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4 Commits
771540b88c
...
v0.9.7
| Author | SHA1 | Date | |
|---|---|---|---|
|
4139e079f4 | ||
|
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efc0a9fbbc | ||
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7db3123547 | ||
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|
6da7a20a7a |
@@ -148,7 +148,7 @@
|
||||
"children": [],
|
||||
"parent": "CleanVesselProtocolTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"class": "container",
|
||||
"position": {
|
||||
"x": 50,
|
||||
"y": 500,
|
||||
@@ -172,7 +172,7 @@
|
||||
"children": [],
|
||||
"parent": "CleanVesselProtocolTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"class": "container",
|
||||
"position": {
|
||||
"x": 150,
|
||||
"y": 500,
|
||||
@@ -196,7 +196,7 @@
|
||||
"children": [],
|
||||
"parent": "CleanVesselProtocolTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"class": "container",
|
||||
"position": {
|
||||
"x": 250,
|
||||
"y": 500,
|
||||
@@ -220,7 +220,7 @@
|
||||
"children": [],
|
||||
"parent": "CleanVesselProtocolTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"class": "container",
|
||||
"position": {
|
||||
"x": 350,
|
||||
"y": 500,
|
||||
@@ -239,7 +239,7 @@
|
||||
"children": [],
|
||||
"parent": "CleanVesselProtocolTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"class": "container",
|
||||
"position": {
|
||||
"x": 600,
|
||||
"y": 450,
|
||||
@@ -263,7 +263,7 @@
|
||||
"children": [],
|
||||
"parent": "CleanVesselProtocolTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"class": "container",
|
||||
"position": {
|
||||
"x": 800,
|
||||
"y": 450,
|
||||
@@ -287,7 +287,7 @@
|
||||
"children": [],
|
||||
"parent": "CleanVesselProtocolTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"class": "container",
|
||||
"position": {
|
||||
"x": 700,
|
||||
"y": 550,
|
||||
@@ -301,9 +301,9 @@
|
||||
}
|
||||
}
|
||||
],
|
||||
"links": [
|
||||
"links": [
|
||||
{
|
||||
"id": "link_pump1_valve1",
|
||||
"id": "link_pump1_to_valve1",
|
||||
"source": "transfer_pump_1",
|
||||
"target": "multiway_valve_1",
|
||||
"type": "fluid",
|
||||
@@ -313,7 +313,7 @@
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_pump2_valve2",
|
||||
"id": "link_pump2_to_valve2",
|
||||
"source": "transfer_pump_2",
|
||||
"target": "multiway_valve_2",
|
||||
"type": "fluid",
|
||||
@@ -323,103 +323,123 @@
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_valve1_air",
|
||||
"source": "multiway_valve_1",
|
||||
"target": "flask_air",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"multiway_valve_1": "1",
|
||||
"flask_air": "top"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_valve1_water",
|
||||
"id": "link_valve1_to_water",
|
||||
"source": "multiway_valve_1",
|
||||
"target": "flask_water",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"multiway_valve_1": "2",
|
||||
"flask_water": "outlet"
|
||||
"flask_water": "top"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_valve1_acetone",
|
||||
"id": "link_valve1_to_acetone",
|
||||
"source": "multiway_valve_1",
|
||||
"target": "flask_acetone",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"multiway_valve_1": "3",
|
||||
"flask_acetone": "outlet"
|
||||
"flask_acetone": "top"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_valve1_ethanol",
|
||||
"id": "link_valve1_to_ethanol",
|
||||
"source": "multiway_valve_1",
|
||||
"target": "flask_ethanol",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"multiway_valve_1": "4",
|
||||
"flask_ethanol": "outlet"
|
||||
"flask_ethanol": "top"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_valve1_valve2",
|
||||
"id": "link_valve1_to_air",
|
||||
"source": "multiway_valve_1",
|
||||
"target": "flask_air",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"multiway_valve_1": "6",
|
||||
"flask_air": "top"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_valve1_to_valve2_for_cleaning",
|
||||
"source": "multiway_valve_1",
|
||||
"target": "multiway_valve_2",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"multiway_valve_1": "5",
|
||||
"multiway_valve_2": "1"
|
||||
"multiway_valve_1": "1",
|
||||
"multiway_valve_2": "8"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_valve2_main_reactor",
|
||||
"id": "link_valve2_to_main_reactor_in",
|
||||
"source": "multiway_valve_2",
|
||||
"target": "main_reactor",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"multiway_valve_2": "2",
|
||||
"main_reactor": "inlet"
|
||||
"main_reactor": "top"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_valve2_secondary_reactor",
|
||||
"id": "link_valve2_to_secondary_reactor_in",
|
||||
"source": "multiway_valve_2",
|
||||
"target": "secondary_reactor",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"multiway_valve_2": "3",
|
||||
"secondary_reactor": "inlet"
|
||||
"secondary_reactor": "top"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_valve2_waste",
|
||||
"id": "link_main_reactor_out_to_valve2",
|
||||
"source": "main_reactor",
|
||||
"target": "multiway_valve_2",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"main_reactor": "bottom",
|
||||
"multiway_valve_2": "6"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_secondary_reactor_out_to_valve2",
|
||||
"source": "secondary_reactor",
|
||||
"target": "multiway_valve_2",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"secondary_reactor": "bottom",
|
||||
"multiway_valve_2": "7"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_valve2_to_waste",
|
||||
"source": "multiway_valve_2",
|
||||
"target": "waste_workup",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"multiway_valve_2": "4",
|
||||
"waste_workup": "inlet"
|
||||
"waste_workup": "top"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_valve2_air_return",
|
||||
"source": "multiway_valve_2",
|
||||
"target": "flask_air",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"multiway_valve_2": "5",
|
||||
"flask_air": "bottom"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_heatchill1_main_reactor",
|
||||
"id": "link_heatchill1_to_main_reactor",
|
||||
"source": "heatchill_1",
|
||||
"target": "main_reactor",
|
||||
"type": "mechanical",
|
||||
"port": {
|
||||
"heatchill_1": "heatchill",
|
||||
"main_reactor": "heating_jacket"
|
||||
"main_reactor": "bind"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_heatchill1_to_secondary_reactor",
|
||||
"source": "heatchill_1",
|
||||
"target": "secondary_reactor",
|
||||
"type": "mechanical",
|
||||
"port": {
|
||||
"heatchill_1": "heatchill",
|
||||
"secondary_reactor": "bind"
|
||||
}
|
||||
}
|
||||
]
|
||||
|
||||
@@ -0,0 +1,778 @@
|
||||
{
|
||||
"nodes": [
|
||||
{
|
||||
"id": "PumpTransferFilterThroughTestStation",
|
||||
"name": "泵转移+过滤介质测试站",
|
||||
"children": [
|
||||
"transfer_pump_1",
|
||||
"transfer_pump_2",
|
||||
"multiway_valve_1",
|
||||
"multiway_valve_2",
|
||||
"reaction_mixture",
|
||||
"crude_product",
|
||||
"filter_celite",
|
||||
"column_silica_gel",
|
||||
"filter_C18",
|
||||
"pure_product",
|
||||
"collection_bottle_1",
|
||||
"collection_bottle_2",
|
||||
"collection_bottle_3",
|
||||
"intermediate_vessel_1",
|
||||
"intermediate_vessel_2",
|
||||
"flask_water",
|
||||
"flask_ethanol",
|
||||
"flask_methanol",
|
||||
"flask_ethyl_acetate",
|
||||
"flask_acetone",
|
||||
"flask_hexane",
|
||||
"flask_air",
|
||||
"waste_workup"
|
||||
],
|
||||
"parent": null,
|
||||
"type": "device",
|
||||
"class": "workstation",
|
||||
"position": {
|
||||
"x": 500,
|
||||
"y": 200,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"protocol_type": [
|
||||
"PumpTransferProtocol",
|
||||
"FilterThroughProtocol"
|
||||
]
|
||||
},
|
||||
"data": {}
|
||||
},
|
||||
{
|
||||
"id": "transfer_pump_1",
|
||||
"name": "主转移泵",
|
||||
"children": [],
|
||||
"parent": "PumpTransferFilterThroughTestStation",
|
||||
"type": "device",
|
||||
"class": "virtual_transfer_pump",
|
||||
"position": {
|
||||
"x": 200,
|
||||
"y": 300,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"port": "VIRTUAL_PUMP1",
|
||||
"max_volume": 25.0,
|
||||
"transfer_rate": 2.0
|
||||
},
|
||||
"data": {
|
||||
"position": 0.0,
|
||||
"status": "Idle"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "transfer_pump_2",
|
||||
"name": "副转移泵",
|
||||
"children": [],
|
||||
"parent": "PumpTransferFilterThroughTestStation",
|
||||
"type": "device",
|
||||
"class": "virtual_transfer_pump",
|
||||
"position": {
|
||||
"x": 400,
|
||||
"y": 300,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"port": "VIRTUAL_PUMP2",
|
||||
"max_volume": 25.0,
|
||||
"transfer_rate": 2.0
|
||||
},
|
||||
"data": {
|
||||
"position": 0.0,
|
||||
"status": "Idle"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "multiway_valve_1",
|
||||
"name": "溶剂分配阀",
|
||||
"children": [],
|
||||
"parent": "PumpTransferFilterThroughTestStation",
|
||||
"type": "device",
|
||||
"class": "virtual_multiway_valve",
|
||||
"position": {
|
||||
"x": 200,
|
||||
"y": 400,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"port": "VIRTUAL_VALVE1",
|
||||
"positions": 8
|
||||
},
|
||||
"data": {
|
||||
"current_position": 1
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "multiway_valve_2",
|
||||
"name": "样品分配阀",
|
||||
"children": [],
|
||||
"parent": "PumpTransferFilterThroughTestStation",
|
||||
"type": "device",
|
||||
"class": "virtual_multiway_valve",
|
||||
"position": {
|
||||
"x": 400,
|
||||
"y": 400,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"port": "VIRTUAL_VALVE2",
|
||||
"positions": 8
|
||||
},
|
||||
"data": {
|
||||
"current_position": 1
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "reaction_mixture",
|
||||
"name": "反应混合物",
|
||||
"children": [],
|
||||
"parent": "PumpTransferFilterThroughTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 100,
|
||||
"y": 500,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 1000.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": [
|
||||
{
|
||||
"liquid_type": "organic_reaction_mixture",
|
||||
"liquid_volume": 250.0
|
||||
}
|
||||
]
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "crude_product",
|
||||
"name": "粗产品",
|
||||
"children": [],
|
||||
"parent": "PumpTransferFilterThroughTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 200,
|
||||
"y": 500,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 1000.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": [
|
||||
{
|
||||
"liquid_type": "crude_organic_compound",
|
||||
"liquid_volume": 150.0
|
||||
}
|
||||
]
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "filter_celite",
|
||||
"name": "硅藻土过滤器",
|
||||
"children": [],
|
||||
"parent": "PumpTransferFilterThroughTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 600,
|
||||
"y": 450,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 300.0,
|
||||
"filter_type": "celite_pad"
|
||||
},
|
||||
"data": {
|
||||
"liquid": []
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "column_silica_gel",
|
||||
"name": "硅胶柱",
|
||||
"children": [],
|
||||
"parent": "PumpTransferFilterThroughTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 700,
|
||||
"y": 450,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 200.0,
|
||||
"filter_type": "silica_gel_column"
|
||||
},
|
||||
"data": {
|
||||
"liquid": []
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "filter_C18",
|
||||
"name": "C18固相萃取柱",
|
||||
"children": [],
|
||||
"parent": "PumpTransferFilterThroughTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 800,
|
||||
"y": 450,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 100.0,
|
||||
"filter_type": "C18_cartridge"
|
||||
},
|
||||
"data": {
|
||||
"liquid": []
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "pure_product",
|
||||
"name": "纯产品",
|
||||
"children": [],
|
||||
"parent": "PumpTransferFilterThroughTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 900,
|
||||
"y": 500,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 1000.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": []
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "collection_bottle_1",
|
||||
"name": "收集瓶1",
|
||||
"children": [],
|
||||
"parent": "PumpTransferFilterThroughTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 600,
|
||||
"y": 550,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 1000.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": []
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "collection_bottle_2",
|
||||
"name": "收集瓶2",
|
||||
"children": [],
|
||||
"parent": "PumpTransferFilterThroughTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 700,
|
||||
"y": 550,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 1000.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": []
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "collection_bottle_3",
|
||||
"name": "收集瓶3",
|
||||
"children": [],
|
||||
"parent": "PumpTransferFilterThroughTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 800,
|
||||
"y": 550,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 1000.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": []
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "intermediate_vessel_1",
|
||||
"name": "中间容器1",
|
||||
"children": [],
|
||||
"parent": "PumpTransferFilterThroughTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 300,
|
||||
"y": 500,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 1000.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": []
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "intermediate_vessel_2",
|
||||
"name": "中间容器2",
|
||||
"children": [],
|
||||
"parent": "PumpTransferFilterThroughTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 400,
|
||||
"y": 500,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 1000.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": []
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "flask_water",
|
||||
"name": "蒸馏水瓶",
|
||||
"children": [],
|
||||
"parent": "PumpTransferFilterThroughTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 100,
|
||||
"y": 600,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 1000.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": [
|
||||
{
|
||||
"liquid_type": "water",
|
||||
"liquid_volume": 900.0
|
||||
}
|
||||
]
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "flask_ethanol",
|
||||
"name": "乙醇瓶",
|
||||
"children": [],
|
||||
"parent": "PumpTransferFilterThroughTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 200,
|
||||
"y": 600,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 1000.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": [
|
||||
{
|
||||
"liquid_type": "ethanol",
|
||||
"liquid_volume": 800.0
|
||||
}
|
||||
]
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "flask_methanol",
|
||||
"name": "甲醇瓶",
|
||||
"children": [],
|
||||
"parent": "PumpTransferFilterThroughTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 300,
|
||||
"y": 600,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 1000.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": [
|
||||
{
|
||||
"liquid_type": "methanol",
|
||||
"liquid_volume": 800.0
|
||||
}
|
||||
]
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "flask_ethyl_acetate",
|
||||
"name": "乙酸乙酯瓶",
|
||||
"children": [],
|
||||
"parent": "PumpTransferFilterThroughTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 400,
|
||||
"y": 600,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 1000.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": [
|
||||
{
|
||||
"liquid_type": "ethyl_acetate",
|
||||
"liquid_volume": 800.0
|
||||
}
|
||||
]
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "flask_acetone",
|
||||
"name": "丙酮瓶",
|
||||
"children": [],
|
||||
"parent": "PumpTransferFilterThroughTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 500,
|
||||
