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修复了部分的protocol因为XDL更新导致的问题 (#61)
* 修复了部分的protocol因为XDL更新导致的问题 但是pumptransfer，add，dissolve，separate还没修，后续还需要写virtual固体加料器 * 补充了四个action * 添加了固体加样器，丰富了json，修改了add protocol * bump version to 0.9.9 * fix bugs from new actions * protocol完整修复版本& bump version to 0.9.10 * 修补了一些单位处理，bump version to 0.9.11 * 优化了全protocol的运行时间，除了pumptransfer相关的还没 * 补充了剩下的几个protocol --------- Co-authored-by: Junhan Chang <changjh@dp.tech> Co-authored-by: Xuwznln <18435084+Xuwznln@users.noreply.github.com>
This commit is contained in:
Kongchang Feng
GitHub
@@ -1,230 +1,670 @@
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import numpy as np
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import networkx as nx
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import re
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import logging
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import sys
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from typing import List, Dict, Any, Union
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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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# 确保输出编码为UTF-8
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if hasattr(sys.stdout, 'reconfigure'):
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try:
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sys.stdout.reconfigure(encoding='utf-8')
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sys.stderr.reconfigure(encoding='utf-8')
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except:
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pass
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def debug_print(message):
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"""调试输出函数 - 支持中文"""
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try:
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# 确保消息是字符串格式
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safe_message = str(message)
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print(f"[分离协议] {safe_message}", flush=True)
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logger.info(f"[分离协议] {safe_message}")
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except UnicodeEncodeError:
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# 如果编码失败，尝试替换不支持的字符
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safe_message = str(message).encode('utf-8', errors='replace').decode('utf-8')
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print(f"[分离协议] {safe_message}", flush=True)
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logger.info(f"[分离协议] {safe_message}")
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except Exception as e:
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# 最后的安全措施
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fallback_message = f"日志输出错误: {repr(message)}"
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print(f"[分离协议] {fallback_message}", flush=True)
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logger.info(f"[分离协议] {fallback_message}")
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def create_action_log(message: str, emoji: str = "📝") -> Dict[str, Any]:
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"""创建一个动作日志 - 支持中文和emoji"""
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try:
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full_message = f"{emoji} {message}"
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debug_print(full_message)
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logger.info(full_message)
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return {
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"action_name": "wait",
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"action_kwargs": {
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"time": 0.1,
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"log_message": full_message,
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"progress_message": full_message
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}
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}
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except Exception as e:
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# 如果emoji有问题，使用纯文本
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safe_message = f"[日志] {message}"
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debug_print(safe_message)
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logger.info(safe_message)
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return {
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"action_name": "wait",
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"action_kwargs": {
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"time": 0.1,
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"log_message": safe_message,
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"progress_message": safe_message
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}
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}
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def parse_volume_input(volume_input: Union[str, float]) -> float:
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"""
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解析体积输入，支持带单位的字符串
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Args:
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volume_input: 体积输入（如 "200 mL", "?", 50.0）
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Returns:
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float: 体积（毫升）
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"""
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if isinstance(volume_input, (int, float)):
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debug_print(f"📏 体积输入为数值: {volume_input}")
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return float(volume_input)
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if not volume_input or not str(volume_input).strip():
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debug_print(f"⚠️ 体积输入为空，返回 0.0mL")
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return 0.0
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volume_str = str(volume_input).lower().strip()
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debug_print(f"🔍 解析体积输入: '{volume_str}'")
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# 处理未知体积
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if volume_str in ['?', 'unknown', 'tbd', 'to be determined', '未知', '待定']:
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default_volume = 100.0 # 默认100mL
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debug_print(f"❓ 检测到未知体积，使用默认值: {default_volume}mL")
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return default_volume
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# 移除空格并提取数字和单位
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volume_clean = re.sub(r'\s+', '', volume_str)
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# 匹配数字和单位的正则表达式
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match = re.match(r'([0-9]*\.?[0-9]+)\s*(ml|l|μl|ul|microliter|milliliter|liter|毫升|升|微升)?', volume_clean)
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if not match:
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debug_print(f"⚠️ 无法解析体积: '{volume_str}'，使用默认值 100mL")
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return 100.0
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value = float(match.group(1))
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unit = match.group(2) or 'ml' # 默认单位为毫升
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# 转换为毫升
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if unit in ['l', 'liter', '升']:
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volume = value * 1000.0 # L -> mL
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debug_print(f"🔄 体积转换: {value}L -> {volume}mL")
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elif unit in ['μl', 'ul', 'microliter', '微升']:
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volume = value / 1000.0 # μL -> mL
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debug_print(f"🔄 体积转换: {value}μL -> {volume}mL")
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else: # ml, milliliter, 毫升 或默认
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volume = value # 已经是mL
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debug_print(f"✅ 体积已为毫升单位: {volume}mL")
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return volume
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def find_solvent_vessel(G: nx.DiGraph, solvent: str) -> str:
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"""查找溶剂容器，支持多种匹配模式"""
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if not solvent or not solvent.strip():
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debug_print("⏭️ 未指定溶剂，跳过溶剂容器查找")
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return ""
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debug_print(f"🔍 正在查找溶剂 '{solvent}' 的容器...")
