protocol完整修复版本& bump version to 0.9.10

This commit is contained in:
KCFeng425
2025-07-10 16:48:09 +08:00
parent d82ccd5cf1
commit 7b93332bf5
25 changed files with 3760 additions and 1843 deletions

View File

@@ -43,6 +43,15 @@
Hydrogenate <Hydrogenate temp="45 °C" time="?" vessel="main_reactor"/>
4. 参数对齐
class PumpTransferProtocol(BaseModel):
from_vessel: str
to_vessel: str
@@ -53,7 +62,7 @@ class PumpTransferProtocol(BaseModel):
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 添加了缺失的参数但是体积为0以及打印日志的问题修不好
solid: bool = False 测完了三个都能跑✅
flowrate: float = 500
transfer_flowrate: float = 2500
@@ -67,24 +76,24 @@ class SeparateProtocol(BaseModel):
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"/>
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 写了action
settling_time: float 测完了能跑✅
class EvaporateProtocol(BaseModel):
vessel: str
pressure: float
temp: float <Evaporate solvent="ethanol" vessel="rotavap"/>
time: float 完了
time: float 完了能跑✅
stir_speed: float
class EvacuateAndRefillProtocol(BaseModel):
vessel: str
gas: str <EvacuateAndRefill gas="nitrogen" vessel="main_reactor"/>
repeats: int 处理完了
repeats: int 测完了能跑✅
class AddProtocol(BaseModel):
vessel: str
@@ -102,7 +111,7 @@ class AddProtocol(BaseModel):
vessel="main_reactor" volume="2.67 mL"/>
<Add ratio="?" reagent="tetrahydrofuran|tert-butanol" vessel="main_reactor" volume="?"/>
viscous: bool
purpose: str 写了action
purpose: str 测完了能跑✅
class CentrifugeProtocol(BaseModel):
vessel: str
@@ -115,7 +124,7 @@ class FilterProtocol(BaseModel):
filtrate_vessel: str
stir: bool <Filter vessel="filter"/>
stir_speed: float <Filter filtrate_vessel="rotavap" vessel="filter"/>
temp: float 处理了
temp: float 测完了能跑✅
continue_heatchill: bool
volume: float
@@ -127,7 +136,7 @@ class HeatChillProtocol(BaseModel):
<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 处理了
stir: bool 测完了能跑✅
stir_speed: float
purpose: str
@@ -144,7 +153,7 @@ class StirProtocol(BaseModel):
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 处理完了
settling_time: float 测完了能跑✅
class StartStirProtocol(BaseModel):
vessel: str
@@ -176,11 +185,11 @@ class CleanVesselProtocol(BaseModel):
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"/>
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
stir_speed: float = 0.0 写了action
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
@@ -194,16 +203,19 @@ class FilterThroughProtocol(BaseModel):
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 写了action
column: str 测完了能跑✅
class WashSolidProtocol(BaseModel):
vessel: str
solvent: str
volume: float
filtrate_vessel: str = ""
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"/>
stir_speed: float = 0.0 处理完了
<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
@@ -230,4 +242,9 @@ class RecrystallizeProtocol(BaseModel):
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")
vessel: str = Field(..., description="反应容器")
还差
<dissolve>
<separate>
<CleanVessel vessel="centrifuge"/>

View File

@@ -898,7 +898,7 @@
"type": "fluid",
"port": {
"multiway_valve_2": "3",
"solenoid_valve_2": "in"
"solenoid_valve_2": "out"
}
},
{
@@ -908,7 +908,7 @@
"type": "fluid",
"port": {
"gas_source_1": "gassource",
"solenoid_valve_2": "out"
"solenoid_valve_2": "in"
}
},
{