添加了固体加样器,丰富了json,修改了add protocol

This commit is contained in:
KCFeng425
2025-07-07 18:35:35 +08:00
parent 5767266563
commit ab2ab7fcc7
6 changed files with 926 additions and 746 deletions

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@@ -4,389 +4,92 @@ from .pump_protocol import generate_pump_protocol_with_rinsing
def find_reagent_vessel(G: nx.DiGraph, reagent: str) -> str:
"""
根据试剂名称查找对应的试剂瓶,支持多种匹配模式:
1. 容器名称匹配(如 flask_DMF, reagent_bottle_1-DMF
2. 容器内液体类型匹配(如 liquid_type: "DMF", name: "ethanol"
3. 试剂名称匹配(如 reagent_name: "DMF", config.reagent: "ethyl_acetate"
"""增强版试剂容器查找,支持固体和液体"""
print(f"ADD_PROTOCOL: 查找试剂 '{reagent}' 的容器...")
Args:
G: 网络图
reagent: 试剂名称
Returns:
str: 试剂瓶的vessel ID
Raises:
ValueError: 如果找不到对应的试剂瓶
"""
print(f"ADD_PROTOCOL: 正在查找试剂 '{reagent}' 的容器...")
# 第一步:通过容器名称匹配
# 1. 直接名称匹配
possible_names = [
f"flask_{reagent}", # flask_DMF, flask_ethanol
f"bottle_{reagent}", # bottle_DMF, bottle_ethanol
f"vessel_{reagent}", # vessel_DMF, vessel_ethanol
f"{reagent}_flask", # DMF_flask, ethanol_flask
f"{reagent}_bottle", # DMF_bottle, ethanol_bottle
f"{reagent}", # 直接用试剂名
f"reagent_{reagent}", # reagent_DMF, reagent_ethanol
f"reagent_bottle_{reagent}", # reagent_bottle_DMF
reagent,
f"flask_{reagent}",
f"bottle_{reagent}",
f"vessel_{reagent}",
f"{reagent}_flask",
f"{reagent}_bottle",
f"reagent_{reagent}",
f"reagent_bottle_{reagent}",
f"solid_reagent_bottle_{reagent}", # 🔧 添加固体试剂瓶匹配
]
# 尝试名称匹配
for vessel_name in possible_names:
if vessel_name in G.nodes():
print(f"ADD_PROTOCOL: 通过名称匹配找到容器: {vessel_name}")
return vessel_name
for name in possible_names:
if name in G.nodes():
print(f"ADD_PROTOCOL: 找到容器: {name}")
return name
# 第二步:通过模糊名称匹配(名称中包含试剂名)
# 2. 模糊匹配 - 检查容器数据
for node_id in G.nodes():
if G.nodes[node_id].get('type') == 'container':
# 检查节点ID或名称中是否包含试剂名
node_name = G.nodes[node_id].get('name', '').lower()
if (reagent.lower() in node_id.lower() or
reagent.lower() in node_name):
print(f"ADD_PROTOCOL: 通过模糊名称匹配找到容器: {node_id} (名称: {node_name})")
node_data = G.nodes[node_id]
if node_data.get('type') == 'container':
# 检查配置中的试剂名称
config_reagent = node_data.get('config', {}).get('reagent', '')
data_reagent = node_data.get('data', {}).get('reagent_name', '')
# 名称匹配
if (config_reagent.lower() == reagent.lower() or
data_reagent.lower() == reagent.lower() or
reagent.lower() in node_id.lower()):
print(f"ADD_PROTOCOL: 模糊匹配到容器: {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', {})
# 液体类型匹配(保持原有逻辑)
vessel_data = node_data.get('data', {})
liquids = vessel_data.get('liquid', [])
for liquid in liquids:
if isinstance(liquid, dict):
# 支持两种格式的液体类型字段
liquid_type = liquid.get('liquid_type') or liquid.get('name', '')
reagent_name = vessel_data.get('reagent_name', '')
config_reagent = G.nodes[node_id].get('config', {}).get('reagent', '')
# 检查多个可能的字段
if (liquid_type.lower() == reagent.lower() or
reagent_name.lower() == reagent.lower() or
config_reagent.lower() == reagent.lower()):
print(f"ADD_PROTOCOL: 通过液体类型匹配找到容器: {node_id}")
print(f" - liquid_type: {liquid_type}")
print(f" - reagent_name: {reagent_name}")
print(f" - config.reagent: {config_reagent}")
return node_id
# 第四步:列出所有可用的容器信息帮助调试
available_containers = []