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# 🔧 方法1：直接搜索 data.reagent_name 和 config.reagent
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debug_print(f"📋 方法1: 搜索试剂字段...")
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for node in G.nodes():
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node_data = G.nodes[node].get('data', {})
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node_type = G.nodes[node].get('type', '')
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config_data = G.nodes[node].get('config', {})
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# 只搜索容器类型的节点
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if node_type == 'container':
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reagent_name = node_data.get('reagent_name', '').lower()
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config_reagent = config_data.get('reagent', '').lower()
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# 精确匹配
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if reagent_name == solvent.lower() or config_reagent == solvent.lower():
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debug_print(f"✅ 通过试剂字段精确匹配找到容器: {node}")
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return node
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# 模糊匹配
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if (solvent.lower() in reagent_name and reagent_name) or \
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(solvent.lower() in config_reagent and config_reagent):
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debug_print(f"✅ 通过试剂字段模糊匹配找到容器: {node}")
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return node
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# 🔧 方法2：常见的容器命名规则
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debug_print(f"📋 方法2: 使用命名规则...")
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solvent_clean = solvent.lower().replace(' ', '_').replace('-', '_')
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possible_names = [
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f"flask_{solvent_clean}",
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f"bottle_{solvent_clean}",
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f"vessel_{solvent_clean}",
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f"{solvent_clean}_flask",
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f"{solvent_clean}_bottle",
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f"solvent_{solvent_clean}",
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f"reagent_{solvent_clean}",
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f"reagent_bottle_{solvent_clean}",
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f"reagent_bottle_1", # 通用试剂瓶
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f"reagent_bottle_2",
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f"reagent_bottle_3"
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]
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debug_print(f"🎯 尝试的容器名称: {possible_names[:5]}... (共 {len(possible_names)} 个)")
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for name in possible_names:
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if name in G.nodes():
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node_type = G.nodes[name].get('type', '')
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if node_type == 'container':
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debug_print(f"✅ 通过命名规则找到容器: {name}")
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return name
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# 🔧 方法3：使用第一个试剂瓶作为备选
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debug_print(f"📋 方法3: 查找备用试剂瓶...")
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for node_id in G.nodes():
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node_data = G.nodes[node_id]
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if (node_data.get('type') == 'container' and
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('reagent' in node_id.lower() or 'bottle' in node_id.lower())):
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debug_print(f"⚠️ 未找到专用容器，使用备用容器: {node_id}")
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return node_id
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debug_print(f"❌ 无法找到溶剂 '{solvent}' 的容器")
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return ""
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def find_separator_device(G: nx.DiGraph, vessel: str) -> str:
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"""查找分离器设备，支持多种查找方式"""
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debug_print(f"🔍 正在查找容器 '{vessel}' 的分离器设备...")
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# 方法1：查找连接到容器的分离器设备
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debug_print(f"📋 方法1: 检查连接的分离器...")
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separator_nodes = []
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for node in G.nodes():
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node_class = G.nodes[node].get('class', '').lower()
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if 'separator' in node_class:
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separator_nodes.append(node)
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debug_print(f"📋 发现分离器设备: {node}")
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# 检查是否连接到目标容器
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if G.has_edge(node, vessel) or G.has_edge(vessel, node):
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debug_print(f"✅ 找到连接的分离器: {node}")
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return node
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debug_print(f"📊 找到的分离器总数: {len(separator_nodes)}")
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# 方法2：根据命名规则查找
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debug_print(f"📋 方法2: 使用命名规则...")
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possible_names = [
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f"{vessel}_controller",
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f"{vessel}_separator",
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vessel, # 容器本身可能就是分离器
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"separator_1",
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"virtual_separator",
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"liquid_handler_1", # 液体处理器也可能用于分离
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"controller_1"
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]
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debug_print(f"🎯 尝试的分离器名称: {possible_names}")
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for name in possible_names:
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if name in G.nodes():
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node_class = G.nodes[name].get('class', '').lower()
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if 'separator' in node_class or 'controller' in node_class:
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debug_print(f"✅ 通过命名规则找到分离器: {name}")
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return name
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# 方法3：查找第一个分离器设备
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debug_print(f"📋 方法3: 使用第一个可用分离器...")
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if separator_nodes:
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debug_print(f"⚠️ 使用第一个分离器设备: {separator_nodes[0]}")
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return separator_nodes[0]
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debug_print(f"❌ 未找到分离器设备")
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return ""
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def find_connected_stirrer(G: nx.DiGraph, vessel: str) -> str:
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"""查找连接到指定容器的搅拌器"""
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debug_print(f"🔍 正在查找与容器 {vessel} 连接的搅拌器...")