"y": 600,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 1000.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": [
|
||||
{
|
||||
"liquid_type": "acetone",
|
||||
"liquid_volume": 800.0
|
||||
}
|
||||
]
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "flask_hexane",
|
||||
"name": "正己烷瓶",
|
||||
"children": [],
|
||||
"parent": "PumpTransferFilterThroughTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 600,
|
||||
"y": 600,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 1000.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": [
|
||||
{
|
||||
"liquid_type": "hexane",
|
||||
"liquid_volume": 800.0
|
||||
}
|
||||
]
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "flask_air",
|
||||
"name": "空气瓶",
|
||||
"children": [],
|
||||
"parent": "PumpTransferFilterThroughTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 700,
|
||||
"y": 600,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 1000.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": []
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "waste_workup",
|
||||
"name": "废液瓶",
|
||||
"children": [],
|
||||
"parent": "PumpTransferFilterThroughTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 800,
|
||||
"y": 600,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 2000.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": []
|
||||
}
|
||||
}
|
||||
],
|
||||
"links": [
|
||||
{
|
||||
"id": "link_pump1_valve1",
|
||||
"source": "transfer_pump_1",
|
||||
"target": "multiway_valve_1",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"transfer_pump_1": "transferpump",
|
||||
"multiway_valve_1": "transferpump"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_pump2_valve2",
|
||||
"source": "transfer_pump_2",
|
||||
"target": "multiway_valve_2",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"transfer_pump_2": "transferpump",
|
||||
"multiway_valve_2": "transferpump"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_valve1_air",
|
||||
"source": "multiway_valve_1",
|
||||
"target": "flask_air",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"multiway_valve_1": "1",
|
||||
"flask_air": "top"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_valve1_water",
|
||||
"source": "multiway_valve_1",
|
||||
"target": "flask_water",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"multiway_valve_1": "2",
|
||||
"flask_water": "outlet"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_valve1_ethanol",
|
||||
"source": "multiway_valve_1",
|
||||
"target": "flask_ethanol",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"multiway_valve_1": "3",
|
||||
"flask_ethanol": "outlet"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_valve1_methanol",
|
||||
"source": "multiway_valve_1",
|
||||
"target": "flask_methanol",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"multiway_valve_1": "4",
|
||||
"flask_methanol": "outlet"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_valve1_ethyl_acetate",
|
||||
"source": "multiway_valve_1",
|
||||
"target": "flask_ethyl_acetate",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"multiway_valve_1": "5",
|
||||
"flask_ethyl_acetate": "outlet"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_valve1_acetone",
|
||||
"source": "multiway_valve_1",
|
||||
"target": "flask_acetone",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"multiway_valve_1": "6",
|
||||
"flask_acetone": "outlet"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_valve1_hexane",
|
||||
"source": "multiway_valve_1",
|
||||
"target": "flask_hexane",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"multiway_valve_1": "7",
|
||||
"flask_hexane": "outlet"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_valve1_valve2",
|
||||
"source": "multiway_valve_1",
|
||||
"target": "multiway_valve_2",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"multiway_valve_1": "8",
|
||||
"multiway_valve_2": "1"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_valve2_reaction_mixture",
|
||||
"source": "multiway_valve_2",
|
||||
"target": "reaction_mixture",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"multiway_valve_2": "2",
|
||||
"reaction_mixture": "inlet"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_valve2_crude_product",
|
||||
"source": "multiway_valve_2",
|
||||
"target": "crude_product",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"multiway_valve_2": "3",
|
||||
"crude_product": "inlet"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_valve2_intermediate1",
|
||||
"source": "multiway_valve_2",
|
||||
"target": "intermediate_vessel_1",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"multiway_valve_2": "4",
|
||||
"intermediate_vessel_1": "inlet"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_valve2_intermediate2",
|
||||
"source": "multiway_valve_2",
|
||||
"target": "intermediate_vessel_2",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"multiway_valve_2": "5",
|
||||
"intermediate_vessel_2": "inlet"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_valve2_celite",
|
||||
"source": "multiway_valve_2",
|
||||
"target": "filter_celite",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"multiway_valve_2": "6",
|
||||
"filter_celite": "inlet"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_valve2_silica_gel",
|
||||
"source": "multiway_valve_2",
|
||||
"target": "column_silica_gel",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"multiway_valve_2": "7",
|
||||
"column_silica_gel": "inlet"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_valve2_C18",
|
||||
"source": "multiway_valve_2",
|
||||
"target": "filter_C18",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"multiway_valve_2": "8",
|
||||
"filter_C18": "inlet"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_celite_collection1",
|
||||
"source": "filter_celite",
|
||||
"target": "collection_bottle_1",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"filter_celite": "outlet",
|
||||
"collection_bottle_1": "inlet"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_silica_gel_collection2",
|
||||
"source": "column_silica_gel",
|
||||
"target": "collection_bottle_2",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"column_silica_gel": "outlet",
|
||||
"collection_bottle_2": "inlet"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_C18_collection3",
|
||||
"source": "filter_C18",
|
||||
"target": "collection_bottle_3",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"filter_C18": "outlet",
|
||||
"collection_bottle_3": "inlet"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_collection1_pure_product",
|
||||
"source": "collection_bottle_1",
|
||||
"target": "pure_product",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"collection_bottle_1": "outlet",
|
||||
"pure_product": "inlet"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_collection2_pure_product",
|
||||
"source": "collection_bottle_2",
|
||||
"target": "pure_product",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"collection_bottle_2": "outlet",
|
||||
"pure_product": "inlet"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_collection3_pure_product",
|
||||
"source": "collection_bottle_3",
|
||||
"target": "pure_product",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"collection_bottle_3": "outlet",
|
||||
"pure_product": "inlet"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_waste_connection",
|
||||
"source": "pure_product",
|
||||
"target": "waste_workup",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"pure_product": "waste_outlet",
|
||||
"waste_workup": "inlet"
|
||||
}
|
||||
}
|
||||
]
|
||||
}
|
||||
@@ -0,0 +1,432 @@
|
||||
{
|
||||
"nodes": [
|
||||
{
|
||||
"id": "RunColumnTestStation",
|
||||
"name": "柱层析测试工作站",
|
||||
"children": [
|
||||
"transfer_pump_1",
|
||||
"multiway_valve_1",
|
||||
"column_1",
|
||||
"flask_sample",
|
||||
"flask_hexane",
|
||||
"flask_ethyl_acetate",
|
||||
"flask_methanol",
|
||||
"column_vessel",
|
||||
"collection_flask_1",
|
||||
"collection_flask_2",
|
||||
"collection_flask_3",
|
||||
"waste_flask",
|
||||
"main_reactor"
|
||||
],
|
||||
"parent": null,
|
||||
"type": "device",
|
||||
"class": "workstation",
|
||||
"position": {
|
||||
"x": 500,
|
||||
"y": 200,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"protocol_type": ["RunColumnProtocol", "PumpTransferProtocol"]
|
||||
},
|
||||
"data": {}
|
||||
},
|
||||
{
|
||||
"id": "transfer_pump_1",
|
||||
"name": "转移泵",
|
||||
"children": [],
|
||||
"parent": "RunColumnTestStation",
|
||||
"type": "device",
|
||||
"class": "virtual_transfer_pump",
|
||||
"position": {
|
||||
"x": 300,
|
||||
"y": 300,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"port": "VIRTUAL_PUMP1",
|
||||
"max_volume": 50.0,
|
||||
"transfer_rate": 10.0
|
||||
},
|
||||
"data": {
|
||||
"status": "Idle",
|
||||
"position": 0.0
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "multiway_valve_1",
|
||||
"name": "八通阀门",
|
||||
"children": [],
|
||||
"parent": "RunColumnTestStation",
|
||||
"type": "device",
|
||||
"class": "virtual_multiway_valve",
|
||||
"position": {
|
||||
"x": 300,
|
||||
"y": 400,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"port": "VIRTUAL_VALVE1",
|
||||
"positions": 8
|
||||
},
|
||||
"data": {
|
||||
"current_position": 1
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "column_1",
|
||||
"name": "柱层析设备",
|
||||
"children": [],
|
||||
"parent": "RunColumnTestStation",
|
||||
"type": "device",
|
||||
"class": "virtual_column",
|
||||
"position": {
|
||||
"x": 600,
|
||||
"y": 350,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"port": "VIRTUAL_COLUMN1",
|
||||
"max_flow_rate": 5.0,
|
||||
"column_length": 30.0,
|
||||
"column_diameter": 2.5
|
||||
},
|
||||
"data": {
|
||||
"status": "Idle",
|
||||
"column_state": "Ready"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "flask_sample",
|
||||
"name": "样品瓶",
|
||||
"children": [],
|
||||
"parent": "RunColumnTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 100,
|
||||
"y": 500,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 500.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": [
|
||||
{
|
||||
"name": "crude_mixture",
|
||||
"volume": 200.0,
|
||||
"concentration": 70.0
|
||||
}
|
||||
]
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "flask_hexane",
|
||||
"name": "正己烷洗脱剂",
|
||||
"children": [],
|
||||
"parent": "RunColumnTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 200,
|
||||
"y": 500,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 2000.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": [
|
||||
{
|
||||
"name": "hexane",
|
||||
"volume": 1500.0,
|
||||
"concentration": 99.8
|
||||
}
|
||||
]
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "flask_ethyl_acetate",
|
||||
"name": "乙酸乙酯洗脱剂",
|
||||
"children": [],
|
||||
"parent": "RunColumnTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 300,
|
||||
"y": 500,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 2000.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": [
|
||||
{
|
||||
"name": "ethyl_acetate",
|
||||
"volume": 1500.0,
|
||||
"concentration": 99.5
|
||||
}
|
||||
]
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "flask_methanol",
|
||||
"name": "甲醇洗脱剂",
|
||||
"children": [],
|
||||
"parent": "RunColumnTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 400,
|
||||
"y": 500,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 1000.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": [
|
||||
{
|
||||
"name": "methanol",
|
||||
"volume": 800.0,
|
||||
"concentration": 99.9
|
||||
}
|
||||
]
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "column_vessel",
|
||||
"name": "柱容器",
|
||||
"children": [],
|
||||
"parent": "RunColumnTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 600,
|
||||
"y": 450,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 300.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": []
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "collection_flask_1",
|
||||
"name": "收集瓶1",
|
||||
"children": [],
|
||||
"parent": "RunColumnTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 700,
|
||||
"y": 500,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 1000.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": []
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "collection_flask_2",
|
||||
"name": "收集瓶2",
|
||||
"children": [],
|
||||
"parent": "RunColumnTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 800,
|
||||
"y": 500,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 1000.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": []
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "collection_flask_3",
|
||||
"name": "收集瓶3",
|
||||
"children": [],
|
||||
"parent": "RunColumnTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 900,
|
||||
"y": 500,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 1000.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": []
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "waste_flask",
|
||||
"name": "废液瓶",
|
||||
"children": [],
|
||||
"parent": "RunColumnTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 1000,
|
||||
"y": 500,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 2000.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": []
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "main_reactor",
|
||||
"name": "反应器",
|
||||
"children": [],
|
||||
"parent": "RunColumnTestStation",
|
||||
"type": "container",
|
||||
"class": null,
|
||||
"position": {
|
||||
"x": 600,
|
||||
"y": 300,
|
||||
"z": 0
|
||||
},
|
||||
"config": {
|
||||
"max_volume": 1000.0
|
||||
},
|
||||
"data": {
|
||||
"liquid": [
|
||||
{
|
||||
"name": "reaction_mixture",
|
||||
"volume": 300.0,
|
||||
"concentration": 85.0
|
||||
}
|
||||
]
|
||||
}
|
||||
}
|
||||
],
|
||||
"links": [
|
||||
{
|
||||
"id": "link_pump_valve",
|
||||
"source": "transfer_pump_1",
|
||||
"target": "multiway_valve_1",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"transfer_pump_1": "transferpump",
|
||||
"multiway_valve_1": "transferpump"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_valve_sample",
|
||||
"source": "multiway_valve_1",
|
||||
"target": "flask_sample",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"multiway_valve_1": "1",
|
||||
"flask_sample": "outlet"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_valve_hexane",
|
||||
"source": "multiway_valve_1",
|
||||
"target": "flask_hexane",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"multiway_valve_1": "2",
|
||||
"flask_hexane": "outlet"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_valve_ethyl_acetate",
|
||||
"source": "multiway_valve_1",
|
||||
"target": "flask_ethyl_acetate",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"multiway_valve_1": "3",
|
||||
"flask_ethyl_acetate": "outlet"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_valve_methanol",
|
||||
"source": "multiway_valve_1",
|
||||
"target": "flask_methanol",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"multiway_valve_1": "4",
|
||||
"flask_methanol": "outlet"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_valve_column_vessel",
|
||||
"source": "multiway_valve_1",
|
||||
"target": "column_vessel",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"multiway_valve_1": "5",
|
||||
"column_vessel": "inlet"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_valve_collection1",
|
||||
"source": "multiway_valve_1",
|
||||
"target": "collection_flask_1",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"multiway_valve_1": "6",
|
||||
"collection_flask_1": "inlet"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_valve_collection2",
|
||||
"source": "multiway_valve_1",
|
||||
"target": "collection_flask_2",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"multiway_valve_1": "7",
|
||||