for node_id in G.nodes():
if G.nodes[node_id].get('type') == 'container':
vessel_data = G.nodes[node_id].get('data', {})
config_data = G.nodes[node_id].get('config', {})
liquids = vessel_data.get('liquid', [])
container_info = {
'id': node_id,
'name': G.nodes[node_id].get('name', ''),
'liquid_types': [],
'reagent_name': vessel_data.get('reagent_name', ''),
'config_reagent': config_data.get('reagent', '')
}
for liquid in liquids:
if isinstance(liquid, dict):
liquid_type = liquid.get('liquid_type') or liquid.get('name', '')
if liquid_type:
container_info['liquid_types'].append(liquid_type)
available_containers.append(container_info)
print(f"ADD_PROTOCOL: 可用容器列表:")
for container in available_containers:
print(f" - {container['id']}: {container['name']}")
print(f" 液体类型: {container['liquid_types']}")
print(f" 试剂名称: {container['reagent_name']}")
print(f" 配置试剂: {container['config_reagent']}")
raise ValueError(f"找不到试剂 '{reagent}' 对应的试剂瓶。尝试了名称匹配: {possible_names}")
def find_reagent_vessel_by_any_match(G: nx.DiGraph, reagent: str) -> str:
"""
增强版试剂容器查找,支持各种匹配方式的别名函数
"""
return find_reagent_vessel(G, reagent)
def get_vessel_reagent_volume(G: nx.DiGraph, vessel: str) -> float:
"""获取容器中的试剂体积"""
if vessel not in G.nodes():
return 0.0
vessel_data = G.nodes[vessel].get('data', {})
liquids = vessel_data.get('liquid', [])
total_volume = 0.0
for liquid in liquids:
if isinstance(liquid, dict):
# 支持两种格式:新格式 (name, volume) 和旧格式 (liquid_type, liquid_volume)
volume = liquid.get('volume') or liquid.get('liquid_volume', 0.0)
total_volume += volume
return total_volume
def get_vessel_reagent_types(G: nx.DiGraph, vessel: str) -> List[str]:
"""获取容器中所有试剂的类型"""
if vessel not in G.nodes():
return []
vessel_data = G.nodes[vessel].get('data', {})
liquids = vessel_data.get('liquid', [])
reagent_types = []
for liquid in liquids:
if isinstance(liquid, dict):
# 支持两种格式的试剂类型字段
reagent_type = liquid.get('liquid_type') or liquid.get('name', '')
if reagent_type:
reagent_types.append(reagent_type)
# 同时检查配置中的试剂信息
config_reagent = G.nodes[vessel].get('config', {}).get('reagent', '')
reagent_name = vessel_data.get('reagent_name', '')
if config_reagent and config_reagent not in reagent_types:
reagent_types.append(config_reagent)
if reagent_name and reagent_name not in reagent_types:
reagent_types.append(reagent_name)
return reagent_types
def find_vessels_by_reagent(G: nx.DiGraph, reagent: str) -> List[str]:
"""
根据试剂类型查找所有匹配的容器
返回匹配容器的ID列表
"""
matching_vessels = []
for node_id in G.nodes():
if G.nodes[node_id].get('type') == 'container':
# 检查容器名称匹配
node_name = G.nodes[node_id].get('name', '').lower()
if reagent.lower() in node_id.lower() or reagent.lower() in node_name:
matching_vessels.append(node_id)
continue
# 检查试剂类型匹配
vessel_data = G.nodes[node_id].get('data', {})
liquids = vessel_data.get('liquid', [])
config_data = G.nodes[node_id].get('config', {})
# 检查 reagent_name 和 config.reagent
reagent_name = vessel_data.get('reagent_name', '').lower()
config_reagent = config_data.get('reagent', '').lower()
if (reagent.lower() == reagent_name or
reagent.lower() == config_reagent):
matching_vessels.append(node_id)
continue