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stirrer_nodes = []
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for node in G.nodes():
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node_data = G.nodes[node]
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node_class = node_data.get('class', '') or ''
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if 'stirrer' in node_class.lower():
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stirrer_nodes.append(node)
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debug_print(f"📋 发现搅拌器: {node}")
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debug_print(f"📊 找到的搅拌器总数: {len(stirrer_nodes)}")
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# 检查哪个搅拌器与目标容器相连
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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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# 如果没有连接的搅拌器，返回第一个可用的
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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，使用第一个可用的: {stirrer_nodes[0]}")
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return stirrer_nodes[0]
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debug_print("❌ 未找到搅拌器")
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return ""
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def generate_separate_protocol(
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G: nx.DiGraph,
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purpose: str, # 'wash' or 'extract'. 'wash' means that product phase will not be the added solvent phase, 'extract' means product phase will be the added solvent phase. If no solvent is added just use 'extract'.
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product_phase: str, # 'top' or 'bottom'. Phase that product will be in.
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from_vessel: str, #Contents of from_vessel are transferred to separation_vessel and separation is performed.
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separation_vessel: str, # Vessel in which separation of phases will be carried out.
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to_vessel: str, # Vessel to send product phase to.
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waste_phase_to_vessel: str, # Optional. Vessel to send waste phase to.
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solvent: str, # Optional. Solvent to add to separation vessel after contents of from_vessel has been transferred to create two phases.
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solvent_volume: float = 50, # Optional. Volume of solvent to add (mL).
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through: str = "", # Optional. Solid chemical to send product phase through on way to to_vessel, e.g. 'celite'.
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repeats: int = 1, # Optional. Number of separations to perform.
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stir_time: float = 30, # Optional. Time stir for after adding solvent, before separation of phases.
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stir_speed: float = 300, # Optional. Speed to stir at after adding solvent, before separation of phases.
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settling_time: float = 300 # Optional. Time
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) -> list[dict]:
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G: nx.DiGraph,
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# 🔧 基础参数，支持XDL的vessel参数
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vessel: str = "", # XDL: 分离容器
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purpose: str = "separate", # 分离目的
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product_phase: str = "top", # 产物相
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# 🔧 可选的详细参数
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from_vessel: str = "", # 源容器（通常在separate前已经transfer了）
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separation_vessel: str = "", # 分离容器（与vessel同义）
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to_vessel: str = "", # 目标容器（可选）
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waste_phase_to_vessel: str = "", # 废相目标容器
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product_vessel: str = "", # XDL: 产物容器（与to_vessel同义）
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waste_vessel: str = "", # XDL: 废液容器（与waste_phase_to_vessel同义）
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# 🔧 溶剂相关参数
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solvent: str = "", # 溶剂名称
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solvent_volume: Union[str, float] = 0.0, # 溶剂体积
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volume: Union[str, float] = 0.0, # XDL: 体积（与solvent_volume同义）
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# 🔧 操作参数
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through: str = "", # 通过材料
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repeats: int = 1, # 重复次数
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stir_time: float = 30.0, # 搅拌时间（秒）
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stir_speed: float = 300.0, # 搅拌速度
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settling_time: float = 300.0, # 沉降时间（秒）
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**kwargs
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) -> List[Dict[str, Any]]:
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"""
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Generate a protocol to clean a vessel with a solvent.
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生成分离操作的协议序列 - 增强中文版
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:param G: Directed graph. Nodes are containers and pumps, edges are fluidic connections.
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:param vessel: Vessel to clean.
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:param solvent: Solvent to clean vessel with.
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:param volume: Volume of solvent to clean vessel with.
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:param temp: Temperature to heat vessel to while cleaning.
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:param repeats: Number of cleaning cycles to perform.
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:return: List of actions to clean vessel.
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支持XDL参数格式：
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- vessel: 分离容器（必需）
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- purpose: "wash", "extract", "separate"
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- product_phase: "top", "bottom"
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- product_vessel: 产物收集容器
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- waste_vessel: 废液收集容器
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- solvent: 溶剂名称
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- volume: "200 mL", "?" 或数值
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- repeats: 重复次数
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分离流程：
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1. （可选）添加溶剂到分离容器
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2. 搅拌混合
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3. 静置分层
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4. 收集指定相到目标容器
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5. 重复指定次数
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"""
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# 生成泵操作的动作序列
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pump_action_sequence = []
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reactor_volume = 500.0
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waste_vessel = waste_phase_to_vessel
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debug_print("=" * 60)
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debug_print("🧪 开始生成分离协议 - 增强中文版")
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debug_print(f"📋 原始参数:")
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debug_print(f" 🥼 容器: '{vessel}'")
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debug_print(f" 🎯 分离目的: '{purpose}'")
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debug_print(f" 📊 产物相: '{product_phase}'")
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debug_print(f" 💧 溶剂: '{solvent}'")
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debug_print(f" 📏 体积: {volume} (类型: {type(volume)})")
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debug_print(f" 🔄 重复次数: {repeats}")
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debug_print(f" 🎯 产物容器: '{product_vessel}'")
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debug_print(f" 🗑️ 废液容器: '{waste_vessel}'")
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debug_print(f" 📦 其他参数: {kwargs}")
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debug_print("=" * 60)
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# TODO：通过物料管理系统找到溶剂的容器
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if "," in solvent:
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solvents = solvent.split(",")
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assert len(solvents) == repeats, "Number of solvents must match number of repeats."