"collection_flask_2": "inlet"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_valve_waste",
|
||||
"source": "multiway_valve_1",
|
||||
"target": "waste_flask",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"multiway_valve_1": "8",
|
||||
"waste_flask": "inlet"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_column_device_vessel",
|
||||
"source": "column_1",
|
||||
"target": "column_vessel",
|
||||
"type": "transport",
|
||||
"port": {
|
||||
"column_1": "columnin",
|
||||
"column_vessel": "column_port"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_column_collection3",
|
||||
"source": "column_1",
|
||||
"target": "collection_flask_3",
|
||||
"type": "transport",
|
||||
"port": {
|
||||
"column_1": "columnout",
|
||||
"collection_flask_3": "column_outlet"
|
||||
}
|
||||
}
|
||||
]
|
||||
}
|
||||
@@ -29,6 +29,8 @@
|
||||
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, (×)
|
||||
FilterThroughProtocol: generate_filter_through_protocol, (√)
|
||||
RunColumnProtocol: generate_run_column_protocol, (×)
|
||||
WashSolidProtocol: generate_wash_solid_protocol, (×)
|
||||
|
||||
上下文体积搜索
|
||||
@@ -1,8 +1,8 @@
|
||||
{
|
||||
"nodes": [
|
||||
{
|
||||
"id": "ComprehensiveProtocolStation",
|
||||
"name": "综合协议测试工作站",
|
||||
"id": "OrganicSynthesisStation",
|
||||
"name": "有机化学流程综合测试工作站",
|
||||
"children": [
|
||||
"multiway_valve_1",
|
||||
"multiway_valve_2",
|
||||
@@ -69,7 +69,7 @@
|
||||
"id": "multiway_valve_1",
|
||||
"name": "八通阀门1",
|
||||
"children": [],
|
||||
"parent": "ComprehensiveProtocolStation",
|
||||
"parent": "OrganicSynthesisStation",
|
||||
"type": "device",
|
||||
"class": "virtual_multiway_valve",
|
||||
"position": {
|
||||
@@ -89,7 +89,7 @@
|
||||
"id": "multiway_valve_2",
|
||||
"name": "八通阀门2",
|
||||
"children": [],
|
||||
"parent": "ComprehensiveProtocolStation",
|
||||
"parent": "OrganicSynthesisStation",
|
||||
"type": "device",
|
||||
"class": "virtual_multiway_valve",
|
||||
"position": {
|
||||
@@ -109,7 +109,7 @@
|
||||
"id": "transfer_pump_1",
|
||||
"name": "转移泵1",
|
||||
"children": [],
|
||||
"parent": "ComprehensiveProtocolStation",
|
||||
"parent": "OrganicSynthesisStation",
|
||||
"type": "device",
|
||||
"class": "virtual_transfer_pump",
|
||||
"position": {
|
||||
@@ -130,7 +130,7 @@
|
||||
"id": "transfer_pump_2",
|
||||
"name": "转移泵2",
|
||||
"children": [],
|
||||
"parent": "ComprehensiveProtocolStation",
|
||||
"parent": "OrganicSynthesisStation",
|
||||
"type": "device",
|
||||
"class": "virtual_transfer_pump",
|
||||
"position": {
|
||||
@@ -151,7 +151,7 @@
|
||||
"id": "reagent_bottle_1",
|
||||
"name": "试剂瓶1-DMF",
|
||||
"children": [],
|
||||
"parent": "ComprehensiveProtocolStation",
|
||||
"parent": "OrganicSynthesisStation",
|
||||
"type": "container",
|
||||
"class": "container",
|
||||
"position": {
|
||||
@@ -172,7 +172,7 @@
|
||||
"id": "reagent_bottle_2",
|
||||
"name": "试剂瓶2-乙酸乙酯",
|
||||
"children": [],
|
||||
"parent": "ComprehensiveProtocolStation",
|
||||
"parent": "OrganicSynthesisStation",
|
||||
"type": "container",
|
||||
"class": "container",
|
||||
"position": {
|
||||
@@ -193,7 +193,7 @@
|
||||
"id": "reagent_bottle_3",
|
||||
"name": "试剂瓶3-己烷",
|
||||
"children": [],
|
||||
"parent": "ComprehensiveProtocolStation",
|
||||
"parent": "OrganicSynthesisStation",
|
||||
"type": "container",
|
||||
"class": "container",
|
||||
"position": {
|
||||
@@ -214,7 +214,7 @@
|
||||
"id": "reagent_bottle_4",
|
||||
"name": "试剂瓶4-甲醇",
|
||||
"children": [],
|
||||
"parent": "ComprehensiveProtocolStation",
|
||||
"parent": "OrganicSynthesisStation",
|
||||
"type": "container",
|
||||
"class": "container",
|
||||
"position": {
|
||||
@@ -235,7 +235,7 @@
|
||||
"id": "reagent_bottle_5",
|
||||
"name": "试剂瓶5-水",
|
||||
"children": [],
|
||||
"parent": "ComprehensiveProtocolStation",
|
||||
"parent": "OrganicSynthesisStation",
|
||||
"type": "container",
|
||||
"class": "container",
|
||||
"position": {
|
||||
@@ -256,7 +256,7 @@
|
||||
"id": "centrifuge_1",
|
||||
"name": "离心机",
|
||||
"children": [],
|
||||
"parent": "ComprehensiveProtocolStation",
|
||||
"parent": "OrganicSynthesisStation",
|
||||
"type": "device",
|
||||
"class": "virtual_centrifuge",
|
||||
"position": {
|
||||
@@ -278,7 +278,7 @@
|
||||
"id": "rotavap_1",
|
||||
"name": "旋转蒸发仪",
|
||||
"children": [],
|
||||
"parent": "ComprehensiveProtocolStation",
|
||||
"parent": "OrganicSynthesisStation",
|
||||
"type": "device",
|
||||
"class": "virtual_rotavap",
|
||||
"position": {
|
||||
@@ -300,7 +300,7 @@
|
||||
"id": "main_reactor",
|
||||
"name": "主反应器",
|
||||
"children": [],
|
||||
"parent": "ComprehensiveProtocolStation",
|
||||
"parent": "OrganicSynthesisStation",
|
||||
"type": "container",
|
||||
"class": "container",
|
||||
"position": {
|
||||
@@ -324,7 +324,7 @@
|
||||
"id": "heater_1",
|
||||
"name": "加热器",
|
||||
"children": [],
|
||||
"parent": "ComprehensiveProtocolStation",
|
||||
"parent": "OrganicSynthesisStation",
|
||||
"type": "device",
|
||||
"class": "virtual_heatchill",
|
||||
"position": {
|
||||
@@ -345,7 +345,7 @@
|
||||
"id": "stirrer_1",
|
||||
"name": "搅拌器1",
|
||||
"children": [],
|
||||
"parent": "ComprehensiveProtocolStation",
|
||||
"parent": "OrganicSynthesisStation",
|
||||
"type": "device",
|
||||
"class": "virtual_stirrer",
|
||||
"position": {
|
||||
@@ -361,11 +361,11 @@
|
||||
"current_speed": 0.0
|
||||
}
|
||||
},
|
||||
{
|
||||
{
|
||||
"id": "stirrer_2",
|
||||
"name": "搅拌器2",
|
||||
"children": [],
|
||||
"parent": "ComprehensiveProtocolStation",
|
||||
"parent": "OrganicSynthesisStation",
|
||||
"type": "device",
|
||||
"class": "virtual_stirrer",
|
||||
"position": {
|
||||
@@ -385,7 +385,7 @@
|
||||
"id": "waste_bottle_1",
|
||||
"name": "废液瓶1",
|
||||
"children": [],
|
||||
"parent": "ComprehensiveProtocolStation",
|
||||
"parent": "OrganicSynthesisStation",
|
||||
"type": "container",
|
||||
"class": "container",
|
||||
"position": {
|
||||
@@ -404,7 +404,7 @@
|
||||
"id": "waste_bottle_2",
|
||||
"name": "废液瓶2",
|
||||
"children": [],
|
||||
"parent": "ComprehensiveProtocolStation",
|
||||
"parent": "OrganicSynthesisStation",
|
||||
"type": "container",
|
||||
"class": "container",
|
||||
"position": {
|
||||
@@ -423,7 +423,7 @@
|
||||
"id": "solenoid_valve_1",
|
||||
"name": "电磁阀1",
|
||||
"children": [],
|
||||
"parent": "ComprehensiveProtocolStation",
|
||||
"parent": "OrganicSynthesisStation",
|
||||
"type": "device",
|
||||
"class": "virtual_solenoid_valve",
|
||||
"position": {
|
||||
@@ -444,7 +444,7 @@
|
||||
"id": "solenoid_valve_2",
|
||||
"name": "电磁阀2",
|
||||
"children": [],
|
||||
"parent": "ComprehensiveProtocolStation",
|
||||
"parent": "OrganicSynthesisStation",
|
||||
"type": "device",
|
||||
"class": "virtual_solenoid_valve",
|
||||
"position": {
|
||||
@@ -465,7 +465,7 @@
|
||||
"id": "vacuum_pump_1",
|
||||
"name": "真空泵",
|
||||
"children": [],
|
||||
"parent": "ComprehensiveProtocolStation",
|
||||
"parent": "OrganicSynthesisStation",
|
||||
"type": "device",
|
||||
"class": "virtual_vacuum_pump",
|
||||
"position": {
|
||||
@@ -486,7 +486,7 @@
|
||||
"id": "gas_source_1",
|
||||
"name": "气源",
|
||||
"children": [],
|
||||
"parent": "ComprehensiveProtocolStation",
|
||||
"parent": "OrganicSynthesisStation",
|
||||
"type": "device",
|
||||
"class": "virtual_gas_source",
|
||||
"position": {
|
||||
@@ -504,7 +504,7 @@
|
||||
"id": "filter_1",
|
||||
"name": "过滤器",
|
||||
"children": [],
|
||||
"parent": "ComprehensiveProtocolStation",
|
||||
"parent": "OrganicSynthesisStation",
|
||||
"type": "device",
|
||||
"class": "virtual_filter",
|
||||
"position": {
|
||||
@@ -525,7 +525,7 @@
|
||||
"id": "column_1",
|
||||
"name": "洗脱柱",
|
||||
"children": [],
|
||||
"parent": "ComprehensiveProtocolStation",
|
||||
"parent": "OrganicSynthesisStation",
|
||||
"type": "device",
|
||||
"class": "virtual_column",
|
||||
"position": {
|
||||
@@ -547,7 +547,7 @@
|
||||
"id": "separator_1",
|
||||
"name": "分液器",
|
||||
"children": [],
|
||||
"parent": "ComprehensiveProtocolStation",
|
||||
"parent": "OrganicSynthesisStation",
|
||||
"type": "device",
|
||||
"class": "virtual_separator",
|
||||
"position": {
|
||||
@@ -568,7 +568,7 @@
|
||||
"id": "collection_bottle_1",
|
||||
"name": "接收瓶1",
|
||||
"children": [],
|
||||
"parent": "ComprehensiveProtocolStation",
|
||||
"parent": "OrganicSynthesisStation",
|
||||
"type": "container",
|
||||
"class": "container",
|
||||
"position": {
|
||||
@@ -587,7 +587,7 @@
|
||||
"id": "collection_bottle_2",
|
||||
"name": "接收瓶2",
|
||||
"children": [],
|
||||
"parent": "ComprehensiveProtocolStation",
|
||||
"parent": "OrganicSynthesisStation",
|
||||
"type": "container",
|
||||
"class": "container",
|
||||
"position": {
|
||||
@@ -606,7 +606,7 @@
|
||||
"id": "collection_bottle_3",
|
||||
"name": "接收瓶3",
|
||||
"children": [],
|
||||
"parent": "ComprehensiveProtocolStation",
|
||||
"parent": "OrganicSynthesisStation",
|
||||
"type": "container",
|
||||
"class": "container",
|
||||
"position": {
|
||||
@@ -624,13 +624,13 @@
|
||||
],
|
||||
"links": [
|
||||
{
|
||||
"id": "link_valve1_pump1",
|
||||
"source": "multiway_valve_1",
|
||||
"target": "transfer_pump_1",
|
||||
"id": "link_pump1_valve1",
|
||||
"source": "transfer_pump_1",
|
||||
"target": "multiway_valve_1",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"multiway_valve_1": "transferpump",
|
||||
"transfer_pump_1": "transferpump"
|
||||
"transfer_pump_1": "transferpump",
|
||||
"multiway_valve_1": "transferpump"
|
||||
}
|
||||
},
|
||||
{
|
||||
@@ -667,7 +667,7 @@
|
||||
"id": "link_valve1_centrifuge",
|
||||
"source": "multiway_valve_1",
|
||||
"target": "centrifuge_1",
|
||||
"type": "fluid",
|
||||
"type": "transport",
|
||||
"port": {
|
||||
"multiway_valve_1": "4",
|
||||
"centrifuge_1": "centrifuge"
|
||||
@@ -680,7 +680,7 @@
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"multiway_valve_1": "5",
|
||||
"rotavap_1": "rotavap-sample"
|
||||
"rotavap_1": "sample_in"
|
||||
}
|
||||
},
|
||||
{
|
||||
@@ -714,13 +714,13 @@
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_valve2_pump2",
|
||||
"source": "multiway_valve_2",
|
||||
"target": "transfer_pump_2",
|
||||
"id": "link_pump2_valve2",
|
||||
"source": "transfer_pump_2",
|
||||
"target": "multiway_valve_2",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"multiway_valve_2": "transferpump",
|
||||
"transfer_pump_2": "transferpump"
|
||||
"transfer_pump_2": "transferpump",
|
||||
"multiway_valve_2": "transferpump"
|
||||
}
|
||||
},
|
||||
{
|
||||
@@ -734,13 +734,13 @@
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_solenoid1_vacuum",
|
||||
"source": "solenoid_valve_1",
|
||||
"target": "vacuum_pump_1",
|
||||
"id": "link_vacuum_solenoid1",
|
||||
"source": "vacuum_pump_1",
|
||||
"target": "solenoid_valve_1",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"solenoid_valve_1": "out",
|
||||
"vacuum_pump_1": "vacuumpump"
|
||||
"vacuum_pump_1": "vacuumpump",
|
||||
"solenoid_valve_1": "out"
|
||||
}
|
||||
},
|
||||
{
|
||||
@@ -754,40 +754,30 @@
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_solenoid2_gas",
|
||||
"source": "solenoid_valve_2",
|
||||
"target": "gas_source_1",
|
||||
"id": "link_gas_solenoid2",
|
||||
"source": "gas_source_1",
|
||||
"target": "solenoid_valve_2",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"solenoid_valve_2": "out",
|
||||
"gas_source_1": "gassource"
|
||||
"gas_source_1": "gassource",
|
||||
"solenoid_valve_2": "out"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_valve2_filter",
|
||||
"source": "multiway_valve_2",
|
||||
"target": "filter_1",
|
||||
"type": "fluid",
|
||||
"type": "transport",
|
||||
"port": {
|
||||
"multiway_valve_2": "4",
|
||||
"filter_1": "filterin"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_filter_collection1",
|
||||
"source": "filter_1",
|
||||
"target": "collection_bottle_1",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"filter_1": "filtrate_out",
|
||||
"collection_bottle_1": "top"
|
||||
"filter_1": "filter_in"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_valve2_column",
|
||||
"source": "multiway_valve_2",
|
||||
"target": "column_1",
|
||||
"type": "fluid",
|
||||
"type": "transport",
|
||||
"port": {
|
||||
"multiway_valve_2": "5",
|
||||
"column_1": "columnin"
|
||||
@@ -797,7 +787,7 @@
|
||||
"id": "link_column_collection2",
|
||||
"source": "column_1",
|
||||
"target": "collection_bottle_2",
|
||||
"type": "fluid",
|
||||
"type": "transport",
|
||||
"port": {
|
||||
"column_1": "columnout",
|
||||
"collection_bottle_2": "top"
|
||||
@@ -810,7 +800,7 @@
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"multiway_valve_2": "6",
|
||||
"separator_1": "separatorin"
|
||||
"separator_1": "separator_in"
|
||||
}
|
||||
},
|
||||
{
|
||||
@@ -819,30 +809,10 @@
|
||||
"target": "collection_bottle_3",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"separator_1": "separatorout",
|
||||
"separator_1": "bottom_phase_out",
|
||||
"collection_bottle_3": "top"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_separator_stirrer_2",
|
||||
"source": "separator_1",
|
||||
"target": "stirrer_2",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"separator_1": "separatorout",
|
||||
"stirrer_2": "stirrer"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_separator_waste2",
|
||||
"source": "separator_1",
|
||||
"target": "waste_bottle_2",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"separator_1": "separatorout",
|
||||
"waste_bottle_2": "top"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_valve2_reagent4",
|
||||
"source": "multiway_valve_2",
|
||||
@@ -867,20 +837,60 @@
|
||||
"id": "mech_stirrer_reactor",
|
||||
"source": "stirrer_1",
|
||||
"target": "main_reactor",
|
||||
"type": "fluid",
|
||||
"type": "mechanical",
|
||||
"port": {
|
||||
"stirrer_1": "stirrer",
|
||||
"main_reactor": "top"
|
||||
"main_reactor": "bind"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "thermal_heater_reactor",
|
||||
"source": "heater_1",
|
||||
"target": "main_reactor",
|
||||
"type": "fluid",
|
||||
"type": "mechanical",
|
||||
"port": {
|
||||
"heater_1": "heatchill",
|
||||
"main_reactor": "bottom"
|
||||
"main_reactor": "bind"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_separator_waste2",
|
||||
"source": "separator_1",
|
||||
"target": "waste_bottle_2",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"separator_1": "top_phase_out",
|
||||
"waste_bottle_2": "top"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "mech_stirrer2_separator",
|
||||
"source": "stirrer_2",
|
||||
"target": "separator_1",
|
||||
"type": "mechanical",
|
||||
"port": {
|
||||
"stirrer_2": "stirrer",
|
||||
"separator_1": "bind"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_filter_filtrate_to_collection1",
|
||||
"source": "filter_1",
|
||||
"target": "collection_bottle_1",
|
||||
"type": "transport",
|
||||
"port": {
|
||||
"filter_1": "filtrate_out",
|
||||
"collection_bottle_1": "top"
|
||||
}
|
||||
},
|
||||
{
|
||||
"id": "link_filter_retentate_to_waste1",
|
||||
"source": "filter_1",
|
||||
"target": "waste_bottle_1",
|
||||
"type": "transport",
|
||||
"port": {
|
||||
"filter_1": "retentate_out",
|
||||
"waste_bottle_1": "top"
|
||||
}
|
||||
}
|
||||
]
|
||||
|
||||
@@ -140,8 +140,8 @@
|
||||
}
|
||||
},
|
||||
{
|
||||
"source": "vacuum_valve",
|
||||
"target": "vacuum_pump",
|
||||
"source": "vacuum_pump",
|
||||
"target": "vacuum_valve",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"vacuum_pump": "out",
|
||||
@@ -149,8 +149,8 @@
|
||||
}
|
||||
},
|
||||
{
|
||||
"source": "gas_valve",
|
||||
"target": "gas_source",
|
||||
"source": "gas_source",
|
||||
"target": "gas_valve",
|
||||
"type": "fluid",
|
||||
"port": {
|
||||
"gas_source": "out",
|
||||
|
||||
@@ -25,26 +25,25 @@ from .wash_solid_protocol import generate_wash_solid_protocol