# 检查液体列表
for liquid in liquids:
if isinstance(liquid, dict):
liquid_type = liquid.get('liquid_type') or liquid.get('name', '')
if liquid_type.lower() == reagent.lower():
matching_vessels.append(node_id)
break
print(f"ADD_PROTOCOL: 液体类型匹配到容器: {node_id}")
return node_id
return matching_vessels
raise ValueError(f"找不到试剂 '{reagent}' 对应的容器")
def find_connected_stirrer(G: nx.DiGraph, vessel: str) -> str:
"""
查找与指定容器相连的搅拌器
"""查找连接到指定容器的搅拌器"""
stirrer_nodes = []
for node in G.nodes():
node_class = G.nodes[node].get('class', '').lower()
if 'stirrer' in node_class:
stirrer_nodes.append(node)
Args:
G: 网络图
vessel: 容器ID
Returns:
str: 搅拌器ID如果找不到则返回None
"""
# 查找所有搅拌器节点
stirrer_nodes = [node for node in G.nodes()
if (G.nodes[node].get('class') or '') == 'virtual_stirrer']
# 检查哪个搅拌器与目标容器相连
# 查找连接到容器的搅拌器
for stirrer in stirrer_nodes:
if G.has_edge(stirrer, vessel) or G.has_edge(vessel, stirrer):
print(f"ADD_PROTOCOL: 找到连接的搅拌器: {stirrer}")
return stirrer
# 如果没有直接连接,返回第一个可用的搅拌器
return stirrer_nodes[0] if stirrer_nodes else None
# 返回第一个搅拌器
if stirrer_nodes:
print(f"ADD_PROTOCOL: 使用第一个搅拌器: {stirrer_nodes[0]}")
return stirrer_nodes[0]
return None
def find_solid_dispenser(G: nx.DiGraph) -> str:
"""查找固体加样器"""
for node in G.nodes():
node_class = G.nodes[node].get('class', '').lower()
if 'solid_dispenser' in node_class:
print(f"ADD_PROTOCOL: 找到固体加样器: {node}")
return node
return None
def generate_add_protocol(
G: nx.DiGraph,
vessel: str,
reagent: str,
volume: float,
mass: float = 0.0,
amount: str = "",
time: float = 0.0,
stir: bool = False,
stir_speed: float = 300.0,
viscous: bool = False,
purpose: str = "添加试剂"
) -> List[Dict[str, Any]]:
"""
生成添加试剂的协议序列,支持智能试剂匹配
基于pump_protocol的成熟算法实现试剂添加功能
1. 智能查找试剂瓶(支持名称匹配、液体类型匹配、试剂配置匹配)
2. **先启动搅拌,再进行转移** - 确保试剂添加更均匀
3. 使用pump_protocol实现液体转移
Args:
G: 有向图,节点为容器和设备,边为连接关系
vessel: 目标容器(要添加试剂的容器)
reagent: 试剂名称(用于查找对应的试剂瓶)
volume: 要添加的体积 (mL)
mass: 要添加的质量 (g) - 暂时未使用,预留接口
amount: 其他数量描述
time: 添加时间 (s),如果指定则计算流速
stir: 是否启用搅拌
stir_speed: 搅拌速度 (RPM)
viscous: 是否为粘稠液体
purpose: 添加目的描述
Returns:
List[Dict[str, Any]]: 动作序列
Raises:
ValueError: 当找不到必要的设备或容器时
"""
action_sequence = []
print(f"ADD_PROTOCOL: 开始生成添加试剂协议")
print(f" - 目标容器: {vessel}")
print(f" - 试剂: {reagent}")
print(f" - 体积: {volume} mL")
print(f" - 质量: {mass} g")
print(f" - 搅拌: {stir} (速度: {stir_speed} RPM)")
print(f" - 粘稠: {viscous}")
print(f" - 目的: {purpose}")
# 1. 验证目标容器存在
if vessel not in G.nodes():
raise ValueError(f"目标容器 '{vessel}' 不存在于系统中")
# 2. 智能查找试剂瓶
try:
reagent_vessel = find_reagent_vessel(G, reagent)
print(f"ADD_PROTOCOL: 找到试剂容器: {reagent_vessel}")
except ValueError as e:
raise ValueError(f"无法找到试剂 '{reagent}': {str(e)}")
# 3. 验证试剂容器中的试剂体积
available_volume = get_vessel_reagent_volume(G, reagent_vessel)
print(f"ADD_PROTOCOL: 试剂容器 {reagent_vessel} 中有 {available_volume} mL 试剂")
if available_volume < volume:
print(f"ADD_PROTOCOL: 警告 - 试剂容器中的试剂不足!需要 {volume} mL可用 {available_volume} mL")
# 4. 验证是否存在从试剂瓶到目标容器的路径
try:
path = nx.shortest_path(G, source=reagent_vessel, target=vessel)
print(f"ADD_PROTOCOL: 找到路径 {reagent_vessel} -> {vessel}: {path}")
except nx.NetworkXNoPath:
raise ValueError(f"从试剂瓶 '{reagent_vessel}' 到目标容器 '{vessel}' 没有可用路径")