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action_sequence = []
|
||||
|
||||
# === 参数验证和标准化 ===
|
||||
debug_print("🔍 步骤1: 参数验证和标准化...")
|
||||
action_sequence.append(create_action_log(f"开始分离操作 - 容器: {vessel}", "🎬"))
|
||||
action_sequence.append(create_action_log(f"分离目的: {purpose}", "🧪"))
|
||||
action_sequence.append(create_action_log(f"产物相: {product_phase}", "📊"))
|
||||
|
||||
# 统一容器参数
|
||||
final_vessel = vessel or separation_vessel
|
||||
if not final_vessel:
|
||||
debug_print("❌ 必须指定分离容器")
|
||||
raise ValueError("必须指定分离容器 (vessel 或 separation_vessel)")
|
||||
|
||||
final_to_vessel = to_vessel or product_vessel
|
||||
final_waste_vessel = waste_phase_to_vessel or waste_vessel
|
||||
|
||||
# 统一体积参数
|
||||
final_volume = parse_volume_input(volume or solvent_volume)
|
||||
|
||||
# 🔧 修复：确保repeats至少为1
|
||||
if repeats <= 0:
|
||||
repeats = 1
|
||||
debug_print(f"⚠️ 重复次数参数 <= 0，自动设置为 1")
|
||||
|
||||
debug_print(f"🔧 标准化后的参数:")
|
||||
debug_print(f" 🥼 分离容器: '{final_vessel}'")
|
||||
debug_print(f" 🎯 产物容器: '{final_to_vessel}'")
|
||||
debug_print(f" 🗑️ 废液容器: '{final_waste_vessel}'")
|
||||
debug_print(f" 📏 溶剂体积: {final_volume}mL")
|
||||
debug_print(f" 🔄 重复次数: {repeats}")
|
||||
|
||||
action_sequence.append(create_action_log(f"分离容器: {final_vessel}", "🧪"))
|
||||
action_sequence.append(create_action_log(f"溶剂体积: {final_volume}mL", "📏"))
|
||||
action_sequence.append(create_action_log(f"重复次数: {repeats}", "🔄"))
|
||||
|
||||
# 验证必需参数
|
||||
if not purpose:
|
||||
purpose = "separate"
|
||||
if not product_phase:
|
||||
product_phase = "top"
|
||||
if purpose not in ["wash", "extract", "separate"]:
|
||||
debug_print(f"⚠️ 未知的分离目的 '{purpose}'，使用默认值 'separate'")
|
||||
purpose = "separate"
|
||||
action_sequence.append(create_action_log(f"未知目的，使用: {purpose}", "⚠️"))
|
||||
if product_phase not in ["top", "bottom"]:
|
||||
debug_print(f"⚠️ 未知的产物相 '{product_phase}'，使用默认值 'top'")
|
||||
product_phase = "top"
|
||||
action_sequence.append(create_action_log(f"未知相别，使用: {product_phase}", "⚠️"))
|
||||
|
||||
debug_print("✅ 参数验证通过")
|
||||
action_sequence.append(create_action_log("参数验证通过", "✅"))
|
||||
|
||||
# === 查找设备 ===
|
||||
debug_print("🔍 步骤2: 查找设备...")
|
||||
action_sequence.append(create_action_log("正在查找相关设备...", "🔍"))
|
||||
|
||||
# 查找分离器设备
|
||||
separator_device = find_separator_device(G, final_vessel)
|
||||
if separator_device:
|
||||
action_sequence.append(create_action_log(f"找到分离器设备: {separator_device}", "🧪"))
|
||||
else:
|
||||
solvents = [solvent] * repeats
|
||||
debug_print("⚠️ 未找到分离器设备，可能无法执行分离")
|
||||
action_sequence.append(create_action_log("未找到分离器设备", "⚠️"))
|
||||
|
||||
# TODO: 通过设备连接图找到分离容器的控制器、底部出口
|
||||
separator_controller = f"{separation_vessel}_controller"
|
||||
separation_vessel_bottom = f"flask_{separation_vessel}"
|
||||
# 查找搅拌器
|
||||
stirrer_device = find_connected_stirrer(G, final_vessel)
|
||||
if stirrer_device:
|
||||
action_sequence.append(create_action_log(f"找到搅拌器: {stirrer_device}", "🌪️"))
|
||||
else:
|
||||
action_sequence.append(create_action_log("未找到搅拌器", "⚠️"))
|
||||
|
||||
transfer_flowrate = flowrate = 2.5
|
||||
# 查找溶剂容器（如果需要）
|
||||
solvent_vessel = ""
|
||||
if solvent and solvent.strip():
|
||||
solvent_vessel = find_solvent_vessel(G, solvent)
|
||||
if solvent_vessel:
|
||||
action_sequence.append(create_action_log(f"找到溶剂容器: {solvent_vessel}", "💧"))
|
||||
else:
|
||||
action_sequence.append(create_action_log(f"未找到溶剂容器: {solvent}", "⚠️"))
|
||||
|
||||
if from_vessel != separation_vessel:
|
||||
pump_action_sequence.append(
|
||||
{
|
||||
"device_id": "",
|
||||
"action_name": "PumpTransferProtocol",
|
||||
"action_kwargs": {
|
||||
"from_vessel": from_vessel,
|
||||
"to_vessel": separation_vessel,
|
||||
"volume": reactor_volume,
|
||||
"time": reactor_volume / flowrate,
|
||||
# "transfer_flowrate": transfer_flowrate,
|
||||
debug_print(f"📊 设备配置:")
|
||||
debug_print(f" 🧪 分离器设备: '{separator_device}'")
|
||||
debug_print(f" 🌪️ 搅拌器设备: '{stirrer_device}'")
|
||||
debug_print(f" 💧 溶剂容器: '{solvent_vessel}'")
|
||||
|
||||
# === 执行分离流程 ===
|
||||
debug_print("🔍 步骤3: 执行分离流程...")