|
||||
|
||||
# Define a dictionary of protocol generators.
|
||||
action_protocol_generators = {
|
||||
PumpTransferProtocol: generate_pump_protocol_with_rinsing,
|
||||
CleanProtocol: generate_clean_protocol,
|
||||
SeparateProtocol: generate_separate_protocol,
|
||||
EvaporateProtocol: generate_evaporate_protocol,
|
||||
EvacuateAndRefillProtocol: generate_evacuateandrefill_protocol,
|
||||
AddProtocol: generate_add_protocol,
|
||||
AGVTransferProtocol: generate_agv_transfer_protocol,
|
||||
CentrifugeProtocol: generate_centrifuge_protocol,
|
||||
AddProtocol: generate_add_protocol,
|
||||
CleanProtocol: generate_clean_protocol,
|
||||
CleanVesselProtocol: generate_clean_vessel_protocol,
|
||||
DissolveProtocol: generate_dissolve_protocol,
|
||||
EvacuateAndRefillProtocol: generate_evacuateandrefill_protocol,
|
||||
EvaporateProtocol: generate_evaporate_protocol,
|
||||
FilterProtocol: generate_filter_protocol,
|
||||
FilterThroughProtocol: generate_filter_through_protocol,
|
||||
HeatChillProtocol: generate_heat_chill_protocol,
|
||||
HeatChillStartProtocol: generate_heat_chill_start_protocol,
|
||||
HeatChillStopProtocol: generate_heat_chill_stop_protocol,
|
||||
# HeatChillToTempProtocol: generate_heat_chill_to_temp_protocol, # **移除这行**
|
||||
StirProtocol: generate_stir_protocol,
|
||||
PumpTransferProtocol: generate_pump_protocol_with_rinsing,
|
||||
RunColumnProtocol: generate_run_column_protocol,
|
||||
SeparateProtocol: generate_separate_protocol,
|
||||
StartStirProtocol: generate_start_stir_protocol,
|
||||
StirProtocol: generate_stir_protocol,
|
||||
StopStirProtocol: generate_stop_stir_protocol,
|
||||
TransferProtocol: generate_transfer_protocol,
|
||||
CleanVesselProtocol: generate_clean_vessel_protocol,
|
||||
DissolveProtocol: generate_dissolve_protocol,
|
||||
FilterThroughProtocol: generate_filter_through_protocol,
|
||||
RunColumnProtocol: generate_run_column_protocol,
|
||||
WashSolidProtocol: generate_wash_solid_protocol,
|
||||
}
|
||||
@@ -5,7 +5,10 @@ from .pump_protocol import generate_pump_protocol_with_rinsing
|
||||
|
||||
def find_reagent_vessel(G: nx.DiGraph, reagent: str) -> str:
|
||||
"""
|
||||
根据试剂名称查找对应的试剂瓶
|
||||
根据试剂名称查找对应的试剂瓶，支持多种匹配模式：
|
||||
1. 容器名称匹配（如 flask_DMF, reagent_bottle_1-DMF）
|
||||
2. 容器内液体类型匹配（如 liquid_type: "DMF", name: "ethanol"）
|
||||
3. 试剂名称匹配（如 reagent_name: "DMF", config.reagent: "ethyl_acetate"）
|
||||
|
||||
Args:
|
||||
G: 网络图
|
||||
@@ -17,23 +20,184 @@ def find_reagent_vessel(G: nx.DiGraph, reagent: str) -> str:
|
||||
Raises:
|
||||
ValueError: 如果找不到对应的试剂瓶
|
||||
"""
|
||||
# 按照pump_protocol的命名规则查找试剂瓶
|
||||
reagent_vessel_id = f"flask_{reagent}"
|
||||
print(f"ADD_PROTOCOL: 正在查找试剂 '{reagent}' 的容器...")
|
||||
|
||||
if reagent_vessel_id in G.nodes():
|
||||
return reagent_vessel_id
|
||||
# 第一步：通过容器名称匹配
|
||||
possible_names = [
|
||||
f"flask_{reagent}", # flask_DMF, flask_ethanol
|
||||
f"bottle_{reagent}", # bottle_DMF, bottle_ethanol
|
||||
f"vessel_{reagent}", # vessel_DMF, vessel_ethanol
|
||||
f"{reagent}_flask", # DMF_flask, ethanol_flask
|
||||
f"{reagent}_bottle", # DMF_bottle, ethanol_bottle
|
||||
f"{reagent}", # 直接用试剂名
|
||||
f"reagent_{reagent}", # reagent_DMF, reagent_ethanol
|
||||
f"reagent_bottle_{reagent}", # reagent_bottle_DMF
|
||||
]
|
||||
|
||||
# 如果直接匹配失败，尝试模糊匹配
|
||||
for node in G.nodes():
|
||||
if node.startswith('flask_') and reagent.lower() in node.lower():
|
||||
return node
|
||||
# 尝试名称匹配
|
||||
for vessel_name in possible_names:
|
||||
if vessel_name in G.nodes():
|
||||
print(f"ADD_PROTOCOL: 通过名称匹配找到容器: {vessel_name}")
|
||||
return vessel_name
|
||||
|
||||
# 如果还是找不到，列出所有可用的试剂瓶
|
||||
available_flasks = [node for node in G.nodes()
|
||||
if node.startswith('flask_')
|
||||
and G.nodes[node].get('type') == 'container']
|
||||
# 第二步：通过模糊名称匹配（名称中包含试剂名）
|
||||
for node_id in G.nodes():
|
||||
if G.nodes[node_id].get('type') == 'container':
|
||||
# 检查节点ID或名称中是否包含试剂名
|
||||
node_name = G.nodes[node_id].get('name', '').lower()
|
||||
if (reagent.lower() in node_id.lower() or
|
||||
reagent.lower() in node_name):
|
||||
print(f"ADD_PROTOCOL: 通过模糊名称匹配找到容器: {node_id} (名称: {node_name})")
|
||||
return node_id
|
||||
|
||||
raise ValueError(f"找不到试剂 '{reagent}' 对应的试剂瓶。可用试剂瓶: {available_flasks}")
|
||||
# 第三步：通过液体类型匹配
|
||||
for node_id in G.nodes():
|
||||
if G.nodes[node_id].get('type') == 'container':
|
||||
vessel_data = G.nodes[node_id].get('data', {})
|
||||
liquids = vessel_data.get('liquid', [])
|
||||
|
||||
for liquid in liquids:
|
||||
if isinstance(liquid, dict):
|
||||
# 支持两种格式的液体类型字段
|
||||
liquid_type = liquid.get('liquid_type') or liquid.get('name', '')
|
||||
reagent_name = vessel_data.get('reagent_name', '')
|
||||
config_reagent = G.nodes[node_id].get('config', {}).get('reagent', '')
|
||||
|
||||
# 检查多个可能的字段
|
||||
if (liquid_type.lower() == reagent.lower() or
|
||||
reagent_name.lower() == reagent.lower() or
|
||||
config_reagent.lower() == reagent.lower()):
|
||||
print(f"ADD_PROTOCOL: 通过液体类型匹配找到容器: {node_id}")
|
||||
print(f" - liquid_type: {liquid_type}")
|
||||
print(f" - reagent_name: {reagent_name}")
|
||||
print(f" - config.reagent: {config_reagent}")
|
||||
return node_id
|
||||
|
||||
# 第四步：列出所有可用的容器信息帮助调试
|
||||
available_containers = []
|
||||
for node_id in G.nodes():
|
||||
if G.nodes[node_id].get('type') == 'container':
|
||||
vessel_data = G.nodes[node_id].get('data', {})
|
||||
config_data = G.nodes[node_id].get('config', {})
|
||||
liquids = vessel_data.get('liquid', [])
|
||||
|
||||
container_info = {
|
||||
'id': node_id,
|
||||
'name': G.nodes[node_id].get('name', ''),
|
||||
'liquid_types': [],
|
||||
'reagent_name': vessel_data.get('reagent_name', ''),
|
||||
'config_reagent': config_data.get('reagent', '')
|
||||
}
|
||||
|
||||
for liquid in liquids:
|
||||
if isinstance(liquid, dict):
|
||||
liquid_type = liquid.get('liquid_type') or liquid.get('name', '')
|
||||
if liquid_type:
|
||||
container_info['liquid_types'].append(liquid_type)
|
||||
|
||||
available_containers.append(container_info)
|
||||
|
||||
print(f"ADD_PROTOCOL: 可用容器列表:")
|
||||
for container in available_containers:
|
||||
print(f" - {container['id']}: {container['name']}")
|
||||
print(f" 液体类型: {container['liquid_types']}")
|
||||
print(f" 试剂名称: {container['reagent_name']}")
|
||||
print(f" 配置试剂: {container['config_reagent']}")
|
||||
|
||||
raise ValueError(f"找不到试剂 '{reagent}' 对应的试剂瓶。尝试了名称匹配: {possible_names}")
|
||||
|
||||
|
||||
def find_reagent_vessel_by_any_match(G: nx.DiGraph, reagent: str) -> str:
|
||||
"""
|
||||
增强版试剂容器查找，支持各种匹配方式的别名函数
|
||||
"""
|
||||
return find_reagent_vessel(G, reagent)
|
||||
|
||||
|
||||
def get_vessel_reagent_volume(G: nx.DiGraph, vessel: str) -> float:
|
||||
"""获取容器中的试剂体积"""
|
||||
if vessel not in G.nodes():
|
||||
return 0.0
|
||||
|
||||
vessel_data = G.nodes[vessel].get('data', {})
|
||||
liquids = vessel_data.get('liquid', [])
|
||||
|
||||
total_volume = 0.0
|
||||
for liquid in liquids:
|
||||
if isinstance(liquid, dict):
|
||||
# 支持两种格式：新格式 (name, volume) 和旧格式 (liquid_type, liquid_volume)
|
||||
volume = liquid.get('volume') or liquid.get('liquid_volume', 0.0)
|
||||
total_volume += volume
|
||||
|
||||
return total_volume
|
||||
|
||||
|
||||
def get_vessel_reagent_types(G: nx.DiGraph, vessel: str) -> List[str]:
|
||||
"""获取容器中所有试剂的类型"""
|
||||
if vessel not in G.nodes():
|
||||
return []
|
||||
|
||||
vessel_data = G.nodes[vessel].get('data', {})
|
||||
liquids = vessel_data.get('liquid', [])
|
||||
|
||||
reagent_types = []
|
||||
for liquid in liquids:
|
||||
if isinstance(liquid, dict):
|
||||
# 支持两种格式的试剂类型字段
|
||||
reagent_type = liquid.get('liquid_type') or liquid.get('name', '')
|
||||
if reagent_type:
|
||||
reagent_types.append(reagent_type)
|
||||
|
||||
# 同时检查配置中的试剂信息
|
||||
config_reagent = G.nodes[vessel].get('config', {}).get('reagent', '')
|
||||
reagent_name = vessel_data.get('reagent_name', '')
|
||||
|
||||
if config_reagent and config_reagent not in reagent_types:
|
||||
reagent_types.append(config_reagent)
|
||||
if reagent_name and reagent_name not in reagent_types:
|
||||
reagent_types.append(reagent_name)
|
||||
|
||||
return reagent_types
|
||||
|
||||
|
||||
def find_vessels_by_reagent(G: nx.DiGraph, reagent: str) -> List[str]:
|
||||
"""
|
||||
根据试剂类型查找所有匹配的容器
|
||||
返回匹配容器的ID列表
|
||||
"""
|
||||
matching_vessels = []
|
||||
|
||||
for node_id in G.nodes():
|
||||
if G.nodes[node_id].get('type') == 'container':
|
||||
# 检查容器名称匹配
|
||||
node_name = G.nodes[node_id].get('name', '').lower()
|
||||
if reagent.lower() in node_id.lower() or reagent.lower() in node_name:
|
||||
matching_vessels.append(node_id)
|
||||
continue
|
||||
|
||||
# 检查试剂类型匹配
|
||||
vessel_data = G.nodes[node_id].get('data', {})
|
||||
liquids = vessel_data.get('liquid', [])
|
||||
config_data = G.nodes[node_id].get('config', {})
|
||||
|
||||
# 检查 reagent_name 和 config.reagent
|
||||
reagent_name = vessel_data.get('reagent_name', '').lower()
|
||||
config_reagent = config_data.get('reagent', '').lower()
|
||||
|
||||
if (reagent.lower() == reagent_name or
|
||||
reagent.lower() == config_reagent):
|
||||
matching_vessels.append(node_id)
|
||||
continue
|
||||
|
||||
# 检查液体列表
|
||||
for liquid in liquids:
|
||||
if isinstance(liquid, dict):
|
||||
liquid_type = liquid.get('liquid_type') or liquid.get('name', '')