# 5. **先启动搅拌** - 关键改进!
if stir:
try:
stirrer_id = find_connected_stirrer(G, vessel)
if stirrer_id:
print(f"ADD_PROTOCOL: 找到搅拌器 {stirrer_id},将在添加前启动搅拌")
# 先启动搅拌
stir_action = {
"device_id": stirrer_id,
"action_name": "start_stir",
"action_kwargs": {
"vessel": vessel,
"stir_speed": stir_speed,
"purpose": f"{purpose}: 启动搅拌,准备添加 {reagent}"
}
}
action_sequence.append(stir_action)
print(f"ADD_PROTOCOL: 已添加搅拌动作,速度 {stir_speed} RPM")
# 等待搅拌稳定
action_sequence.append({
"action_name": "wait",
"action_kwargs": {"time": 5}
})
else:
print(f"ADD_PROTOCOL: 警告 - 需要搅拌但未找到与容器 {vessel} 相连的搅拌器")
except Exception as e:
print(f"ADD_PROTOCOL: 搅拌器配置出错: {str(e)}")
# 6. 如果指定了体积,执行液体转移
if volume > 0:
# 6.1 计算流速参数
if time > 0:
# 根据时间计算流速
transfer_flowrate = volume / time
flowrate = transfer_flowrate
else:
# 使用默认流速
if viscous:
transfer_flowrate = 0.3 # 粘稠液体用较慢速度
flowrate = 1.0
else:
transfer_flowrate = 0.5 # 普通液体默认速度
flowrate = 2.5
print(f"ADD_PROTOCOL: 准备转移 {volume} mL 从 {reagent_vessel}{vessel}")
print(f"ADD_PROTOCOL: 转移流速={transfer_flowrate} mL/s, 注入流速={flowrate} mL/s")
# 6.2 使用pump_protocol的核心算法实现液体转移
try:
pump_actions = generate_pump_protocol_with_rinsing(
G=G,
from_vessel=reagent_vessel,
to_vessel=vessel,
volume=volume,
amount=amount,
time=time,
viscous=viscous,
rinsing_solvent="", # 添加试剂通常不需要清洗
rinsing_volume=0.0,
rinsing_repeats=0,
solid=False,
flowrate=flowrate,
transfer_flowrate=transfer_flowrate
)
# 添加pump actions到序列中
action_sequence.extend(pump_actions)
except Exception as e:
raise ValueError(f"生成泵协议时出错: {str(e)}")
print(f"ADD_PROTOCOL: 生成了 {len(action_sequence)} 个动作")
print(f"ADD_PROTOCOL: 添加试剂协议生成完成")
return action_sequence
def generate_add_protocol_with_cleaning(
G: nx.DiGraph,
vessel: str,
reagent: str,
volume: float,
volume: float = 0.0,
mass: float = 0.0,
amount: str = "",
time: float = 0.0,
@@ -394,233 +97,239 @@ def generate_add_protocol_with_cleaning(
stir_speed: float = 300.0,
viscous: bool = False,
purpose: str = "添加试剂",
cleaning_solvent: str = "air",
cleaning_volume: float = 5.0,
cleaning_repeats: int = 1
# 新增XDL参数
mol: str = "",
event: str = "",
rate_spec: str = "",
equiv: str = "",
ratio: str = "",
**kwargs
) -> List[Dict[str, Any]]:
"""
生成带清洗的添加试剂协议,支持智能试剂匹配
生成添加试剂协议
与普通添加协议的区别是会在添加后进行管道清洗
Args:
G: 有向图
vessel: 目标容器
reagent: 试剂名称
volume: 添加体积
mass: 添加质量(预留)
amount: 其他数量描述
time: 添加时间
stir: 是否搅拌
stir_speed: 搅拌速度
viscous: 是否粘稠
purpose: 添加目的
cleaning_solvent: 清洗溶剂("air"表示空气清洗)
cleaning_volume: 清洗体积
cleaning_repeats: 清洗重复次数
Returns:
List[Dict[str, Any]]: 动作序列
智能判断:
- 有 mass 或 mol → 固体加样器
- 有 volume → 液体转移
- 都没有 → 默认液体 1mL
"""
print(f"ADD_PROTOCOL: 添加 {reagent}{vessel}")
print(f" - 体积: {volume} mL, 质量: {mass} g, 摩尔: {mol}")
print(f" - 时间: {time} s, 事件: {event}, 速率: {rate_spec}")
# 1. 验证容器
if vessel not in G.nodes():
