    Args:
+        G: 网络图
+        solvent: 溶剂名称（如 "methanol", "ethanol", "water"）
+    
+    Returns:
+        str: 溶剂容器ID
+    """
+    print(f"RESET_HANDLING: 正在查找溶剂 '{solvent}' 的容器...")
+    
+    # 构建可能的容器名称
+    possible_names = [
+        f"flask_{solvent}",           # flask_methanol
+        f"bottle_{solvent}",          # bottle_methanol
+        f"reagent_{solvent}",         # reagent_methanol
+        f"reagent_bottle_{solvent}",  # reagent_bottle_methanol
+        f"{solvent}_flask",           # methanol_flask
+        f"{solvent}_bottle",          # methanol_bottle
+        f"{solvent}",                 # methanol
+        f"vessel_{solvent}",          # vessel_methanol
+    ]
+    
+    # 第一步：通过容器名称匹配
+    for vessel_name in possible_names:
+        if vessel_name in G.nodes():
+            print(f"RESET_HANDLING: 通过名称匹配找到容器: {vessel_name}")
+            return vessel_name
+    
+    # 第二步：通过模糊匹配
+    for node_id in G.nodes():
+        if G.nodes[node_id].get('type') == 'container':
+            node_name = G.nodes[node_id].get('name', '').lower()
+            
+            # 检查是否包含溶剂名称
+            if solvent.lower() in node_id.lower() or solvent.lower() in node_name:
+                print(f"RESET_HANDLING: 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
+    for node_id in G.nodes():
+        if G.nodes[node_id].get('type') == 'container':
+            vessel_data = G.nodes[node_id].get('data', {})
+            liquids = vessel_data.get('liquid', [])
+            
+            for liquid in liquids:
+                if isinstance(liquid, dict):
+                    liquid_type = (liquid.get('liquid_type') or liquid.get('name', '')).lower()
+                    reagent_name = vessel_data.get('reagent_name', '').lower()
+                    
+                    if solvent.lower() in liquid_type or solvent.lower() in reagent_name:
+                        print(f"RESET_HANDLING: 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
+    available_containers = []
+    for node_id in G.nodes():
+        if G.nodes[node_id].get('type') == 'container':
+            vessel_data = G.nodes[node_id].get('data', {})
+            liquids = vessel_data.get('liquid', [])
+            liquid_types = [liquid.get('liquid_type', '') or liquid.get('name', '') 
+                           for liquid in liquids if isinstance(liquid, dict)]
+            
+            available_containers.append({
+                'id': node_id,
+                'name': G.nodes[node_id].get('name', ''),
+                'liquids': liquid_types,
+                'reagent_name': vessel_data.get('reagent_name', '')
+            })
+    
+    print(f"RESET_HANDLING: 可用容器列表:")
+    for container in available_containers:
+        print(f"  - {container['id']}: {container['name']}")
+        print(f"    液体: {container['liquids']}")
+        print(f"    试剂: {container['reagent_name']}")
+    
+    raise ValueError(f"找不到溶剂 '{solvent}' 对应的容器。尝试了: {possible_names}")
+
+
+def generate_reset_handling_protocol(
+    G: nx.DiGraph,
+    solvent: str,
+    **kwargs  # 接收其他可能的参数但不使用
+) -> List[Dict[str, Any]]:
+    """
+    生成重置处理协议序列
+    
+    Args:
+        G: 有向图，节点为容器和设备
+        solvent: 溶剂名称（从XDL传入）
+        **kwargs: 其他可选参数，但不使用
+    
+    Returns:
+        List[Dict[str, Any]]: 动作序列
+    """
+    action_sequence = []
+    
+    # 固定参数
+    target_vessel = "main_reactor"  # 默认目标容器
+    volume = 100.0  # 默认体积 100 mL
+    
+    print(f"RESET_HANDLING: 开始生成重置处理协议")
+    print(f"  - 溶剂: {solvent}")
+    print(f"  - 目标容器: {target_vessel}")
+    print(f"  - 体积: {volume} mL")
+    
+    # 1. 验证目标容器存在
+    if target_vessel not in G.nodes():
+        raise ValueError(f"目标容器 '{target_vessel}' 不存在于系统中")
+    
+    # 2. 查找溶剂容器
+    try:
+        solvent_vessel = find_solvent_vessel(G, solvent)
+        print(f"RESET_HANDLING: 找到溶剂容器: {solvent_vessel}")
+    except ValueError as e:
+        raise ValueError(f"无法找到溶剂 '{solvent}': {str(e)}")
+    
+    # 3. 验证路径存在
+    try:
+        path = nx.shortest_path(G, source=solvent_vessel, target=target_vessel)
+        print(f"RESET_HANDLING: 找到路径: {' → '.join(path)}")
+    except nx.NetworkXNoPath:
+        raise ValueError(f"从溶剂容器 '{solvent_vessel}' 到目标容器 '{target_vessel}' 没有可用路径")
+    
+    # 4. 使用pump_protocol转移溶剂
+    print(f"RESET_HANDLING: 开始转移溶剂 {volume} mL")
+    
+    try:
+        pump_actions = generate_pump_protocol_with_rinsing(
+            G=G,
+            from_vessel=solvent_vessel,
+            to_vessel=target_vessel,
+            volume=volume,
+            amount="",
+            time=0.0,
+            viscous=False,
+            rinsing_solvent="",  # 重置处理不需要清洗
+            rinsing_volume=0.0,
+            rinsing_repeats=0,
+            solid=False,
+            flowrate=2.5,  # 正常流速
+            transfer_flowrate=0.5  # 正常转移流速
+        )
+        
+        action_sequence.extend(pump_actions)
+        
+    except Exception as e:
+        raise ValueError(f"生成泵协议时出错: {str(e)}")
+    
+    # 5. 等待溶剂稳定
+    action_sequence.append({
+        "action_name": "wait",
+        "action_kwargs": {
+            "time": 10.0,
+            "description": f"等待溶剂 {solvent} 稳定"
+        }
+    })
+    
+    print(f"RESET_HANDLING: 协议生成完成，共 {len(action_sequence)} 个动作")
+    print(f"RESET_HANDLING: 已添加 {volume} mL {solvent} 到 {target_vessel}")
+    
+    return action_sequence
+
+
+# 测试函数
+def test_reset_handling_protocol():
+    """测试重置处理协议"""
+    print("=== RESET HANDLING PROTOCOL 测试 ===")
+    print("测试完成")
+
+
+if __name__ == "__main__":
+    test_reset_handling_protocol()