|
||||
if liquid_type.lower() == reagent.lower():
|
||||
matching_vessels.append(node_id)
|
||||
break
|
||||
|
||||
return matching_vessels
|
||||
|
||||
|
||||
def find_connected_stirrer(G: nx.DiGraph, vessel: str) -> str:
|
||||
@@ -49,7 +213,7 @@ def find_connected_stirrer(G: nx.DiGraph, vessel: str) -> str:
|
||||
"""
|
||||
# 查找所有搅拌器节点
|
||||
stirrer_nodes = [node for node in G.nodes()
|
||||
if G.nodes[node].get('class') == 'virtual_stirrer']
|
||||
if (G.nodes[node].get('class') or '') == 'virtual_stirrer']
|
||||
|
||||
# 检查哪个搅拌器与目标容器相连
|
||||
for stirrer in stirrer_nodes:
|
||||
@@ -74,10 +238,10 @@ def generate_add_protocol(
|
||||
purpose: str = "添加试剂"
|
||||
) -> List[Dict[str, Any]]:
|
||||
"""
|
||||
生成添加试剂的协议序列
|
||||
生成添加试剂的协议序列，支持智能试剂匹配
|
||||
|
||||
基于pump_protocol的成熟算法，实现试剂添加功能：
|
||||
1. 自动查找试剂瓶
|
||||
1. 智能查找试剂瓶（支持名称匹配、液体类型匹配、试剂配置匹配）
|
||||
2. **先启动搅拌，再进行转移** - 确保试剂添加更均匀
|
||||
3. 使用pump_protocol实现液体转移
|
||||
|
||||
@@ -102,24 +266,41 @@ def generate_add_protocol(
|
||||
"""
|
||||
action_sequence = []
|
||||
|
||||
print(f"ADD_PROTOCOL: 开始生成添加试剂协议")
|
||||
print(f" - 目标容器: {vessel}")
|
||||
print(f" - 试剂: {reagent}")
|
||||
print(f" - 体积: {volume} mL")
|
||||
print(f" - 质量: {mass} g")
|
||||
print(f" - 搅拌: {stir} (速度: {stir_speed} RPM)")
|
||||
print(f" - 粘稠: {viscous}")
|
||||
print(f" - 目的: {purpose}")
|
||||
|
||||
# 1. 验证目标容器存在
|
||||
if vessel not in G.nodes():
|
||||
raise ValueError(f"目标容器 '{vessel}' 不存在于系统中")
|
||||
|
||||
# 2. 查找试剂瓶
|
||||
# 2. 智能查找试剂瓶
|
||||
try:
|
||||
reagent_vessel = find_reagent_vessel(G, reagent)
|
||||
print(f"ADD_PROTOCOL: 找到试剂容器: {reagent_vessel}")
|
||||
except ValueError as e:
|
||||
raise ValueError(f"无法找到试剂 '{reagent}': {str(e)}")
|
||||
|
||||
# 3. 验证是否存在从试剂瓶到目标容器的路径
|
||||
# 3. 验证试剂容器中的试剂体积
|
||||
available_volume = get_vessel_reagent_volume(G, reagent_vessel)
|
||||
print(f"ADD_PROTOCOL: 试剂容器 {reagent_vessel} 中有 {available_volume} mL 试剂")
|
||||
|
||||
if available_volume < volume:
|
||||
print(f"ADD_PROTOCOL: 警告 - 试剂容器中的试剂不足！需要 {volume} mL，可用 {available_volume} mL")
|
||||
|
||||
# 4. 验证是否存在从试剂瓶到目标容器的路径
|
||||
try:
|
||||
path = nx.shortest_path(G, source=reagent_vessel, target=vessel)
|
||||
print(f"ADD_PROTOCOL: 找到路径 {reagent_vessel} -> {vessel}: {path}")
|
||||
except nx.NetworkXNoPath:
|
||||
raise ValueError(f"从试剂瓶 '{reagent_vessel}' 到目标容器 '{vessel}' 没有可用路径")
|
||||
|
||||
# 4. **先启动搅拌** - 关键改进！
|
||||
# 5. **先启动搅拌** - 关键改进！
|
||||
if stir:
|
||||
try:
|
||||
stirrer_id = find_connected_stirrer(G, vessel)
|
||||
@@ -140,15 +321,21 @@ def generate_add_protocol(
|
||||
|
||||
action_sequence.append(stir_action)
|
||||
print(f"ADD_PROTOCOL: 已添加搅拌动作，速度 {stir_speed} RPM")
|
||||
|
||||
# 等待搅拌稳定
|
||||
action_sequence.append({
|
||||
"action_name": "wait",
|
||||
"action_kwargs": {"time": 5}
|
||||
})
|
||||
else:
|
||||
print(f"ADD_PROTOCOL: 警告 - 需要搅拌但未找到与容器 {vessel} 相连的搅拌器")
|
||||
|
||||
except Exception as e:
|
||||
print(f"ADD_PROTOCOL: 搅拌器配置出错: {str(e)}")
|
||||
|
||||
# 5. 如果指定了体积，执行液体转移
|
||||
# 6. 如果指定了体积，执行液体转移
|
||||
if volume > 0:
|
||||
# 5.1 计算流速参数
|
||||
# 6.1 计算流速参数
|
||||
if time > 0:
|
||||
# 根据时间计算流速
|
||||
transfer_flowrate = volume / time
|
||||
@@ -165,7 +352,7 @@ def generate_add_protocol(
|
||||
print(f"ADD_PROTOCOL: 准备转移 {volume} mL 从 {reagent_vessel} 到 {vessel}")
|
||||
print(f"ADD_PROTOCOL: 转移流速={transfer_flowrate} mL/s, 注入流速={flowrate} mL/s")
|
||||
|
||||
# 5.2 使用pump_protocol的核心算法实现液体转移
|
||||
# 6.2 使用pump_protocol的核心算法实现液体转移
|
||||
try:
|
||||
pump_actions = generate_pump_protocol_with_rinsing(
|
||||
G=G,
|
||||
@@ -190,6 +377,8 @@ def generate_add_protocol(
|
||||
raise ValueError(f"生成泵协议时出错: {str(e)}")
|
||||
|
||||
print(f"ADD_PROTOCOL: 生成了 {len(action_sequence)} 个动作")
|
||||
print(f"ADD_PROTOCOL: 添加试剂协议生成完成")
|
||||
|
||||
return action_sequence
|
||||
|
||||
|
||||
@@ -210,7 +399,7 @@ def generate_add_protocol_with_cleaning(
|
||||
cleaning_repeats: int = 1
|
||||
) -> List[Dict[str, Any]]:
|
||||
"""
|
||||
生成带清洗的添加试剂协议
|
||||
生成带清洗的添加试剂协议，支持智能试剂匹配
|
||||
|
||||
与普通添加协议的区别是会在添加后进行管道清洗
|
||||
|
||||
@@ -235,7 +424,7 @@ def generate_add_protocol_with_cleaning(
|
||||
"""
|
||||
action_sequence = []
|
||||
|
||||
# 1. 查找试剂瓶
|
||||
# 1. 智能查找试剂瓶
|
||||
reagent_vessel = find_reagent_vessel(G, reagent)
|
||||
|
||||
# 2. **先启动搅拌**
|
||||
@@ -252,6 +441,12 @@ def generate_add_protocol_with_cleaning(
|
||||
}
|
||||
})
|
||||
|
||||
# 等待搅拌稳定
|
||||
action_sequence.append({
|
||||
"action_name": "wait",
|
||||
"action_kwargs": {"time": 5}
|
||||
})
|
||||
|
||||
# 3. 计算流速
|
||||
if time > 0:
|
||||
transfer_flowrate = volume / time
|
||||
@@ -296,7 +491,7 @@ def generate_sequential_add_protocol(
|
||||
final_stir_time: float = 300.0
|
||||
) -> List[Dict[str, Any]]:
|
||||
"""
|
||||
生成连续添加多种试剂的协议
|
||||
生成连续添加多种试剂的协议，支持智能试剂匹配
|
||||
|
||||
Args:
|
||||
G: 网络图
|
||||
@@ -313,13 +508,13 @@ def generate_sequential_add_protocol(
|
||||
Example:
|
||||
reagents = [
|
||||
{
|
||||
"reagent": "DMF",
|
||||
"reagent": "DMF", # 会匹配 reagent_bottle_1 (reagent_name: "DMF")
|
||||
"volume": 10.0,
|
||||
"viscous": False,
|
||||
"stir_speed": 300.0
|
||||
},
|
||||
{
|
||||
"reagent": "ethyl_acetate",
|
||||
"reagent": "ethyl_acetate", # 会匹配 reagent_bottle_2 (reagent_name: "ethyl_acetate")
|
||||
"volume": 5.0,
|
||||
"viscous": False,
|
||||
"stir_speed": 350.0
|
||||
@@ -328,14 +523,17 @@ def generate_sequential_add_protocol(
|
||||
"""
|
||||
action_sequence = []
|
||||
|
||||
print(f"ADD_PROTOCOL: 开始连续添加 {len(reagents)} 种试剂到容器 {vessel}")
|
||||
|
||||
for i, reagent_params in enumerate(reagents):
|
||||
print(f"ADD_PROTOCOL: 处理第 {i+1}/{len(reagents)} 个试剂: {reagent_params.get('reagent')}")
|
||||
reagent_name = reagent_params.get('reagent')
|
||||
print(f"ADD_PROTOCOL: 处理第 {i+1}/{len(reagents)} 个试剂: {reagent_name}")
|
||||
|
||||
# 生成单个试剂的添加协议
|
||||
add_actions = generate_add_protocol(
|
||||
G=G,
|
||||
vessel=vessel,
|
||||
reagent=reagent_params.get('reagent'),
|
||||
reagent=reagent_name,
|
||||
volume=reagent_params.get('volume', 0.0),
|
||||
mass=reagent_params.get('mass', 0.0),
|
||||
amount=reagent_params.get('amount', ''),
|
||||
@@ -343,7 +541,7 @@ def generate_sequential_add_protocol(
|
||||
stir=stir_between_additions,
|
||||
stir_speed=reagent_params.get('stir_speed', 300.0),
|
||||
viscous=reagent_params.get('viscous', False),
|
||||
purpose=reagent_params.get('purpose', f'添加试剂 {i+1}')
|
||||
purpose=reagent_params.get('purpose', f'添加试剂 {reagent_name} ({i+1}/{len(reagents)})')
|
||||
)
|
||||
|
||||
action_sequence.extend(add_actions)
|
||||
@@ -352,17 +550,23 @@ def generate_sequential_add_protocol(
|
||||
if i < len(reagents) - 1: # 不是最后一个试剂
|
||||
action_sequence.append({
|
||||
"action_name": "wait",
|
||||
"action_kwargs": {"time": 2}
|
||||
"action_kwargs": {"time": 10} # 试剂混合时间
|
||||
})
|
||||
|
||||
# 最终搅拌
|
||||
if final_stir:
|
||||
stirrer_id = find_connected_stirrer(G, vessel)
|
||||
if stirrer_id:
|
||||
print(f"ADD_PROTOCOL: 添加最终搅拌动作，速度 {final_stir_speed} RPM，时间 {final_stir_time} 秒")
|
||||
action_sequence.extend([
|
||||
{
|
||||
"action_name": "wait",
|
||||
"action_kwargs": {"time": final_stir_time}
|
||||
"device_id": stirrer_id,
|
||||
"action_name": "stir",
|
||||
"action_kwargs": {
|
||||
"stir_time": final_stir_time,
|
||||
"stir_speed": final_stir_speed,
|
||||
"settling_time": 30.0
|
||||
}
|
||||
}
|
||||
])
|
||||
|
||||
@@ -370,10 +574,52 @@ def generate_sequential_add_protocol(
|
||||
return action_sequence
|
||||
|
||||
|
||||
# 便捷函数：常用添加方案
|
||||
def generate_organic_add_protocol(
|
||||
G: nx.DiGraph,
|
||||
vessel: str,
|
||||
organic_reagent: str,
|
||||
volume: float,
|
||||
stir_speed: float = 400.0
|
||||
) -> List[Dict[str, Any]]:
|
||||
"""有机试剂添加：慢速、搅拌"""
|
||||
return generate_add_protocol(
|
||||
G, vessel, organic_reagent, volume, 0.0, "", 0.0,
|
||||
True, stir_speed, False, f"添加有机试剂 {organic_reagent}"
|
||||
)
|
||||
|
||||
|
||||
def generate_viscous_add_protocol(
|
||||
G: nx.DiGraph,
|
||||
vessel: str,
|
||||
viscous_reagent: str,
|
||||
volume: float,
|
||||
addition_time: float = 120.0
|
||||
) -> List[Dict[str, Any]]:
|
||||
"""粘稠试剂添加：慢速、长时间"""
|
||||
return generate_add_protocol(
|
||||
G, vessel, viscous_reagent, volume, 0.0, "", addition_time,
|
||||
True, 250.0, True, f"缓慢添加粘稠试剂 {viscous_reagent}"
|
||||
)
|
||||
|
||||
|
||||
def generate_solvent_add_protocol(
|
||||
G: nx.DiGraph,
|
||||
vessel: str,
|
||||
solvent: str,
|
||||
volume: float
|
||||
) -> List[Dict[str, Any]]:
|
||||
"""溶剂添加：快速、无需特殊处理"""
|
||||
return generate_add_protocol(
|
||||
G, vessel, solvent, volume, 0.0, "", 0.0,
|
||||
False, 300.0, False, f"添加溶剂 {solvent}"
|
||||
)
|
||||
|
||||
|
||||
# 使用示例和测试函数
|
||||
def test_add_protocol():
|
||||
"""测试添加协议的示例"""
|
||||
print("=== ADD PROTOCOL 测试 ===")
|
||||
print("=== ADD PROTOCOL 智能匹配测试 ===")
|
||||
print("测试完成")
|
||||
|
||||
|
||||
|
||||
@@ -5,9 +5,13 @@ from .pump_protocol import generate_pump_protocol
|
||||
|
||||
def find_solvent_vessel(G: nx.DiGraph, solvent: str) -> str:
|
||||
"""
|
||||
查找溶剂容器，支持多种命名模式
|
||||
查找溶剂容器，支持多种匹配模式：
|
||||
1. 容器名称匹配（如 flask_water, reagent_bottle_1-DMF）
|
||||
2. 容器内液体类型匹配（如 liquid_type: "DMF", "ethanol"）
|
||||
"""
|
||||
# 可能的溶剂容器命名模式
|
||||
print(f"CLEAN_VESSEL: 正在查找溶剂 '{solvent}' 的容器...")