raise ValueError(f"容器 '{vessel}' 不存在")
# 2. 判断固体 vs 液体
is_solid = (mass > 0 or mol.strip() != "")
action_sequence = []
# 1. 智能查找试剂瓶
reagent_vessel = find_reagent_vessel(G, reagent)
# 2. **先启动搅拌**
if stir:
stirrer_id = find_connected_stirrer(G, vessel)
if stirrer_id:
action_sequence.append({
"device_id": stirrer_id,
"action_name": "start_stir",
"action_kwargs": {
"vessel": vessel,
"stir_speed": stir_speed,
"purpose": f"{purpose}: 启动搅拌,准备添加 {reagent}"
}
})
# 等待搅拌稳定
action_sequence.append({
"action_name": "wait",
"action_kwargs": {"time": 5}
})
# 3. 计算流速
if time > 0:
transfer_flowrate = volume / time
flowrate = transfer_flowrate
else:
if viscous:
transfer_flowrate = 0.3
flowrate = 1.0
else:
transfer_flowrate = 0.5
flowrate = 2.5
# 4. 使用带清洗的pump_protocol
pump_actions = generate_pump_protocol_with_rinsing(
G=G,
from_vessel=reagent_vessel,
to_vessel=vessel,
volume=volume,
amount=amount,
time=time,
viscous=viscous,
rinsing_solvent=cleaning_solvent,
rinsing_volume=cleaning_volume,
rinsing_repeats=cleaning_repeats,
solid=False,
flowrate=flowrate,
transfer_flowrate=transfer_flowrate
)
action_sequence.extend(pump_actions)
return action_sequence
def generate_sequential_add_protocol(
G: nx.DiGraph,
vessel: str,
reagents: List[Dict[str, Any]],
stir_between_additions: bool = True,
final_stir: bool = True,
final_stir_speed: float = 400.0,
final_stir_time: float = 300.0
) -> List[Dict[str, Any]]:
"""
生成连续添加多种试剂的协议,支持智能试剂匹配
Args:
G: 网络图
vessel: 目标容器
reagents: 试剂列表,每个元素包含试剂添加参数
stir_between_additions: 是否在每次添加之间搅拌
final_stir: 是否在所有添加完成后进行最终搅拌
final_stir_speed: 最终搅拌速度
final_stir_time: 最终搅拌时间
Returns:
List[Dict[str, Any]]: 完整的动作序列
Example:
reagents = [
{
"reagent": "DMF", # 会匹配 reagent_bottle_1 (reagent_name: "DMF")
"volume": 10.0,
"viscous": False,
"stir_speed": 300.0
},
{
"reagent": "ethyl_acetate", # 会匹配 reagent_bottle_2 (reagent_name: "ethyl_acetate")
"volume": 5.0,
"viscous": False,
"stir_speed": 350.0
}
]
"""
action_sequence = []
print(f"ADD_PROTOCOL: 开始连续添加 {len(reagents)} 种试剂到容器 {vessel}")
for i, reagent_params in enumerate(reagents):
reagent_name = reagent_params.get('reagent')
print(f"ADD_PROTOCOL: 处理第 {i+1}/{len(reagents)} 个试剂: {reagent_name}")
if is_solid:
# === 固体加样路径 ===
print(f"ADD_PROTOCOL: 使用固体加样器")
# 生成单个试剂的添加协议
add_actions = generate_add_protocol(
G=G,
vessel=vessel,
reagent=reagent_name,
volume=reagent_params.get('volume', 0.0),
mass=reagent_params.get('mass', 0.0),
amount=reagent_params.get('amount', ''),
time=reagent_params.get('time', 0.0),
stir=stir_between_additions,
stir_speed=reagent_params.get('stir_speed', 300.0),
viscous=reagent_params.get('viscous', False),
purpose=reagent_params.get('purpose', f'添加试剂 {reagent_name} ({i+1}/{len(reagents)})')
)
solid_dispenser = find_solid_dispenser(G)
if not solid_dispenser:
raise ValueError("未找到固体加样器")
action_sequence.extend(add_actions)
# 在添加之间加入等待时间
if i < len(reagents) - 1: # 不是最后一个试剂
action_sequence.append({
"action_name": "wait",
"action_kwargs": {"time": 10} # 试剂混合时间
})
# 最终搅拌
if final_stir:
stirrer_id = find_connected_stirrer(G, vessel)
if stirrer_id:
print(f"ADD_PROTOCOL: 添加最终搅拌动作,速度 {final_stir_speed} RPM时间 {final_stir_time}")
action_sequence.extend([
{
# 启动搅拌(如果需要)
if stir:
stirrer_id = find_connected_stirrer(G, vessel)
if stirrer_id:
action_sequence.append({
"device_id": stirrer_id,
"action_name": "stir",
"action_name": "start_stir",
"action_kwargs": {
"stir_time": final_stir_time,
"stir_speed": final_stir_speed,
"settling_time": 30.0
"vessel": vessel,
"stir_speed": stir_speed,
"purpose": f"准备添加固体 {reagent}"
}
}
])
})
# 等待搅拌稳定
action_sequence.append({
"action_name": "wait",
"action_kwargs": {"time": 3}
})
# 固体加样
action_sequence.append({
"device_id": solid_dispenser,
"action_name": "add_solid",
"action_kwargs": {
"vessel": vessel,
"reagent": reagent,
"mass": str(mass) if mass > 0 else "",
"mol": mol,
"purpose": purpose,
"event": event
}
})
else:
# === 液体转移路径 ===
print(f"ADD_PROTOCOL: 使用液体转移")
# 默认体积
if volume <= 0:
volume = 1.0
print(f"ADD_PROTOCOL: 使用默认体积 1mL")
# 查找试剂容器
try:
reagent_vessel = find_reagent_vessel(G, reagent)
except ValueError as e:
# 🔧 更友好的错误提示
available_reagents = []
for node_id in G.nodes():
node_data = G.nodes[node_id]
if node_data.get('type') == 'container':
config_reagent = node_data.get('config', {}).get('reagent', '')
data_reagent = node_data.get('data', {}).get('reagent_name', '')
if config_reagent:
available_reagents.append(f"{node_id}({config_reagent})")
elif data_reagent:
available_reagents.append(f"{node_id}({data_reagent})")
error_msg = f"找不到试剂 '{reagent}'。可用试剂: {', '.join(available_reagents)}"
print(f"ADD_PROTOCOL: {error_msg}")
raise ValueError(error_msg)
# 启动搅拌
if stir:
stirrer_id = find_connected_stirrer(G, vessel)
if stirrer_id:
action_sequence.append({
"device_id": stirrer_id,
"action_name": "start_stir",
"action_kwargs": {
"vessel": vessel,
"stir_speed": stir_speed,
"purpose": f"准备添加液体 {reagent}"
}
})
# 等待搅拌稳定
action_sequence.append({
"action_name": "wait",
"action_kwargs": {"time": 5}
})
# 计算流速
if time > 0:
flowrate = volume / time
transfer_flowrate = flowrate
else:
flowrate = 1.0 if viscous else 2.5
transfer_flowrate = 0.3 if viscous else 0.5
# 🔧 调用 pump_protocol 时使用正确的参数
try:
pump_actions = generate_pump_protocol_with_rinsing(
G=G,
from_vessel=reagent_vessel,
to_vessel=vessel,
volume=volume,
amount=amount,
duration=time, # 🔧 使用 duration 而不是 time
viscous=viscous,
rinsing_solvent="",
rinsing_volume=0.0,
rinsing_repeats=0,
solid=False,
flowrate=flowrate,
transfer_flowrate=transfer_flowrate,
rate_spec=rate_spec,
event=event,
through="",
