mirror of
https://github.com/dptech-corp/Uni-Lab-OS.git
synced 2025-12-17 21:11:12 +00:00
Update docs
This commit is contained in:
Xuwznln
258
unilabos/test/experiments/comprehensive_protocol/checklist.md
Normal file
258
unilabos/test/experiments/comprehensive_protocol/checklist.md
Normal file
@@ -0,0 +1,258 @@
|
||||
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, (√)<RunColumn Rf="?" column="column" from_vessel="rotavap" ratio="5:95" solvent1="methanol" solvent2="chloroform" to_vessel="rotavap"/>
|
||||
|
||||
上下文体积搜索
|
||||
3. 还没创建的protocol
|
||||
ResetHandling 写完了 <ResetHandling solvent="methanol"/>
|
||||
Dry 写完了 <Dry compound="product" vessel="filter"/>
|
||||
AdjustPH 写完了 <AdjustPH pH="8.0" reagent="hydrochloric acid" vessel="main_reactor"/>
|
||||
Recrystallize 写完了 <Recrystallize ratio="?" solvent1="dichloromethane" solvent2="methanol" vessel="filter" volume="?"/>
|
||||
TakeSample <TakeSample id="a" vessel="rotavap"/>
|
||||
Hydrogenate <Hydrogenate temp="45 °C" time="?" vessel="main_reactor"/>
|
||||
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" <Transfer from_vessel="main_reactor" to_vessel="rotavap"/>
|
||||
rinsing_volume: float = 5000 <Transfer event="A" from_vessel="reactor" rate_spec="dropwise" to_vessel="main_reactor"/>
|
||||
rinsing_repeats: int = 2 <Transfer from_vessel="separator" through="cartridge" to_vessel="rotavap"/>
|
||||
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 <Separate product_phase="bottom" purpose="wash" solvent="water" vessel="separator" volume="?"/>
|
||||
through: str <Separate product_phase="top" purpose="separate" vessel="separator"/>
|
||||
repeats: int <Separate product_phase="bottom" purpose="extract" repeats="3" solvent="CH2Cl2" vessel="separator" volume="?"/>
|
||||
stir_time: float <Separate product_phase="top" product_vessel="flask" purpose="separate" vessel="separator" waste_vessel="separator"/>
|
||||
stir_speed: float
|
||||
settling_time: float 测完了能跑✅
|
||||
|
||||
|
||||
class EvaporateProtocol(BaseModel):
|
||||
vessel: str
|
||||
pressure: float
|
||||
temp: float <Evaporate solvent="ethanol" vessel="rotavap"/>
|
||||
time: float 测完了能跑✅
|
||||
stir_speed: float
|
||||
|
||||
|
||||
class EvacuateAndRefillProtocol(BaseModel):
|
||||
vessel: str
|
||||
gas: str <EvacuateAndRefill gas="nitrogen" vessel="main_reactor"/>
|
||||
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 <Add reagent="ethanol" vessel="main_reactor" volume="2.7 mL"/>
|
||||
<Add event="A" mass="19.3 g" mol="0.28 mol" rate_spec="portionwise" reagent="sodium nitrite" time="1 h" vessel="main_reactor"/>
|
||||
<Add mass="4.5 g" mol="16.2 mmol" reagent="(S)-2-phthalimido-6-hydroxyhexanoic acid" vessel="main_reactor"/>
|
||||
<Add purpose="dilute" reagent="hydrochloric acid" vessel="main_reactor" volume="?"/>
|
||||
<Add equiv="1.1" event="B" mol="25.2 mmol" rate_spec="dropwise" reagent="1-fluoro-2-nitrobenzene" time="20 min"
|
||||
vessel="main_reactor" volume="2.67 mL"/>
|
||||
<Add ratio="?" reagent="tetrahydrofuran|tert-butanol" vessel="main_reactor" volume="?"/>
|
||||
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 <Filter vessel="filter"/>
|
||||
stir_speed: float <Filter filtrate_vessel="rotavap" vessel="filter"/>
|
||||
temp: float 测完了能跑✅
|
||||
continue_heatchill: bool
|
||||
volume: float
|
||||
|
||||
class HeatChillProtocol(BaseModel):
|
||||
vessel: str
|
||||
temp: float
|
||||
time: float <HeatChill pressure="1 mbar" temp_spec="room temperature" time="?" vessel="main_reactor"/>
|
||||
<HeatChill temp_spec="room temperature" time_spec="overnight" vessel="main_reactor"/>
|
||||
<HeatChill temp="256 °C" time="?" vessel="main_reactor"/>
|
||||
<HeatChill reflux_solvent="methanol" temp_spec="reflux" time="2 h" vessel="main_reactor"/>
|
||||
<HeatChillToTemp temp_spec="room temperature" vessel="main_reactor"/>
|
||||
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 <Stir time="0.5 h" vessel="main_reactor"/>
|
||||
<Stir event="A" time="30 min" vessel="main_reactor"/>
|
||||
<Stir time_spec="several minutes" vessel="filter"/>
|
||||
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 <CleanVessel vessel="centrifuge"/>
|
||||
|
||||
class DissolveProtocol(BaseModel):
|
||||
vessel: str
|
||||
solvent: str
|
||||
volume: float <Dissolve mass="2.9 g" mol="0.12 mol" reagent="magnesium" vessel="main_reactor"/>
|
||||
amount: str = "" <Dissolve mass="12.9 g" reagent="4-tert-butylbenzyl bromide" vessel="main_reactor"/>
|
||||
temp: float = 25.0 <Dissolve solvent="diisopropyl ether" vessel="rotavap" volume="?"/>
|
||||
time: float = 0.0 <Dissolve event="A" mass="?" reagent="pyridinone" vessel="main_reactor"/>
|
||||
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 <RunColumn Rf="?" column="column" from_vessel="rotavap" pct1="40 %" pct2="50 %" solvent1="ethyl acetate" solvent2="hexane" to_vessel="rotavap"/>
|
||||
column: str 测完了能跑✅
|
||||
|
||||
class WashSolidProtocol(BaseModel):
|
||||
vessel: str
|
||||
solvent: str
|
||||
volume: float
|
||||
filtrate_vessel: str = "" <WashSolid repeats="4" solvent="water" vessel="main_reactor" volume="400 mL"/>
|
||||
temp: float = 25.0 <WashSolid filtrate_vessel="rotavap" solvent="formic acid" vessel="main_reactor" volume="?"/>
|
||||
stir: bool = False <WashSolid solvent="acetone" vessel="rotavap" volume="5 mL"/>
|
||||
<WashSolid solvent="ethyl alcohol" vessel="main_reactor" volume_spec="small volume"/>
|
||||
<WashSolid filtrate_vessel="rotavap" mass="10 g" solvent="toluene" vessel="separator"/>
|
||||
<WashSolid repeats_spec="several" solvent="water" vessel="main_reactor" volume="?"/>
|
||||
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
|
||||
<dissolve>
|
||||
<separate>
|
||||
<CleanVessel vessel="centrifuge"/>
|
||||
|
||||
|
||||
单位修复：
|
||||
evaporate
|
||||
heatchill
|
||||
recrysitallize
|
||||
stir
|
||||
wash solid
|
||||
Reference in New Issue
Block a user