|
||||
|
||||
# 第一步：通过容器名称匹配
|
||||
possible_names = [
|
||||
f"flask_{solvent}", # flask_water, flask_ethanol
|
||||
f"bottle_{solvent}", # bottle_water, bottle_ethanol
|
||||
@@ -16,13 +20,87 @@ def find_solvent_vessel(G: nx.DiGraph, solvent: str) -> str:
|
||||
f"{solvent}_bottle", # water_bottle, ethanol_bottle
|
||||
f"{solvent}", # 直接用溶剂名
|
||||
f"solvent_{solvent}", # solvent_water, solvent_ethanol
|
||||
f"reagent_bottle_{solvent}", # reagent_bottle_DMF
|
||||
]
|
||||
|
||||
# 尝试名称匹配
|
||||
for vessel_name in possible_names:
|
||||
if vessel_name in G.nodes():
|
||||
print(f"CLEAN_VESSEL: 通过名称匹配找到容器: {vessel_name}")
|
||||
return vessel_name
|
||||
|
||||
raise ValueError(f"未找到溶剂 '{solvent}' 的容器。尝试了以下名称: {possible_names}")
|
||||
# 第二步：通过模糊名称匹配（名称中包含溶剂名）
|
||||
for node_id in G.nodes():
|
||||
if G.nodes[node_id].get('type') == 'container':
|
||||
# 检查节点ID或名称中是否包含溶剂名
|
||||
node_name = G.nodes[node_id].get('name', '').lower()
|
||||
if (solvent.lower() in node_id.lower() or
|
||||
solvent.lower() in node_name):
|
||||
print(f"CLEAN_VESSEL: 通过模糊名称匹配找到容器: {node_id} (名称: {node_name})")
|
||||
return node_id
|
||||
|
||||
# 第三步：通过液体类型匹配
|
||||
for node_id in G.nodes():
|
||||
if G.nodes[node_id].get('type') == 'container':
|
||||
vessel_data = G.nodes[node_id].get('data', {})
|
||||
liquids = vessel_data.get('liquid', [])
|
||||
|
||||
for liquid in liquids:
|
||||
if isinstance(liquid, dict):
|
||||
# 支持两种格式的液体类型字段
|
||||
liquid_type = liquid.get('liquid_type') or liquid.get('name', '')
|
||||
reagent_name = vessel_data.get('reagent_name', '')
|
||||
config_reagent = G.nodes[node_id].get('config', {}).get('reagent', '')
|
||||
|
||||
# 检查多个可能的字段
|
||||
if (liquid_type.lower() == solvent.lower() or
|
||||
reagent_name.lower() == solvent.lower() or
|
||||
config_reagent.lower() == solvent.lower()):
|
||||
print(f"CLEAN_VESSEL: 通过液体类型匹配找到容器: {node_id}")
|
||||
print(f" - liquid_type: {liquid_type}")
|
||||
print(f" - reagent_name: {reagent_name}")
|
||||
print(f" - config.reagent: {config_reagent}")
|
||||
return node_id
|
||||
|
||||
# 第四步：列出所有可用的容器信息帮助调试
|
||||
available_containers = []
|
||||
for node_id in G.nodes():
|
||||
if G.nodes[node_id].get('type') == 'container':
|
||||
vessel_data = G.nodes[node_id].get('data', {})
|
||||
config_data = G.nodes[node_id].get('config', {})
|
||||
liquids = vessel_data.get('liquid', [])
|
||||
|
||||
container_info = {
|
||||
'id': node_id,
|
||||
'name': G.nodes[node_id].get('name', ''),
|
||||
'liquid_types': [],
|
||||
'reagent_name': vessel_data.get('reagent_name', ''),
|
||||
'config_reagent': config_data.get('reagent', '')
|
||||
}
|
||||
|
||||
for liquid in liquids:
|
||||
if isinstance(liquid, dict):
|
||||
liquid_type = liquid.get('liquid_type') or liquid.get('name', '')
|
||||
if liquid_type:
|
||||
container_info['liquid_types'].append(liquid_type)
|
||||
|
||||
available_containers.append(container_info)
|
||||
|
||||
print(f"CLEAN_VESSEL: 可用容器列表:")
|
||||
for container in available_containers:
|
||||
print(f" - {container['id']}: {container['name']}")
|
||||
print(f" 液体类型: {container['liquid_types']}")
|
||||
print(f" 试剂名称: {container['reagent_name']}")
|
||||
print(f" 配置试剂: {container['config_reagent']}")
|
||||
|
||||
raise ValueError(f"未找到溶剂 '{solvent}' 的容器。尝试了名称匹配: {possible_names}")
|
||||
|
||||
|
||||
def find_solvent_vessel_by_any_match(G: nx.DiGraph, solvent: str) -> str:
|
||||
"""
|
||||
增强版溶剂容器查找，支持各种匹配方式的别名函数
|
||||
"""
|
||||
return find_solvent_vessel(G, solvent)
|
||||
|
||||
|
||||
def find_waste_vessel(G: nx.DiGraph) -> str:
|
||||
@@ -282,3 +360,80 @@ def generate_organic_clean_protocol(
|
||||
action_sequence.extend(water_actions)
|
||||
|
||||
return action_sequence
|
||||
|
||||
|
||||
def get_vessel_liquid_volume(G: nx.DiGraph, vessel: str) -> float:
|
||||
"""获取容器中的液体体积（修复版）"""
|
||||
if vessel not in G.nodes():
|
||||
return 0.0
|
||||
|
||||
vessel_data = G.nodes[vessel].get('data', {})
|
||||
liquids = vessel_data.get('liquid', [])
|
||||
|
||||
total_volume = 0.0
|
||||
for liquid in liquids:
|
||||
if isinstance(liquid, dict):
|
||||
# 支持两种格式：新格式 (name, volume) 和旧格式 (liquid_type, liquid_volume)
|
||||
volume = liquid.get('volume') or liquid.get('liquid_volume', 0.0)
|
||||
total_volume += volume
|
||||
|
||||
return total_volume
|
||||
|
||||
|
||||
def get_vessel_liquid_types(G: nx.DiGraph, vessel: str) -> List[str]:
|
||||
"""获取容器中所有液体的类型"""
|
||||
if vessel not in G.nodes():
|
||||
return []
|
||||
|
||||
vessel_data = G.nodes[vessel].get('data', {})
|
||||
liquids = vessel_data.get('liquid', [])
|
||||
|
||||
liquid_types = []
|
||||
for liquid in liquids:
|
||||
if isinstance(liquid, dict):
|
||||
# 支持两种格式的液体类型字段
|
||||
liquid_type = liquid.get('liquid_type') or liquid.get('name', '')
|
||||
if liquid_type:
|
||||
liquid_types.append(liquid_type)
|
||||
|
||||
return liquid_types
|
||||
|
||||
|
||||
def find_vessel_by_content(G: nx.DiGraph, content: str) -> List[str]:
|
||||
"""
|
||||
根据内容物查找所有匹配的容器
|
||||
返回匹配容器的ID列表
|
||||
"""
|
||||
matching_vessels = []
|
||||
|
||||
for node_id in G.nodes():
|
||||
if G.nodes[node_id].get('type') == 'container':
|
||||
# 检查容器名称匹配
|
||||
node_name = G.nodes[node_id].get('name', '').lower()
|
||||
if content.lower() in node_id.lower() or content.lower() in node_name:
|
||||
matching_vessels.append(node_id)
|
||||
continue
|
||||
|
||||
# 检查液体类型匹配
|
||||
vessel_data = G.nodes[node_id].get('data', {})
|
||||
liquids = vessel_data.get('liquid', [])
|
||||
config_data = G.nodes[node_id].get('config', {})
|
||||
|
||||
# 检查 reagent_name 和 config.reagent
|
||||
reagent_name = vessel_data.get('reagent_name', '').lower()
|
||||
config_reagent = config_data.get('reagent', '').lower()
|
||||
|
||||
if (content.lower() == reagent_name or
|
||||
content.lower() == config_reagent):
|
||||
matching_vessels.append(node_id)
|
||||
continue
|
||||
|
||||
# 检查液体列表
|
||||
for liquid in liquids:
|
||||
if isinstance(liquid, dict):
|
||||
liquid_type = liquid.get('liquid_type') or liquid.get('name', '')
|
||||
if liquid_type.lower() == content.lower():
|
||||
matching_vessels.append(node_id)
|
||||
break
|
||||
|
||||
return matching_vessels
|
||||
@@ -1,5 +1,72 @@
|
||||
from typing import List, Dict, Any
|
||||
import networkx as nx
|
||||
from .pump_protocol import generate_pump_protocol
|
||||
|
||||
|
||||
def get_vessel_liquid_volume(G: nx.DiGraph, vessel: str) -> float:
|
||||
"""获取容器中的液体体积"""
|
||||
if vessel not in G.nodes():
|
||||
return 0.0
|
||||
|
||||
vessel_data = G.nodes[vessel].get('data', {})
|
||||
liquids = vessel_data.get('liquid', [])
|
||||
|
||||
total_volume = 0.0
|
||||
for liquid in liquids:
|
||||
if isinstance(liquid, dict) and 'liquid_volume' in liquid:
|
||||
total_volume += liquid['liquid_volume']
|
||||
|
||||
return total_volume
|
||||
|
||||
|
||||
def find_filter_through_vessel(G: nx.DiGraph, filter_through: str) -> str:
|
||||
"""查找过滤介质容器"""
|
||||
# 直接使用 filter_through 参数作为容器名称
|
||||
if filter_through in G.nodes():
|
||||
return filter_through
|
||||
|
||||
# 尝试常见的过滤介质容器命名
|
||||
possible_names = [
|
||||
f"filter_{filter_through}",
|
||||
f"{filter_through}_filter",
|
||||
f"column_{filter_through}",
|
||||
f"{filter_through}_column",
|
||||
"filter_through_vessel",
|
||||
"column_vessel",
|
||||
"chromatography_column",
|
||||
"filter_column"
|
||||
]
|
||||
|
||||
for vessel_name in possible_names:
|
||||
if vessel_name in G.nodes():
|
||||
return vessel_name
|
||||
|
||||
raise ValueError(f"未找到过滤介质容器 '{filter_through}'。尝试了以下名称: {[filter_through] + possible_names}")
|
||||
|
||||
|
||||
def find_eluting_solvent_vessel(G: nx.DiGraph, eluting_solvent: str) -> str:
|
||||
"""查找洗脱溶剂容器"""
|
||||
if not eluting_solvent:
|
||||
return ""
|
||||
|
||||
# 按照命名规则查找溶剂瓶
|
||||
solvent_vessel_id = f"flask_{eluting_solvent}"
|
||||
|
||||
if solvent_vessel_id in G.nodes():
|
||||
return solvent_vessel_id
|
||||
|
||||
# 如果直接匹配失败，尝试模糊匹配
|
||||
for node in G.nodes():
|
||||
if node.startswith('flask_') and eluting_solvent.lower() in node.lower():
|
||||
return node
|
||||
|
||||
# 如果还是找不到，列出所有可用的溶剂瓶
|
||||
available_flasks = [node for node in G.nodes()
|
||||
if node.startswith('flask_')
|
||||
and G.nodes[node].get('type') == 'container']
|
||||
|
||||
raise ValueError(f"找不到洗脱溶剂 '{eluting_solvent}' 对应的溶剂瓶。可用溶剂瓶: {available_flasks}")
|
||||
|
||||
|
||||
def generate_filter_through_protocol(
|
||||
G: nx.DiGraph,
|
||||
@@ -12,10 +79,15 @@ def generate_filter_through_protocol(
|
||||
residence_time: float = 0.0
|
||||
) -> List[Dict[str, Any]]:
|
||||
"""
|
||||
生成通过过滤介质过滤的协议序列
|
||||
生成通过过滤介质过滤的协议序列，复用 pump_protocol 的成熟算法
|
||||
|
||||
过滤流程：
|
||||
1. 液体转移：将样品从源容器转移到过滤介质
|
||||
2. 重力过滤：液体通过过滤介质自动流到目标容器
|
||||
3. 洗脱操作：将洗脱溶剂通过过滤介质洗脱目标物质
|
||||
|
||||
Args:
|
||||
G: 有向图，节点为设备和容器
|
||||
G: 有向图，节点为设备和容器，边为流体管道
|
||||
from_vessel: 源容器的名称，即物质起始所在的容器
|
||||
to_vessel: 目标容器的名称，物质过滤后要到达的容器
|
||||
filter_through: 过滤时所通过的介质，如滤纸、柱子等
|
||||
@@ -28,123 +100,288 @@ def generate_filter_through_protocol(
|
||||
List[Dict[str, Any]]: 过滤操作的动作序列
|
||||
|
||||
Raises:
|
||||
ValueError: 当找不到必要的设备时抛出异常
|
||||
ValueError: 当找不到必要的设备或容器时
|
||||
|
||||
Examples:
|
||||
filter_through_protocol = generate_filter_through_protocol(
|
||||
G, "reactor", "collection_flask", "celite", "ethanol", 50.0, 2, 60.0
|
||||
filter_through_actions = generate_filter_through_protocol(
|
||||
G, "reaction_mixture", "collection_bottle_1", "celite", "ethanol", 20.0, 2, 30.0
|
||||
)
|
||||
"""
|
||||
action_sequence = []
|
||||
|
||||
# 验证容器是否存在
|
||||
print(f"FILTER_THROUGH: 开始生成通过过滤协议")
|
||||
print(f" - 源容器: {from_vessel}")
|
||||
print(f" - 目标容器: {to_vessel}")
|
||||
print(f" - 过滤介质: {filter_through}")
|
||||
print(f" - 洗脱溶剂: {eluting_solvent}")
|
||||
print(f" - 洗脱体积: {eluting_volume} mL" if eluting_volume > 0 else " - 洗脱体积: 无")
|
||||
print(f" - 洗脱重复次数: {eluting_repeats}")
|
||||
print(f" - 停留时间: {residence_time}s" if residence_time > 0 else " - 停留时间: 无")
|
||||
|
||||
# 验证源容器和目标容器存在
|
||||
if from_vessel not in G.nodes():
|
||||
raise ValueError(f"源容器 {from_vessel} 不存在于图中")
|
||||
raise ValueError(f"源容器 '{from_vessel}' 不存在于系统中")
|
||||
|
||||
if to_vessel not in G.nodes():
|
||||
raise ValueError(f"目标容器 {to_vessel} 不存在于图中")
|
||||
raise ValueError(f"目标容器 '{to_vessel}' 不存在于系统中")
|
||||
|
||||
# 查找转移泵设备（用于液体转移）
|
||||
pump_nodes = [node for node in G.nodes()
|
||||
if G.nodes[node].get('class') == 'virtual_transfer_pump']
|
||||
# 获取源容器中的液体体积
|
||||
source_volume = get_vessel_liquid_volume(G, from_vessel)
|
||||
print(f"FILTER_THROUGH: 源容器 {from_vessel} 中有 {source_volume} mL 液体")
|
||||
|
||||
if not pump_nodes:
|
||||
raise ValueError("没有找到可用的转移泵设备")
|
||||
# 查找过滤介质容器
|
||||
try:
|
||||
filter_through_vessel = find_filter_through_vessel(G, filter_through)
|
||||
print(f"FILTER_THROUGH: 找到过滤介质容器: {filter_through_vessel}")
|
||||
except ValueError as e:
|
||||
raise ValueError(f"无法找到过滤介质容器: {str(e)}")
|
||||
|
||||
pump_id = pump_nodes[0]
|
||||
# 查找洗脱溶剂容器（如果需要）
|
||||
eluting_vessel = ""
|
||||
if eluting_solvent and eluting_volume > 0 and eluting_repeats > 0:
|
||||
try:
|
||||
eluting_vessel = find_eluting_solvent_vessel(G, eluting_solvent)
|
||||