|
||||
action_sequence.append(create_action_log("开始分离工作流程", "🎯"))
|
||||
|
||||
try:
|
||||
for repeat_idx in range(repeats):
|
||||
cycle_num = repeat_idx + 1
|
||||
debug_print(f"🔄 第{cycle_num}轮: 开始分离循环 {cycle_num}/{repeats}")
|
||||
action_sequence.append(create_action_log(f"分离循环 {cycle_num}/{repeats} 开始", "🔄"))
|
||||
|
||||
# 步骤3.1: 添加溶剂（如果需要）
|
||||
if solvent_vessel and final_volume > 0:
|
||||
debug_print(f"🔄 第{cycle_num}轮 步骤1: 添加溶剂 {solvent} ({final_volume}mL)")
|
||||
action_sequence.append(create_action_log(f"向分离容器添加 {final_volume}mL {solvent}", "💧"))
|
||||
|
||||
try:
|
||||
# 使用pump protocol添加溶剂
|
||||
pump_actions = generate_pump_protocol_with_rinsing(
|
||||
G=G,
|
||||
from_vessel=solvent_vessel,
|
||||
to_vessel=final_vessel,
|
||||
volume=final_volume,
|
||||
amount="",
|
||||
time=0.0,
|
||||
viscous=False,
|
||||
rinsing_solvent="",
|
||||
rinsing_volume=0.0,
|
||||
rinsing_repeats=0,
|
||||
solid=False,
|
||||
flowrate=2.5,
|
||||
transfer_flowrate=0.5,
|
||||
rate_spec="",
|
||||
event="",
|
||||
through="",
|
||||
**kwargs
|
||||
)
|
||||
action_sequence.extend(pump_actions)
|
||||
debug_print(f"✅ 溶剂添加完成，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)", "✅"))
|
||||
|
||||
except Exception as e:
|
||||
debug_print(f"❌ 溶剂添加失败: {str(e)}")
|
||||
action_sequence.append(create_action_log(f"溶剂添加失败: {str(e)}", "❌"))
|
||||
else:
|
||||
debug_print(f"🔄 第{cycle_num}轮 步骤1: 无需添加溶剂")
|
||||
action_sequence.append(create_action_log("无需添加溶剂", "⏭️"))
|
||||
|
||||
# 步骤3.2: 启动搅拌（如果有搅拌器）
|
||||
if stirrer_device and stir_time > 0:
|
||||
debug_print(f"🔄 第{cycle_num}轮 步骤2: 开始搅拌 ({stir_speed}rpm，持续 {stir_time}s)")
|
||||
action_sequence.append(create_action_log(f"开始搅拌: {stir_speed}rpm，持续 {stir_time}s", "🌪️"))
|
||||
|
||||
action_sequence.append({
|
||||
"device_id": stirrer_device,
|
||||
"action_name": "start_stir",
|
||||
"action_kwargs": {
|
||||
"vessel": final_vessel,
|
||||
"stir_speed": stir_speed,
|
||||
"purpose": f"分离混合 - {purpose}"
|
||||
}
|
||||
})
|
||||
|
||||
# 搅拌等待
|
||||
stir_minutes = stir_time / 60
|
||||
action_sequence.append(create_action_log(f"搅拌中，持续 {stir_minutes:.1f} 分钟", "⏱️"))
|
||||
action_sequence.append({
|
||||
"action_name": "wait",
|
||||
"action_kwargs": {"time": stir_time}
|
||||
})
|
||||
|
||||
# 停止搅拌
|
||||
action_sequence.append(create_action_log("停止搅拌器", "🛑"))
|
||||
action_sequence.append({
|
||||
"device_id": stirrer_device,
|
||||
"action_name": "stop_stir",
|
||||
"action_kwargs": {"vessel": final_vessel}
|
||||
})
|
||||
|
||||
else:
|
||||
debug_print(f"🔄 第{cycle_num}轮 步骤2: 无需搅拌")
|
||||
action_sequence.append(create_action_log("无需搅拌", "⏭️"))
|
||||
|
||||
# 步骤3.3: 静置分层
|
||||
if settling_time > 0:
|
||||
