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Create 5 new protocols & bump version 0.9.8 (#59)

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* 添加了5个缺失的protocol，验证了可以运行

* bump version to 0.9.8

* 修复新增的Action的字段缺失

---------

Co-authored-by: Xuwznln <18435084+Xuwznln@users.noreply.github.com>
This commit is contained in:
Kongchang Feng
2025-07-04 13:58:27 +08:00
committed by GitHub
parent 132955617d
commit 21afdb62bc
20 changed files with 1602 additions and 33 deletions
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13
test/experiments/comprehensive_protocol/checklist.md
View File

@@ -23,6 +23,7 @@
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, (√)
@@ -30,7 +31,13 @@
CleanVesselProtocol: generate_clean_vessel_protocol, (√)
DissolveProtocol: generate_dissolve_protocol, (√)
FilterThroughProtocol: generate_filter_through_protocol, (√)
RunColumnProtocol: generate_run_column_protocol, (×)
WashSolidProtocol: generate_wash_solid_protocol, (×)
RunColumnProtocol: generate_run_column_protocol, (√)<RunColumn Rf="?" column="column" from_vessel="rotavap" ratio="5:95" solvent1="methanol" solvent2="chloroform" to_vessel="rotavap"/>
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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"/>

90
test/experiments/comprehensive_protocol/comprehensive_station.json
View File

@@ -23,8 +23,10 @@
"waste_bottle_2",
"solenoid_valve_1",
"solenoid_valve_2",
"solenoid_valve_3",
"vacuum_pump_1",
"gas_source_1",
"h2_gas_source",
"filter_1",
"column_1",
"separator_1",
@@ -60,7 +62,12 @@
"HeatChillStartProtocol",
"HeatChillStopProtocol",
"EvacuateAndRefillProtocol",
"PumpTransferProtocol"
"PumpTransferProtocol",
"AdjustPHProtocol",
"ResetHandlingProtocol",
"DryProtocol",
"HydrogenateProtocol",
"RecrystallizeProtocol"
]
},
"data": {}
@@ -461,6 +468,28 @@
"is_open": false
}
},
{
"id": "solenoid_valve_3",
"name": "氢气电磁阀",
"children": [],
"parent": "OrganicSynthesisStation",
"type": "device",
"class": "virtual_solenoid_valve",
"position": {
"x": 450,
"y": 400,
"z": 0
},
"config": {
"voltage": 12.0,
"response_time": 0.1,
"gas_compatible": true
},
"data": {
"valve_state": "Closed",
"is_open": false
}
},
{
"id": "vacuum_pump_1",
"name": "真空泵",
@@ -500,6 +529,29 @@
"max_pressure": 5.0
}
},
{
"id": "h2_gas_source",
"name": "氢气气源",
"children": [],
"parent": "OrganicSynthesisStation",
"type": "device",
"class": "virtual_gas_source",
"position": {
"x": 500,
"y": 350,
"z": 0
},
"config": {
"max_pressure": 10.0,
"gas_type": "hydrogen"
},
"data": {
"gas_type": "hydrogen",
"max_pressure": 10.0,
"current_pressure": 0.0,
"status": "OFF"
}
},
{
"id": "filter_1",
"name": "过滤器",
@@ -874,14 +926,14 @@
}
},
{
"id": "link_filter_filtrate_to_collection1",
"source": "filter_1",
"target": "collection_bottle_1",
"type": "transport",
"port": {
"filter_1": "filtrateout",
"collection_bottle_1": "top"
}
"id": "link_filter_filtrate_to_collection1",
"source": "filter_1",
"target": "collection_bottle_1",
"type": "transport",
"port": {
"filter_1": "filtrateout",
"collection_bottle_1": "top"
}
},
{
"id": "link_filter_retentate_to_waste1",
@@ -892,6 +944,26 @@
"filter_1": "retentateout",
"waste_bottle_1": "top"
}
},
{
"id": "link_h2_gas_to_valve3",
"source": "h2_gas_source",
"target": "solenoid_valve_3",
"type": "fluid",
"port": {
"h2_gas_source": "gassource",
"solenoid_valve_3": "in"
}
},
{
"id": "link_valve3_to_reactor",
"source": "solenoid_valve_3",
"target": "main_reactor",
"type": "fluid",
"port": {
"solenoid_valve_3": "out",
"main_reactor": "top"
}
}
]
}