print(f"FILTER_THROUGH: 找到洗脱溶剂容器: {eluting_vessel}")
|
||||
except ValueError as e:
|
||||
raise ValueError(f"无法找到洗脱溶剂容器: {str(e)}")
|
||||
|
||||
# 查找过滤设备（可选，如果有专门的过滤设备）
|
||||
filter_nodes = [node for node in G.nodes()
|
||||
if G.nodes[node].get('class') == 'virtual_filter']
|
||||
# === 第一步：将样品从源容器转移到过滤介质 ===
|
||||
transfer_volume = source_volume if source_volume > 0 else 100.0 # 默认100mL
|
||||
print(f"FILTER_THROUGH: 将 {transfer_volume} mL 样品从 {from_vessel} 转移到 {filter_through_vessel}")
|
||||
|
||||
filter_id = filter_nodes[0] if filter_nodes else None
|
||||
try:
|
||||
# 使用成熟的 pump_protocol 算法进行液体转移
|
||||
sample_transfer_actions = generate_pump_protocol(
|
||||
G=G,
|
||||
from_vessel=from_vessel,
|
||||
to_vessel=filter_through_vessel,
|
||||
volume=transfer_volume,
|
||||
flowrate=0.8, # 较慢的流速，避免冲击过滤介质
|
||||
transfer_flowrate=1.2
|
||||
)
|
||||
action_sequence.extend(sample_transfer_actions)
|
||||
except Exception as e:
|
||||
raise ValueError(f"无法将样品转移到过滤介质: {str(e)}")
|
||||
|
||||
# 查找洗脱溶剂容器（如果需要洗脱）
|
||||
eluting_vessel = None
|
||||
if eluting_solvent and eluting_volume > 0:
|
||||
eluting_vessel = f"flask_{eluting_solvent}"
|
||||
if eluting_vessel not in G.nodes():
|
||||
# 查找可用的溶剂容器
|
||||
available_vessels = [node for node in G.nodes()
|
||||
if node.startswith('flask_') and
|
||||
G.nodes[node].get('type') == 'container']
|
||||
if available_vessels:
|
||||
eluting_vessel = available_vessels[0]
|
||||
else:
|
||||
raise ValueError(f"没有找到洗脱溶剂容器 {eluting_solvent}")
|
||||
|
||||
# 步骤1：将样品从源容器转移到过滤装置（模拟通过过滤介质）
|
||||
# 这里我们将过滤过程分解为多个转移步骤来模拟通过介质的过程
|
||||
|
||||
# 首先转移样品（模拟样品通过过滤介质）
|
||||
action_sequence.append({
|
||||
"device_id": pump_id,
|
||||
"action_name": "transfer",
|
||||
"action_kwargs": {
|
||||
"from_vessel": from_vessel,
|
||||
"to_vessel": to_vessel,
|
||||
"volume": 0.0, # 转移所有液体，体积由系统确定
|
||||
"amount": f"通过 {filter_through} 过滤",
|
||||
"time": residence_time if residence_time > 0 else 0.0,
|
||||
"viscous": False,
|
||||
"rinsing_solvent": "",
|
||||
"rinsing_volume": 0.0,
|
||||
"rinsing_repeats": 0,
|
||||
"solid": True # 通过过滤介质可能涉及固体分离
|
||||
}
|
||||
})
|
||||
|
||||
# 步骤2：如果有专门的过滤设备，使用过滤设备处理
|
||||
if filter_id:
|
||||
# === 第二步：等待样品通过过滤介质（停留时间） ===
|
||||
if residence_time > 0:
|
||||
print(f"FILTER_THROUGH: 等待样品在过滤介质中停留 {residence_time}s")
|
||||
action_sequence.append({
|
||||
"device_id": filter_id,
|
||||
"action_name": "filter_sample",
|
||||
"action_kwargs": {
|
||||
"vessel": to_vessel,
|
||||
"filtrate_vessel": to_vessel,
|
||||
"stir": False,
|
||||
"stir_speed": 0.0,
|
||||
"temp": 25.0,
|
||||
"continue_heatchill": False,
|
||||
"volume": 0.0
|
||||
}
|
||||
"action_name": "wait",
|
||||
"action_kwargs": {"time": residence_time}
|
||||
})
|
||||
else:
|
||||
# 即使没有指定停留时间，也等待一段时间让液体通过
|
||||
default_wait_time = max(10, transfer_volume / 10) # 根据体积估算等待时间
|
||||
print(f"FILTER_THROUGH: 等待样品通过过滤介质 {default_wait_time}s")
|
||||
action_sequence.append({
|
||||
"action_name": "wait",
|
||||
"action_kwargs": {"time": default_wait_time}
|
||||
})
|
||||
|
||||
# 步骤3：洗脱操作（如果指定了洗脱溶剂和重复次数）
|
||||
# === 第三步：洗脱操作（如果指定了洗脱参数） ===
|
||||
if eluting_solvent and eluting_volume > 0 and eluting_repeats > 0 and eluting_vessel:
|
||||
for repeat in range(eluting_repeats):
|
||||
# 添加洗脱溶剂
|
||||
print(f"FILTER_THROUGH: 开始洗脱操作 - {eluting_repeats} 次，每次 {eluting_volume} mL {eluting_solvent}")
|
||||
|
||||
for repeat_idx in range(eluting_repeats):
|
||||
print(f"FILTER_THROUGH: 第 {repeat_idx + 1}/{eluting_repeats} 次洗脱")
|
||||
|
||||
try:
|
||||
# 将洗脱溶剂转移到过滤介质
|
||||
eluting_transfer_actions = generate_pump_protocol(
|
||||
G=G,
|
||||
from_vessel=eluting_vessel,
|
||||
to_vessel=filter_through_vessel,
|
||||
volume=eluting_volume,
|
||||
flowrate=0.6, # 洗脱用更慢的流速
|
||||
transfer_flowrate=1.0
|
||||
)
|
||||
action_sequence.extend(eluting_transfer_actions)
|
||||
except Exception as e:
|
||||
raise ValueError(f"第 {repeat_idx + 1} 次洗脱转移失败: {str(e)}")
|
||||
|
||||
# 等待洗脱溶剂通过过滤介质
|
||||
eluting_wait_time = max(30, eluting_volume / 5) # 根据洗脱体积估算等待时间
|
||||
print(f"FILTER_THROUGH: 等待第 {repeat_idx + 1} 次洗脱液通过 {eluting_wait_time}s")
|
||||
action_sequence.append({
|
||||
"device_id": pump_id,
|
||||
"action_name": "transfer",
|
||||
"action_kwargs": {
|
||||
"from_vessel": eluting_vessel,
|
||||
"to_vessel": to_vessel,
|
||||
"volume": eluting_volume,
|
||||
"amount": f"洗脱溶剂 {eluting_solvent} - 第 {repeat + 1} 次",
|
||||
"time": 0.0,
|
||||
"viscous": False,
|
||||
"rinsing_solvent": "",
|
||||
"rinsing_volume": 0.0,
|
||||
"rinsing_repeats": 0,
|
||||
"solid": False
|
||||
}
|
||||
"action_name": "wait",
|
||||
"action_kwargs": {"time": eluting_wait_time}
|
||||
})
|
||||
|
||||
# 如果有过滤设备，再次过滤洗脱液
|
||||
if filter_id:
|
||||
# 洗脱间隔等待
|
||||
if repeat_idx < eluting_repeats - 1: # 不是最后一次洗脱
|
||||
action_sequence.append({
|
||||
"device_id": filter_id,
|
||||
"action_name": "filter_sample",
|
||||
"action_kwargs": {
|
||||
"vessel": to_vessel,
|
||||
"filtrate_vessel": to_vessel,
|
||||
"stir": False,
|
||||
"stir_speed": 0.0,
|
||||
"temp": 25.0,
|
||||
"continue_heatchill": False,
|
||||
"volume": eluting_volume
|
||||
}
|
||||
"action_name": "wait",
|
||||
"action_kwargs": {"time": 10}
|
||||
})
|
||||
|
||||
# === 第四步：最终等待，确保所有液体完全通过 ===
|
||||
print(f"FILTER_THROUGH: 最终等待，确保所有液体完全通过过滤介质")
|
||||
action_sequence.append({
|
||||
"action_name": "wait",
|
||||
"action_kwargs": {"time": 20}
|
||||
})
|
||||
|
||||
print(f"FILTER_THROUGH: 生成了 {len(action_sequence)} 个动作")
|
||||
print(f"FILTER_THROUGH: 通过过滤协议生成完成")
|
||||
print(f"FILTER_THROUGH: 样品从 {from_vessel} 通过 {filter_through} 到达 {to_vessel}")
|
||||
if eluting_repeats > 0:
|
||||
total_eluting_volume = eluting_volume * eluting_repeats
|
||||
print(f"FILTER_THROUGH: 总洗脱体积: {total_eluting_volume} mL {eluting_solvent}")
|
||||
|
||||
return action_sequence
|
||||
|
||||
|
||||
# 便捷函数：常用过滤方案
|
||||
def generate_gravity_column_protocol(
|
||||
G: nx.DiGraph,
|
||||
from_vessel: str,
|
||||
to_vessel: str,
|
||||
column_material: str = "silica_gel"
|
||||
) -> List[Dict[str, Any]]:
|
||||
"""重力柱层析：简单重力过滤，无洗脱"""
|
||||
return generate_filter_through_protocol(G, from_vessel, to_vessel, column_material, "", 0.0, 0, 0.0)
|
||||
|
||||
|
||||
def generate_celite_filter_protocol(
|
||||
G: nx.DiGraph,
|
||||
from_vessel: str,
|
||||
to_vessel: str,
|
||||
wash_solvent: str = "ethanol",
|
||||
wash_volume: float = 20.0
|
||||
) -> List[Dict[str, Any]]:
|
||||
"""硅藻土过滤：用于去除固体杂质"""
|
||||
return generate_filter_through_protocol(G, from_vessel, to_vessel, "celite", wash_solvent, wash_volume, 1, 30.0)
|
||||
|
||||
|
||||
def generate_column_chromatography_protocol(
|
||||
G: nx.DiGraph,
|
||||
from_vessel: str,
|
||||
to_vessel: str,
|
||||
column_material: str = "silica_gel",
|
||||
eluting_solvent: str = "ethyl_acetate",
|
||||
eluting_volume: float = 30.0,
|
||||
eluting_repeats: int = 3
|
||||
) -> List[Dict[str, Any]]:
|
||||
"""柱层析：多次洗脱分离"""
|
||||
return generate_filter_through_protocol(
|
||||
G, from_vessel, to_vessel, column_material, eluting_solvent, eluting_volume, eluting_repeats, 60.0
|
||||
)
|
||||
|
||||
|
||||
def generate_solid_phase_extraction_protocol(
|
||||
G: nx.DiGraph,
|
||||
from_vessel: str,
|
||||
to_vessel: str,
|
||||
spe_cartridge: str = "C18",
|
||||
eluting_solvent: str = "methanol",
|
||||
eluting_volume: float = 15.0,
|
||||
eluting_repeats: int = 2
|
||||
) -> List[Dict[str, Any]]:
|
||||
"""固相萃取：C18柱或其他SPE柱"""
|
||||
return generate_filter_through_protocol(
|
||||
G, from_vessel, to_vessel, spe_cartridge, eluting_solvent, eluting_volume, eluting_repeats, 120.0
|
||||
)
|
||||
|
||||
|
||||
def generate_resin_filter_protocol(
|
||||
G: nx.DiGraph,
|
||||
from_vessel: str,
|
||||
to_vessel: str,
|
||||
resin_type: str = "ion_exchange",
|
||||
regeneration_solvent: str = "NaCl_solution",
|
||||
regeneration_volume: float = 25.0
|
||||
) -> List[Dict[str, Any]]:
|
||||
"""树脂过滤：离子交换树脂或其他功能树脂"""
|
||||
return generate_filter_through_protocol(
|
||||
G, from_vessel, to_vessel, resin_type, regeneration_solvent, regeneration_volume, 1, 180.0
|
||||
)
|
||||
|
||||
|
||||
def generate_multi_step_purification_protocol(
|
||||
G: nx.DiGraph,
|
||||
from_vessel: str,
|
||||
to_vessel: str,
|
||||
filter_steps: List[Dict[str, Any]]
|
||||
) -> List[Dict[str, Any]]:
|
||||
"""
|
||||
多步骤纯化：连续多个过滤介质
|
||||
|
||||
Args:
|
||||
G: 网络图
|
||||
from_vessel: 源容器
|
||||
to_vessel: 最终目标容器
|
||||
filter_steps: 过滤步骤列表，每个元素包含过滤参数
|
||||
|
||||
Returns:
|
||||
List[Dict[str, Any]]: 完整的动作序列
|
||||
|
||||
Example:
|
||||
filter_steps = [
|
||||
{
|
||||
"to_vessel": "intermediate_vessel_1",
|
||||
"filter_through": "celite",
|
||||
"eluting_solvent": "",
|
||||
"eluting_volume": 0.0,
|
||||
"eluting_repeats": 0,
|
||||
"residence_time": 30.0
|
||||
},
|
||||
{
|
||||
"from_vessel": "intermediate_vessel_1",
|
||||
"to_vessel": "final_vessel",
|
||||
"filter_through": "silica_gel",
|
||||
"eluting_solvent": "ethyl_acetate",
|
||||
"eluting_volume": 20.0,
|
||||
"eluting_repeats": 2,
|
||||
"residence_time": 60.0
|
||||
}
|
||||
]
|
||||
"""
|
||||
action_sequence = []
|
||||
|
||||
current_from_vessel = from_vessel
|
||||
|
||||
for i, step in enumerate(filter_steps):
|
||||
print(f"FILTER_THROUGH: 处理第 {i+1}/{len(filter_steps)} 个过滤步骤")
|
||||
|
||||
# 使用步骤中指定的参数，或使用默认值
|
||||
step_from_vessel = step.get('from_vessel', current_from_vessel)
|
||||
step_to_vessel = step.get('to_vessel', to_vessel if i == len(filter_steps) - 1 else f"intermediate_vessel_{i+1}")
|
||||
|
||||
# 生成单个过滤步骤的协议
|
||||
step_actions = generate_filter_through_protocol(
|
||||
G=G,
|
||||
from_vessel=step_from_vessel,
|
||||
to_vessel=step_to_vessel,
|
||||
filter_through=step.get('filter_through', 'silica_gel'),
|
||||
eluting_solvent=step.get('eluting_solvent', ''),
|
||||
eluting_volume=step.get('eluting_volume', 0.0),
|
||||
eluting_repeats=step.get('eluting_repeats', 0),
|
||||
residence_time=step.get('residence_time', 0.0)
|
||||
)
|
||||
|
||||
action_sequence.extend(step_actions)
|
||||
|
||||
# 更新下一步的源容器
|
||||
current_from_vessel = step_to_vessel
|
||||
|
||||
# 在步骤之间加入等待时间
|
||||
if i < len(filter_steps) - 1: # 不是最后一个步骤
|
||||
action_sequence.append({
|
||||
"action_name": "wait",
|
||||
"action_kwargs": {"time": 15}
|
||||
})
|
||||
|
||||
print(f"FILTER_THROUGH: 多步骤纯化协议生成完成，共 {len(action_sequence)} 个动作")
|
||||
return action_sequence
|
||||
|
||||
|
||||
# 测试函数
|
||||
def test_filter_through_protocol():
|
||||
"""测试通过过滤协议的示例"""
|
||||
print("=== FILTER THROUGH PROTOCOL 测试 ===")
|
||||
print("测试完成")
|
||||
|
||||
|
||||
if __name__ == "__main__":
|
||||
test_filter_through_protocol()
|
||||
@@ -8,7 +8,8 @@ def is_integrated_pump(node_name):
|
||||
|
||||
def find_connected_pump(G, valve_node):
|
||||
for neighbor in G.neighbors(valve_node):
|
||||
if "pump" in G.nodes[neighbor]["class"]:
|
||||
node_class = G.nodes[neighbor].get("class") or "" # 防止 None
|
||||
if "pump" in node_class:
|
||||
return neighbor
|
||||
raise ValueError(f"未找到与阀 {valve_node} 唯一相连的泵节点")
|
||||
|
||||
|
||||
@@ -1,5 +1,87 @@
|
||||
from typing import List, Dict, Any
|
||||
import networkx as nx
|
||||
from .pump_protocol import generate_pump_protocol
|
||||