debug_print(f"🔄 第{cycle_num}轮 步骤3: 静置分层 ({settling_time}s)")
|
||||
settling_minutes = settling_time / 60
|
||||
action_sequence.append(create_action_log(f"静置分层 ({settling_minutes:.1f} 分钟)", "⚖️"))
|
||||
action_sequence.append({
|
||||
"action_name": "wait",
|
||||
"action_kwargs": {"time": settling_time}
|
||||
})
|
||||
else:
|
||||
debug_print(f"🔄 第{cycle_num}轮 步骤3: 未指定静置时间")
|
||||
action_sequence.append(create_action_log("未指定静置时间", "⏭️"))
|
||||
|
||||
# 步骤3.4: 执行分离操作
|
||||
if separator_device:
|
||||
debug_print(f"🔄 第{cycle_num}轮 步骤4: 执行分离操作")
|
||||
action_sequence.append(create_action_log(f"执行分离: 收集{product_phase}相", "🧪"))
|
||||
|
||||
# 调用分离器设备的separate方法
|
||||
separate_action = {
|
||||
"device_id": separator_device,
|
||||
"action_name": "separate",
|
||||
"action_kwargs": {
|
||||
"purpose": purpose,
|
||||
"product_phase": product_phase,
|
||||
"from_vessel": from_vessel or final_vessel,
|
||||
"separation_vessel": final_vessel,
|
||||
"to_vessel": final_to_vessel or final_vessel,
|
||||
"waste_phase_to_vessel": final_waste_vessel or final_vessel,
|
||||
"solvent": solvent,
|
||||
"solvent_volume": final_volume,
|
||||
"through": through,
|
||||
"repeats": 1, # 每次调用只做一次分离
|
||||
"stir_time": 0, # 已经在上面完成
|
||||
"stir_speed": stir_speed,
|
||||
"settling_time": 0 # 已经在上面完成
|
||||
}
|
||||
}
|
||||
action_sequence.append(separate_action)
|
||||
debug_print(f"✅ 分离操作已添加")
|
||||
action_sequence.append(create_action_log("分离操作完成", "✅"))
|
||||
|
||||
# 收集结果
|
||||
if final_to_vessel:
|
||||
action_sequence.append(create_action_log(f"产物 ({product_phase}相) 收集到: {final_to_vessel}", "📦"))
|
||||
if final_waste_vessel:
|
||||
action_sequence.append(create_action_log(f"废相收集到: {final_waste_vessel}", "🗑️"))
|
||||
|
||||
else:
|
||||
debug_print(f"🔄 第{cycle_num}轮 步骤4: 无分离器设备，跳过分离")
|
||||
action_sequence.append(create_action_log("无分离器设备可用", "❌"))
|
||||
# 添加等待时间模拟分离
|
||||
action_sequence.append({
|
||||
"action_name": "wait",
|
||||
"action_kwargs": {"time": 10.0}
|
||||
})
|
||||
|
||||
# 循环间等待（除了最后一次）
|
||||
if repeat_idx < repeats - 1:
|
||||
debug_print(f"🔄 第{cycle_num}轮: 等待下一次循环...")
|
||||
action_sequence.append(create_action_log("等待下一次循环...", "⏳"))
|
||||
action_sequence.append({
|
||||
"action_name": "wait",
|
||||
"action_kwargs": {"time": 5}
|
||||
})
|
||||
else:
|
||||
action_sequence.append(create_action_log(f"分离循环 {cycle_num}/{repeats} 完成", "🌟"))
|
||||
|
||||
except Exception as e:
|
||||
debug_print(f"❌ 分离工作流程执行失败: {str(e)}")
|
||||
action_sequence.append(create_action_log(f"分离工作流程失败: {str(e)}", "❌"))
|
||||
# 添加错误日志
|
||||
action_sequence.append({
|
||||
"device_id": "system",
|
||||
"action_name": "log_message",
|
||||
"action_kwargs": {
|
||||
"message": f"分离操作失败: {str(e)}"
|
||||
}
|
||||
)