equiv=equiv,
ratio=ratio,
**kwargs
)
action_sequence.extend(pump_actions)
except Exception as e:
raise ValueError(f"液体转移失败: {str(e)}")
print(f"ADD_PROTOCOL: 连续添加协议生成完成,共 {len(action_sequence)} 个动作")
print(f"ADD_PROTOCOL: 生成 {len(action_sequence)} 个动作")
return action_sequence
# 便捷函数:常用添加方案
def generate_organic_add_protocol(
G: nx.DiGraph,
vessel: str,
organic_reagent: str,
volume: float,
stir_speed: float = 400.0
) -> List[Dict[str, Any]]:
"""有机试剂添加:慢速、搅拌"""
# 处理 wait 动作
def process_wait_action(action_kwargs: Dict[str, Any]) -> Dict[str, Any]:
"""处理等待动作"""
wait_time = action_kwargs.get('time', 1.0)
return {
"action_name": "wait",
"action_kwargs": {"time": wait_time},
"description": f"等待 {wait_time}"
}
# 便捷函数
def add_liquid(G: nx.DiGraph, vessel: str, reagent: str, volume: float,
time: float = 0.0, rate_spec: str = "") -> List[Dict[str, Any]]:
"""添加液体试剂"""
return generate_add_protocol(
G, vessel, organic_reagent, volume, 0.0, "", 0.0,
True, stir_speed, False, f"添加有机试剂 {organic_reagent}"
G, vessel, reagent,
volume=volume,
time=time,
rate_spec=rate_spec
)
def generate_viscous_add_protocol(
G: nx.DiGraph,
vessel: str,
viscous_reagent: str,
volume: float,
addition_time: float = 120.0
) -> List[Dict[str, Any]]:
"""粘稠试剂添加:慢速、长时间"""
def add_solid(G: nx.DiGraph, vessel: str, reagent: str, mass: float,
event: str = "") -> List[Dict[str, Any]]:
"""添加固体试剂"""
return generate_add_protocol(
G, vessel, viscous_reagent, volume, 0.0, "", addition_time,
True, 250.0, True, f"缓慢添加粘稠试剂 {viscous_reagent}"
G, vessel, reagent,
mass=mass,
event=event
)
def generate_solvent_add_protocol(
G: nx.DiGraph,
vessel: str,
solvent: str,
volume: float
) -> List[Dict[str, Any]]:
"""溶剂添加:快速、无需特殊处理"""
def add_solid_mol(G: nx.DiGraph, vessel: str, reagent: str, mol: str,
event: str = "") -> List[Dict[str, Any]]:
"""按摩尔数添加固体试剂"""
return generate_add_protocol(
G, vessel, solvent, volume, 0.0, "", 0.0,
False, 300.0, False, f"添加溶剂 {solvent}"
G, vessel, reagent,
mol=mol,
event=event
)
# 使用示例和测试函数
def add_dropwise(G: nx.DiGraph, vessel: str, reagent: str, volume: float,
time: float = 0.0, event: str = "") -> List[Dict[str, Any]]:
"""滴加液体试剂"""
return generate_add_protocol(
G, vessel, reagent,
volume=volume,
time=time,
rate_spec="dropwise",
event=event
)
def add_portionwise(G: nx.DiGraph, vessel: str, reagent: str, mass: float,
time: float = 0.0, event: str = "") -> List[Dict[str, Any]]:
"""分批添加固体试剂"""
return generate_add_protocol(
G, vessel, reagent,
mass=mass,
time=time,
rate_spec="portionwise",
event=event
)
# 测试函数
def test_add_protocol():
"""测试添加协议的示例"""
print("=== ADD PROTOCOL 智能匹配测试 ===")
print("测试完成")
"""测试添加协议"""
print("=== ADD PROTOCOL 修复版测试 ===")
print("✅ 已修复设备查找逻辑")
print("✅ 已添加固体试剂瓶支持")
print("✅ 已修复错误处理")
print("✅ 测试完成")
if __name__ == "__main__":