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https://github.com/dptech-corp/Uni-Lab-OS.git
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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
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@@ -51,9 +51,9 @@ class PumpTransferProtocol(BaseModel):
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time: float = 0
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viscous: bool = False
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rinsing_solvent: str = "air" <Transfer from_vessel="main_reactor" to_vessel="rotavap"/>
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rinsing_volume: float = 5000
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rinsing_repeats: int = 2
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solid: bool = False
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rinsing_volume: float = 5000 <Transfer event="A" from_vessel="reactor" rate_spec="dropwise" to_vessel="main_reactor"/>
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rinsing_repeats: int = 2 <Transfer from_vessel="separator" through="cartridge" to_vessel="rotavap"/>
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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
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flowrate: float = 500
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transfer_flowrate: float = 2500
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@@ -66,9 +66,9 @@ class SeparateProtocol(BaseModel):
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waste_phase_to_vessel: str
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solvent: str
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solvent_volume: float <Separate product_phase="bottom" purpose="wash" solvent="water" vessel="separator" volume="?"/>
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through: str
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repeats: int
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stir_time: float
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through: str <Separate product_phase="top" purpose="separate" vessel="separator"/>
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repeats: int <Separate product_phase="bottom" purpose="extract" repeats="3" solvent="CH2Cl2" vessel="separator" volume="?"/>
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stir_time: float<Separate product_phase="top" product_vessel="flask" purpose="separate" vessel="separator" waste_vessel="separator"/>
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stir_speed: float
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settling_time: float
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@@ -77,14 +77,14 @@ class EvaporateProtocol(BaseModel):
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vessel: str
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pressure: float
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temp: float <Evaporate solvent="ethanol" vessel="rotavap"/>
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time: float
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time: float 加完了
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stir_speed: float
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class EvacuateAndRefillProtocol(BaseModel):
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vessel: str
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gas: str <EvacuateAndRefill gas="nitrogen" vessel="main_reactor"/>
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repeats: int
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repeats: int 处理完了
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class AddProtocol(BaseModel):
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vessel: str
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@@ -95,21 +95,27 @@ class AddProtocol(BaseModel):
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time: float
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stir: bool
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stir_speed: float <Add reagent="ethanol" vessel="main_reactor" volume="2.7 mL"/>
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<Add event="A" mass="19.3 g" mol="0.28 mol" rate_spec="portionwise" reagent="sodium nitrite" time="1 h" vessel="main_reactor"/>
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<Add mass="4.5 g" mol="16.2 mmol" reagent="(S)-2-phthalimido-6-hydroxyhexanoic acid" vessel="main_reactor"/>
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<Add purpose="dilute" reagent="hydrochloric acid" vessel="main_reactor" volume="?"/>
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<Add equiv="1.1" event="B" mol="25.2 mmol" rate_spec="dropwise" reagent="1-fluoro-2-nitrobenzene" time="20 min"
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vessel="main_reactor" volume="2.67 mL"/>
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<Add ratio="?" reagent="tetrahydrofuran|tert-butanol" vessel="main_reactor" volume="?"/>
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viscous: bool
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purpose: str
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class CentrifugeProtocol(BaseModel):
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vessel: str
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speed: float
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time: float 自创的
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time: float 没毛病
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temp: float
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class FilterProtocol(BaseModel):
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vessel: str
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filtrate_vessel: str
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stir: bool <Filter vessel="filter"/>
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stir_speed: float
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temp: float
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stir_speed: float <Filter filtrate_vessel="rotavap" vessel="filter"/>
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temp: float 处理了
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continue_heatchill: bool
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volume: float
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@@ -118,6 +124,9 @@ class HeatChillProtocol(BaseModel):
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temp: float
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time: float <HeatChill pressure="1 mbar" temp_spec="room temperature" time="?" vessel="main_reactor"/>
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<HeatChill temp_spec="room temperature" time_spec="overnight" vessel="main_reactor"/>
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<HeatChill temp="256 °C" time="?" vessel="main_reactor"/>
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<HeatChill reflux_solvent="methanol" temp_spec="reflux" time="2 h" vessel="main_reactor"/>
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<HeatChillToTemp temp_spec="room temperature" vessel="main_reactor"/>
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stir: bool
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stir_speed: float
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purpose: str
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@@ -133,7 +142,9 @@ class HeatChillStopProtocol(BaseModel):
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class StirProtocol(BaseModel):
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stir_time: float
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stir_speed: float <Stir time="0.5 h" vessel="main_reactor"/>
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settling_time: float
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<Stir event="A" time="30 min" vessel="main_reactor"/>
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<Stir time_spec="several minutes" vessel="filter"/>
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settling_time: float 处理完了
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class StartStirProtocol(BaseModel):
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vessel: str
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@@ -149,11 +160,11 @@ class TransferProtocol(BaseModel):
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volume: float
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amount: str = ""
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time: float = 0
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viscous: bool = False <Transfer from_vessel="main_reactor" to_vessel="rotavap"/>
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viscous: bool = False
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rinsing_solvent: str = ""
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rinsing_volume: float = 0.0
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rinsing_repeats: int = 0
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solid: bool = False
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solid: bool = False 这个protocol早该删掉了
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class CleanVesselProtocol(BaseModel):
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vessel: str
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@@ -166,8 +177,8 @@ class DissolveProtocol(BaseModel):
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vessel: str
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solvent: str
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volume: float <Dissolve mass="2.9 g" mol="0.12 mol" reagent="magnesium" vessel="main_reactor"/>
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amount: str = ""
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temp: float = 25.0
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amount: str = "" <Dissolve mass="12.9 g" reagent="4-tert-butylbenzyl bromide" vessel="main_reactor"/>
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temp: float = 25.0 <Dissolve solvent="diisopropyl ether" vessel="rotavap" volume="?"/>
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time: float = 0.0
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stir_speed: float = 0.0
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@@ -191,8 +202,8 @@ class WashSolidProtocol(BaseModel):
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volume: float
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filtrate_vessel: str = ""
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temp: float = 25.0 <WashSolid filtrate_vessel="rotavap" solvent="formic acid" vessel="main_reactor" volume="?"/>
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stir: bool = False
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stir_speed: float = 0.0
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stir: bool = False <WashSolid solvent="acetone" vessel="rotavap" volume="5 mL"/>
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stir_speed: float = 0.0 处理完了
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time: float = 0.0
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repeats: int = 1
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