|
||||
|
||||
# for i in range(2):
|
||||
# pump_action_sequence.append(
|
||||
# {
|
||||
# "device_id": "",
|
||||
# "action_name": "CleanProtocol",
|
||||
# "action_kwargs": {
|
||||
# "vessel": from_vessel,
|
||||
# "solvent": "H2O", # Solvent to clean vessel with.
|
||||
# "volume": solvent_volume, # Optional. Volume of solvent to clean vessel with.
|
||||
# "temp": 25.0, # Optional. Temperature to heat vessel to while cleaning.
|
||||
# "repeats": 1
|
||||
# }
|
||||
# }
|
||||
# )
|
||||
# pump_action_sequence.append(
|
||||
# {
|
||||
# "device_id": "",
|
||||
# "action_name": "CleanProtocol",
|
||||
# "action_kwargs": {
|
||||
# "vessel": from_vessel,
|
||||
# "solvent": "CH2Cl2", # Solvent to clean vessel with.
|
||||
# "volume": solvent_volume, # Optional. Volume of solvent to clean vessel with.
|
||||
# "temp": 25.0, # Optional. Temperature to heat vessel to while cleaning.
|
||||
# "repeats": 1
|
||||
# }
|
||||
# }
|
||||
# )
|
||||
})
|
||||
|
||||
# 生成泵操作的动作序列
|
||||
for i in range(repeats):
|
||||
# 找到当次萃取所用溶剂
|
||||
solvent_thistime = solvents[i]
|
||||
solvent_vessel = f"flask_{solvent_thistime}"
|
||||
|
||||
pump_action_sequence.append(
|
||||
{
|
||||
"device_id": "",
|
||||
"action_name": "PumpTransferProtocol",
|
||||
"action_kwargs": {
|
||||
"from_vessel": solvent_vessel,
|
||||
"to_vessel": separation_vessel,
|
||||
"volume": solvent_volume,
|
||||
"time": solvent_volume / flowrate,
|
||||
# "transfer_flowrate": transfer_flowrate,
|
||||
}
|
||||
}
|
||||
)
|
||||
pump_action_sequence.extend([
|
||||
# 搅拌、静置
|
||||
{
|
||||
"device_id": separator_controller,
|
||||
"action_name": "stir",
|
||||
"action_kwargs": {
|
||||
"stir_time": stir_time,
|
||||
"stir_speed": stir_speed,
|
||||
"settling_time": settling_time
|
||||
}
|
||||
},
|
||||
# 分液（判断电导突跃）
|
||||
{
|
||||
"device_id": separator_controller,
|
||||
"action_name": "valve_open",
|
||||
"action_kwargs": {
|
||||
"command": "delta > 0.05"
|
||||
}
|
||||
}
|
||||
])
|
||||
|
||||
if product_phase == "bottom":
|
||||
# 产物转移到目标瓶
|
||||
pump_action_sequence.append(
|
||||
{
|
||||
"device_id": "",
|
||||
"action_name": "PumpTransferProtocol",
|
||||
"action_kwargs": {
|
||||
"from_vessel": separation_vessel_bottom,
|
||||
"to_vessel": to_vessel,
|
||||
"volume": 250.0,
|
||||
"time": 250.0 / flowrate,
|
||||
# "transfer_flowrate": transfer_flowrate,
|
||||
}
|
||||
}
|
||||
)
|
||||
# 放出上面那一相，60秒后关阀门
|
||||
pump_action_sequence.append(
|
||||
{
|
||||
"device_id": separator_controller,
|
||||
"action_name": "valve_open",
|
||||
"action_kwargs": {
|
||||
"command": "time > 60"
|
||||
}
|
||||
}
|
||||
)
|
||||
# 弃去上面那一相进废液
|
||||
pump_action_sequence.append(
|
||||
{
|
||||
"device_id": "",
|
||||
"action_name": "PumpTransferProtocol",
|
||||
"action_kwargs": {
|
||||
"from_vessel": separation_vessel_bottom,
|
||||
"to_vessel": waste_vessel,
|
||||
"volume": 250.0,
|
||||
"time": 250.0 / flowrate,
|
||||
# "transfer_flowrate": transfer_flowrate,
|
||||
}
|
||||
}
|
||||
)
|
||||
elif product_phase == "top":
|
||||
# 弃去下面那一相进废液
|
||||
pump_action_sequence.append(
|
||||
{
|
||||
"device_id": "",
|
||||
"action_name": "PumpTransferProtocol",
|
||||
"action_kwargs": {
|
||||
"from_vessel": separation_vessel_bottom,
|
||||
"to_vessel": waste_vessel,
|
||||
"volume": 250.0,
|
||||
"time": 250.0 / flowrate,
|
||||
# "transfer_flowrate": transfer_flowrate,
|
||||
}
|
||||
}
|
||||
)
|
||||
# 放出上面那一相
|
||||
pump_action_sequence.append(
|
||||
{
|
||||
"device_id": separator_controller,
|
||||
"action_name": "valve_open",
|
||||
"action_kwargs": {
|
||||
"command": "time > 60"
|
||||
}
|
||||
}
|
||||
)
|
||||
# 产物转移到目标瓶
|
||||
pump_action_sequence.append(
|
||||
{
|
||||
"device_id": "",
|
||||
"action_name": "PumpTransferProtocol",
|
||||
"action_kwargs": {
|
||||
"from_vessel": separation_vessel_bottom,
|
||||
"to_vessel": to_vessel,
|
||||
"volume": 250.0,
|
||||
"time": 250.0 / flowrate,
|
||||
