1. 用到的仪器
virtual_multiway_valve(√) 八通阀门
virtual_transfer_pump(√) 转移泵
virtual_centrifuge() 离心机
virtual_rotavap() 旋蒸仪
virtual_heatchill() 加热器
virtual_stirrer() 搅拌器
virtual_solenoid_valve() 电磁阀
virtual_vacuum_pump(√) vacuum_pump.mock 真空泵
virtual_gas_source(√) 气源
virtual_filter() 过滤器
virtual_column(√) 层析柱
separator() homemade_grbl_conductivity 分液漏斗
2. 用到的protocol
PumpTransferProtocol: generate_pump_protocol_with_rinsing, (√)
这个重复了，删掉CleanProtocol: generate_clean_protocol,
SeparateProtocol: generate_separate_protocol, (×)
EvaporateProtocol: generate_evaporate_protocol, (√)
EvacuateAndRefillProtocol: generate_evacuateandrefill_protocol, (√)
CentrifugeProtocol: generate_centrifuge_protocol, (√)
AddProtocol: generate_add_protocol, (√)
FilterProtocol: generate_filter_protocol, (√)
HeatChillProtocol: generate_heat_chill_protocol, (√)
HeatChillStartProtocol: generate_heat_chill_start_protocol, (√)
HeatChillStopProtocol: generate_heat_chill_stop_protocol, (√)
HeatChillToTempProtocol:
StirProtocol: generate_stir_protocol, (√)
StartStirProtocol: generate_start_stir_protocol, (√)
StopStirProtocol: generate_stop_stir_protocol, (√)
这个重复了，删掉TransferProtocol: generate_transfer_protocol,
CleanVesselProtocol: generate_clean_vessel_protocol, (√)
DissolveProtocol: generate_dissolve_protocol, (√)
FilterThroughProtocol: generate_filter_through_protocol, (√)
RunColumnProtocol: generate_run_column_protocol, (√)
上下文体积搜索
3. 还没创建的protocol
ResetHandling 写完了
Dry 写完了
AdjustPH 写完了
Recrystallize 写完了
TakeSample
Hydrogenate
4. 参数对齐
class PumpTransferProtocol(BaseModel):
from_vessel: str
to_vessel: str
volume: float
amount: str = ""
time: float = 0
viscous: bool = False
rinsing_solvent: str = "air"
rinsing_volume: float = 5000
rinsing_repeats: int = 2
solid: bool = False 测完了三个都能跑✅
flowrate: float = 500
transfer_flowrate: float = 2500
class SeparateProtocol(BaseModel):
purpose: str
product_phase: str
from_vessel: str
separation_vessel: str
to_vessel: str
waste_phase_to_vessel: str
solvent: str
solvent_volume: float
through: str
repeats: int
stir_time: float
stir_speed: float
settling_time: float 测完了能跑✅
class EvaporateProtocol(BaseModel):
vessel: str
pressure: float
temp: float
time: float 测完了能跑✅
stir_speed: float
class EvacuateAndRefillProtocol(BaseModel):
vessel: str
gas: str
repeats: int 测完了能跑✅
class AddProtocol(BaseModel):
vessel: str
reagent: str
volume: float
mass: float
amount: str
time: float
stir: bool
stir_speed: float
viscous: bool
purpose: str 测完了能跑✅
class CentrifugeProtocol(BaseModel):
vessel: str
speed: float
time: float 没毛病
temp: float
class FilterProtocol(BaseModel):
vessel: str
filtrate_vessel: str
stir: bool
stir_speed: float
temp: float 测完了能跑✅
continue_heatchill: bool
volume: float
class HeatChillProtocol(BaseModel):
vessel: str
temp: float
time: float
stir: bool 测完了能跑✅
stir_speed: float
purpose: str
class HeatChillStartProtocol(BaseModel):
vessel: str
temp: float 疑似没有
purpose: str
class HeatChillStopProtocol(BaseModel):
vessel: str 疑似没有
class StirProtocol(BaseModel):
stir_time: float
stir_speed: float
settling_time: float 测完了能跑✅
class StartStirProtocol(BaseModel):
vessel: str
stir_speed: float 疑似没有
purpose: str
class StopStirProtocol(BaseModel):
vessel: str 疑似没有
class TransferProtocol(BaseModel):
from_vessel: str
to_vessel: str
volume: float
amount: str = ""
time: float = 0
viscous: bool = False
rinsing_solvent: str = ""
rinsing_volume: float = 0.0
rinsing_repeats: int = 0
solid: bool = False 这个protocol早该删掉了
class CleanVesselProtocol(BaseModel):
vessel: str
solvent: str
volume: float
temp: float
repeats: int = 1
class DissolveProtocol(BaseModel):
vessel: str
solvent: str
volume: float
amount: str = ""
temp: float = 25.0
time: float = 0.0
stir_speed: float = 0.0 测完了能跑✅
class FilterThroughProtocol(BaseModel):
from_vessel: str
to_vessel: str
filter_through: str
eluting_solvent: str = ""
eluting_volume: float = 0.0 疑似没有
eluting_repeats: int = 0
residence_time: float = 0.0
class RunColumnProtocol(BaseModel):
from_vessel: str
to_vessel: str
column: str 测完了能跑✅
class WashSolidProtocol(BaseModel):
vessel: str
solvent: str
volume: float
filtrate_vessel: str = ""
temp: float = 25.0
stir: bool = False
stir_speed: float = 0.0 测完了能跑✅
time: float = 0.0
repeats: int = 1
class AdjustPHProtocol(BaseModel):
vessel: str = Field(..., description="目标容器")
ph_value: float = Field(..., description="目标pH值") # 改为 ph_value
reagent: str = Field(..., description="酸碱试剂名称")
# 移除其他可选参数，使用默认值 <新写的，没问题>
class ResetHandlingProtocol(BaseModel):
solvent: str = Field(..., description="溶剂名称") <新写的，没问题>
class DryProtocol(BaseModel):
compound: str = Field(..., description="化合物名称") <新写的，没问题>
vessel: str = Field(..., description="目标容器")
class RecrystallizeProtocol(BaseModel):
ratio: str = Field(..., description="溶剂比例（如 '1:1', '3:7'）")
solvent1: str = Field(..., description="第一种溶剂名称") <新写的，没问题>
solvent2: str = Field(..., description="第二种溶剂名称")
vessel: str = Field(..., description="目标容器")
volume: float = Field(..., description="总体积 (mL)")
class HydrogenateProtocol(BaseModel):
temp: str = Field(..., description="反应温度（如 '45 °C'）")
time: str = Field(..., description="反应时间（如 '2 h'）") <新写的，没问题>
vessel: str = Field(..., description="反应容器")
还差
单位修复：
evaporate
heatchill
recrysitallize
stir
wash solid