# "transfer_flowrate": transfer_flowrate,
|
||||
}
|
||||
}
|
||||
)
|
||||
elif product_phase == "organic":
|
||||
pass
|
||||
|
||||
# 如果不是最后一次，从中转瓶转移回分液漏斗
|
||||
if i < repeats - 1:
|
||||
pump_action_sequence.append(
|
||||
{
|
||||
"device_id": "",
|
||||
"action_name": "PumpTransferProtocol",
|
||||
"action_kwargs": {
|
||||
"from_vessel": to_vessel,
|
||||
"to_vessel": separation_vessel,
|
||||
"volume": 250.0,
|
||||
"time": 250.0 / flowrate,
|
||||
# "transfer_flowrate": transfer_flowrate,
|
||||
}
|
||||
}
|
||||
)
|
||||
return pump_action_sequence
|
||||
# === 最终结果 ===
|
||||
total_time = (stir_time + settling_time + 15) * repeats # 估算总时间
|
||||
|
||||
debug_print("=" * 60)
|
||||
debug_print(f"🎉 分离协议生成完成")
|
||||
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" 🥼 分离容器: {final_vessel}")
|
||||
debug_print(f" 🎯 分离目的: {purpose}")
|
||||
debug_print(f" 📊 产物相: {product_phase}")
|
||||
debug_print(f" 🔄 重复次数: {repeats}")
|
||||
if solvent:
|
||||
debug_print(f" 💧 溶剂: {solvent} ({final_volume}mL)")
|
||||
if final_to_vessel:
|
||||
debug_print(f" 🎯 产物容器: {final_to_vessel}")
|
||||
if final_waste_vessel:
|
||||
debug_print(f" 🗑️ 废液容器: {final_waste_vessel}")
|
||||
debug_print("=" * 60)
|
||||
|
||||
# 添加完成日志
|
||||
summary_msg = f"分离协议完成: {final_vessel} ({purpose}，{repeats} 次循环)"
|
||||
if solvent:
|
||||
summary_msg += f"，使用 {final_volume}mL {solvent}"
|
||||
action_sequence.append(create_action_log(summary_msg, "🎉"))
|
||||
|
||||
return action_sequence
|
||||
|
||||
# === 便捷函数 ===
|
||||
|
||||
def separate_phases_only(G: nx.DiGraph, vessel: str, product_phase: str = "top",
|
||||
product_vessel: str = "", waste_vessel: str = "") -> List[Dict[str, Any]]:
|
||||
"""仅进行相分离（不添加溶剂）"""
|
||||
debug_print(f"⚡ 快速相分离: {vessel} ({product_phase}相)")
|
||||
return generate_separate_protocol(
|
||||
G, vessel=vessel,
|
||||
purpose="separate",
|
||||
product_phase=product_phase,
|
||||
product_vessel=product_vessel,
|
||||
waste_vessel=waste_vessel
|
||||
)
|
||||
|
||||
def wash_with_solvent(G: nx.DiGraph, vessel: str, solvent: str, volume: Union[str, float],
|
||||
product_phase: str = "top", repeats: int = 1) -> List[Dict[str, Any]]:
|
||||
"""用溶剂洗涤"""
|
||||
debug_print(f"🧽 用{solvent}洗涤: {vessel} ({repeats} 次)")
|
||||
return generate_separate_protocol(
|
||||
G, vessel=vessel,
|
||||
purpose="wash",
|
||||
product_phase=product_phase,
|
||||
solvent=solvent,
|
||||
volume=volume,
|
||||
repeats=repeats
|
||||
)
|
||||
|
||||
def extract_with_solvent(G: nx.DiGraph, vessel: str, solvent: str, volume: Union[str, float],
|
||||
product_phase: str = "bottom", repeats: int = 3) -> List[Dict[str, Any]]:
|
||||
"""用溶剂萃取"""
|
||||
debug_print(f"🧪 用{solvent}萃取: {vessel} ({repeats} 次)")
|
||||
return generate_separate_protocol(
|
||||
G, vessel=vessel,
|
||||
purpose="extract",
|
||||
product_phase=product_phase,
|
||||
solvent=solvent,
|
||||
volume=volume,
|
||||
repeats=repeats
|
||||
)
|
||||
|
||||
def separate_aqueous_organic(G: nx.DiGraph, vessel: str, organic_phase: str = "top",
|
||||
product_vessel: str = "", waste_vessel: str = "") -> List[Dict[str, Any]]:
|
||||
"""水-有机相分离"""
|
||||
debug_print(f"💧 水-有机相分离: {vessel} (有机相: {organic_phase})")
|
||||
return generate_separate_protocol(
|
||||
G, vessel=vessel,
|
||||
purpose="separate",
|
||||
product_phase=organic_phase,
|
||||
product_vessel=product_vessel,
|
||||
waste_vessel=waste_vessel
|
||||
)
|
||||
|
||||
# 测试函数
|
||||
def test_separate_protocol():
|
||||
"""测试分离协议的各种参数解析"""
|
||||
debug_print("=== 分离协议增强中文版测试 ===")
|
||||
|
||||
# 测试体积解析
|
||||
debug_print("🧪 测试体积解析...")
|
||||
volumes = ["200 mL", "?", 100.0, "1 L", "500 μL", "未知", "50毫升"]
|
||||
for vol in volumes:
|
||||
result = parse_volume_input(vol)
|
||||
debug_print(f"📊 体积解析结果: {vol} -> {result}mL")
|
||||
|
||||
debug_print("✅ 测试完成")
|
||||
|
||||
if __name__ == "__main__":
|
||||
test_separate_protocol()
|
||||
|
||||
Reference in New Issue
Block a user