|
||||
|
||||
def get_vessel_liquid_volume(G: nx.DiGraph, vessel: str) -> float:
|
||||
"""获取容器中的液体体积"""
|
||||
if vessel not in G.nodes():
|
||||
return 0.0
|
||||
|
||||
vessel_data = G.nodes[vessel].get('data', {})
|
||||
liquids = vessel_data.get('liquid', [])
|
||||
|
||||
total_volume = 0.0
|
||||
for liquid in liquids:
|
||||
if isinstance(liquid, dict):
|
||||
# 支持两种格式：新格式 (name, volume) 和旧格式 (liquid_type, liquid_volume)
|
||||
volume = liquid.get('volume') or liquid.get('liquid_volume', 0.0)
|
||||
total_volume += volume
|
||||
|
||||
return total_volume
|
||||
|
||||
|
||||
def find_column_device(G: nx.DiGraph, column: str) -> str:
|
||||
"""查找柱层析设备"""
|
||||
# 首先检查是否有虚拟柱设备
|
||||
column_nodes = [node for node in G.nodes()
|
||||
if (G.nodes[node].get('class') or '') == 'virtual_column']
|
||||
|
||||
if column_nodes:
|
||||
return column_nodes[0]
|
||||
|
||||
# 如果没有虚拟柱设备，抛出异常
|
||||
raise ValueError(f"系统中未找到柱层析设备。请确保配置了 virtual_column 设备")
|
||||
|
||||
|
||||
def find_column_vessel(G: nx.DiGraph, column: str) -> str:
|
||||
"""查找柱容器"""
|
||||
# 直接使用 column 参数作为容器名称
|
||||
if column in G.nodes():
|
||||
return column
|
||||
|
||||
# 尝试常见的柱容器命名规则
|
||||
possible_names = [
|
||||
f"column_{column}",
|
||||
f"{column}_column",
|
||||
f"vessel_{column}",
|
||||
f"{column}_vessel",
|
||||
"column_vessel",
|
||||
"chromatography_column",
|
||||
"silica_column",
|
||||
"preparative_column"
|
||||
]
|
||||
|
||||
for vessel_name in possible_names:
|
||||
if vessel_name in G.nodes():
|
||||
return vessel_name
|
||||
|
||||
raise ValueError(f"未找到柱容器 '{column}'。尝试了以下名称: {[column] + possible_names}")
|
||||
|
||||
|
||||
def find_eluting_solvent_vessel(G: nx.DiGraph, eluting_solvent: str) -> str:
|
||||
"""查找洗脱溶剂容器"""
|
||||
if not eluting_solvent:
|
||||
return ""
|
||||
|
||||
# 按照命名规则查找溶剂瓶
|
||||
solvent_vessel_id = f"flask_{eluting_solvent}"
|
||||
|
||||
if solvent_vessel_id in G.nodes():
|
||||
return solvent_vessel_id
|
||||
|
||||
# 如果直接匹配失败，尝试模糊匹配
|
||||
for node in G.nodes():
|
||||
if node.startswith('flask_') and eluting_solvent.lower() in node.lower():
|
||||
return node
|
||||
|
||||
# 如果还是找不到，列出所有可用的溶剂瓶
|
||||
available_flasks = [node for node in G.nodes()
|
||||
if node.startswith('flask_')
|
||||
and G.nodes[node].get('type') == 'container']
|
||||
|
||||
raise ValueError(f"找不到洗脱溶剂 '{eluting_solvent}' 对应的溶剂瓶。可用溶剂瓶: {available_flasks}")
|
||||
|
||||
|
||||
def generate_run_column_protocol(
|
||||
G: nx.DiGraph,
|
||||
@@ -11,92 +93,220 @@ def generate_run_column_protocol(
|
||||
生成柱层析分离的协议序列
|
||||
|
||||
Args:
|
||||
G: 有向图，节点为设备和容器
|
||||
G: 有向图，节点为设备和容器，边为流体管道
|
||||
from_vessel: 源容器的名称，即样品起始所在的容器
|
||||
to_vessel: 目标容器的名称，分离后的样品要到达的容器
|
||||
column: 所使用的柱子的名称
|
||||
|
||||
Returns:
|
||||
List[Dict[str, Any]]: 柱层析分离操作的动作序列
|
||||
|
||||
Raises:
|
||||
ValueError: 当找不到必要的设备时抛出异常
|
||||
|
||||
Examples:
|
||||
run_column_protocol = generate_run_column_protocol(G, "reactor", "collection_flask", "silica_column")
|
||||
"""
|
||||
action_sequence = []
|
||||
|
||||
# 验证容器是否存在
|
||||
print(f"RUN_COLUMN: 开始生成柱层析协议")
|
||||
print(f" - 源容器: {from_vessel}")
|
||||
print(f" - 目标容器: {to_vessel}")
|
||||
print(f" - 柱子: {column}")
|
||||
|
||||
# 验证源容器和目标容器存在
|
||||
if from_vessel not in G.nodes():
|
||||
raise ValueError(f"源容器 {from_vessel} 不存在于图中")
|
||||
raise ValueError(f"源容器 '{from_vessel}' 不存在于系统中")
|
||||
|
||||
if to_vessel not in G.nodes():
|
||||
raise ValueError(f"目标容器 {to_vessel} 不存在于图中")
|
||||
|
||||
# 查找转移泵设备（用于样品转移）
|
||||
pump_nodes = [node for node in G.nodes()
|
||||
if G.nodes[node].get('class') == 'virtual_transfer_pump']
|
||||
|
||||
if not pump_nodes:
|
||||
raise ValueError("没有找到可用的转移泵设备")
|
||||
|
||||
pump_id = pump_nodes[0]
|
||||
raise ValueError(f"目标容器 '{to_vessel}' 不存在于系统中")
|
||||
|
||||
# 查找柱层析设备
|
||||
column_device_id = None
|
||||
column_nodes = [node for node in G.nodes()
|
||||
if G.nodes[node].get('class') == 'virtual_column']
|
||||
if (G.nodes[node].get('class') or '') == 'virtual_column']
|
||||
|
||||
if not column_nodes:
|
||||
raise ValueError("没有找到可用的柱层析设备")
|
||||
if column_nodes:
|
||||
column_device_id = column_nodes[0]
|
||||
print(f"RUN_COLUMN: 找到柱层析设备: {column_device_id}")
|
||||
else:
|
||||
print(f"RUN_COLUMN: 警告 - 未找到柱层析设备")
|
||||
|
||||
column_id = column_nodes[0]
|
||||
# 获取源容器中的液体体积
|
||||
source_volume = get_vessel_liquid_volume(G, from_vessel)
|
||||
print(f"RUN_COLUMN: 源容器 {from_vessel} 中有 {source_volume} mL 液体")
|
||||
|
||||
# 步骤1：将样品从源容器转移到柱子上
|
||||
action_sequence.append({
|
||||
"device_id": pump_id,
|
||||
"action_name": "transfer",
|
||||
"action_kwargs": {
|
||||
"from_vessel": from_vessel,
|
||||
"to_vessel": column_id, # 将样品转移到柱子设备
|
||||
"volume": 0.0, # 转移所有液体，体积由系统确定
|
||||
"amount": f"样品上柱 - 使用 {column}",
|
||||
"time": 0.0,
|
||||
"viscous": False,
|
||||
"rinsing_solvent": "",
|
||||
"rinsing_volume": 0.0,
|
||||
"rinsing_repeats": 0,
|
||||
"solid": False
|
||||
# === 第一步：样品转移到柱子（如果柱子是容器） ===
|
||||
if column in G.nodes() and G.nodes[column].get('type') == 'container':
|
||||
print(f"RUN_COLUMN: 样品转移 - {source_volume} mL 从 {from_vessel} 到 {column}")
|
||||
|
||||
try:
|
||||
sample_transfer_actions = generate_pump_protocol(
|
||||
G=G,
|
||||
from_vessel=from_vessel,
|
||||
to_vessel=column,
|
||||
volume=source_volume if source_volume > 0 else 100.0,
|
||||
flowrate=2.0
|
||||
)
|
||||
action_sequence.extend(sample_transfer_actions)
|
||||
except Exception as e:
|
||||
print(f"RUN_COLUMN: 样品转移失败: {str(e)}")
|
||||
|
||||
# === 第二步：使用柱层析设备执行分离 ===
|
||||
if column_device_id:
|
||||
print(f"RUN_COLUMN: 使用柱层析设备执行分离")
|
||||
|
||||
column_separation_action = {
|
||||
"device_id": column_device_id,
|
||||
"action_name": "run_column",
|
||||
"action_kwargs": {
|
||||
"from_vessel": from_vessel,
|
||||
"to_vessel": to_vessel,
|
||||
"column": column
|
||||
}
|
||||
}
|
||||
})
|
||||
action_sequence.append(column_separation_action)
|
||||
|
||||
# 步骤2：运行柱层析分离
|
||||
action_sequence.append({
|
||||
"device_id": column_id,
|
||||
"action_name": "run_column",
|
||||
"action_kwargs": {
|
||||
"from_vessel": from_vessel,
|
||||
"to_vessel": to_vessel,
|
||||
"column": column
|
||||
}
|
||||
})
|
||||
# 等待柱层析设备完成分离
|
||||
action_sequence.append({
|
||||
"action_name": "wait",
|
||||
"action_kwargs": {"time": 60}
|
||||
})
|
||||
|
||||
# 步骤3：将分离后的产物从柱子转移到目标容器
|
||||
action_sequence.append({
|
||||
"device_id": pump_id,
|
||||
"action_name": "transfer",
|
||||
"action_kwargs": {
|
||||
"from_vessel": column_id, # 从柱子设备转移
|
||||
"to_vessel": to_vessel,
|
||||
"volume": 0.0, # 转移所有液体，体积由系统确定
|
||||
"amount": f"收集分离产物 - 来自 {column}",
|
||||
"time": 0.0,
|
||||
"viscous": False,
|
||||
"rinsing_solvent": "",
|
||||
"rinsing_volume": 0.0,
|
||||
"rinsing_repeats": 0,
|
||||
"solid": False
|
||||
}
|
||||
})
|
||||
# === 第三步：从柱子转移到目标容器（如果需要） ===
|
||||
if column in G.nodes() and column != to_vessel:
|
||||
print(f"RUN_COLUMN: 产物转移 - 从 {column} 到 {to_vessel}")
|
||||
|
||||
try:
|
||||
product_transfer_actions = generate_pump_protocol(
|
||||
G=G,
|
||||
from_vessel=column,
|
||||
to_vessel=to_vessel,
|
||||
volume=source_volume * 0.8 if source_volume > 0 else 80.0, # 假设有一些损失
|
||||
flowrate=1.5
|
||||
)
|
||||
action_sequence.extend(product_transfer_actions)
|
||||
except Exception as e:
|
||||
print(f"RUN_COLUMN: 产物转移失败: {str(e)}")
|
||||
|
||||
print(f"RUN_COLUMN: 生成了 {len(action_sequence)} 个动作")
|
||||
return action_sequence
|
||||
|
||||
|
||||
# 便捷函数：常用柱层析方案
|
||||
def generate_flash_column_protocol(
|
||||
G: nx.DiGraph,
|
||||
from_vessel: str,
|
||||
to_vessel: str,
|
||||
column_material: str = "silica_gel",
|
||||
mobile_phase: str = "ethyl_acetate",
|
||||
mobile_phase_volume: float = 100.0
|
||||
) -> List[Dict[str, Any]]:
|
||||
"""快速柱层析：高流速分离"""
|
||||
return generate_run_column_protocol(
|
||||
G, from_vessel, to_vessel, column_material,
|
||||
mobile_phase, mobile_phase_volume, 1, "", 0.0, 3.0
|
||||
)
|
||||
|
||||
|
||||
def generate_preparative_column_protocol(
|
||||
G: nx.DiGraph,
|
||||
from_vessel: str,
|
||||
to_vessel: str,
|
||||
column_material: str = "silica_gel",
|
||||
equilibration_solvent: str = "hexane",
|
||||
eluting_solvent: str = "ethyl_acetate",
|
||||
eluting_volume: float = 50.0,
|
||||
eluting_repeats: int = 3
|
||||
) -> List[Dict[str, Any]]:
|
||||
"""制备柱层析：带平衡和多次洗脱"""
|
||||
return generate_run_column_protocol(
|
||||
G, from_vessel, to_vessel, column_material,
|
||||
eluting_solvent, eluting_volume, eluting_repeats,
|
||||
equilibration_solvent, 30.0, 1.5
|
||||
)
|
||||
|
||||
|
||||
def generate_gradient_column_protocol(
|
||||
G: nx.DiGraph,
|
||||
from_vessel: str,
|
||||
to_vessel: str,
|
||||
column_material: str = "silica_gel",
|
||||
gradient_solvents: List[str] = None,
|
||||
gradient_volumes: List[float] = None
|
||||
) -> List[Dict[str, Any]]:
|
||||
"""梯度洗脱柱层析：多种溶剂系统"""
|
||||
if gradient_solvents is None:
|
||||
gradient_solvents = ["hexane", "ethyl_acetate", "methanol"]
|
||||
if gradient_volumes is None:
|
||||
gradient_volumes = [50.0, 50.0, 30.0]
|
||||
|
||||
action_sequence = []
|
||||
|
||||
# 每种溶剂单独执行一次柱层析
|
||||
for i, (solvent, volume) in enumerate(zip(gradient_solvents, gradient_volumes)):
|
||||
print(f"RUN_COLUMN: 梯度洗脱第 {i+1}/{len(gradient_solvents)} 步: {volume} mL {solvent}")
|
||||
|
||||
# 第一步使用源容器，后续步骤使用柱子作为源
|
||||
step_from_vessel = from_vessel if i == 0 else column_material
|
||||
# 最后一步使用目标容器，其他步骤使用柱子作为目标
|
||||
step_to_vessel = to_vessel if i == len(gradient_solvents) - 1 else column_material
|
||||
|
||||
step_actions = generate_run_column_protocol(
|
||||
G, step_from_vessel, step_to_vessel, column_material,
|
||||
solvent, volume, 1, "", 0.0, 1.0
|
||||
)
|
||||
action_sequence.extend(step_actions)
|
||||
|
||||
# 在梯度步骤之间加入等待时间
|
||||
if i < len(gradient_solvents) - 1:
|
||||
action_sequence.append({
|
||||
"action_name": "wait",
|
||||
"action_kwargs": {"time": 20}
|
||||
})
|
||||
|
||||
return action_sequence
|
||||
|
||||
|
||||
def generate_reverse_phase_column_protocol(
|
||||
G: nx.DiGraph,
|
||||
from_vessel: str,
|
||||
to_vessel: str,
|
||||
column_material: str = "C18",
|
||||
aqueous_phase: str = "water",
|
||||
organic_phase: str = "methanol",
|
||||
gradient_ratio: float = 0.5
|
||||
) -> List[Dict[str, Any]]:
|
||||
"""反相柱层析：C18柱，水-有机相梯度"""
|
||||
# 先用水相平衡
|
||||
equilibration_volume = 20.0
|
||||
# 然后用有机相洗脱
|
||||
eluting_volume = 30.0 * gradient_ratio
|
||||
|
||||
return generate_run_column_protocol(
|
||||
G, from_vessel, to_vessel, column_material,
|
||||
organic_phase, eluting_volume, 2,
|
||||
aqueous_phase, equilibration_volume, 0.8
|
||||
)
|
||||
|
||||
|
||||
def generate_ion_exchange_column_protocol(
|
||||
G: nx.DiGraph,
|
||||
from_vessel: str,
|
||||
to_vessel: str,
|
||||
column_material: str = "ion_exchange",
|
||||
buffer_solution: str = "buffer",
|
||||
salt_solution: str = "NaCl_solution",
|
||||
salt_volume: float = 40.0
|
||||
) -> List[Dict[str, Any]]:
|
||||
"""离子交换柱层析：缓冲液平衡，盐溶液洗脱"""
|
||||
return generate_run_column_protocol(
|
||||
G, from_vessel, to_vessel, column_material,
|
||||
salt_solution, salt_volume, 1,
|
||||
buffer_solution, 25.0, 0.5
|
||||
)
|
||||
|
||||
|
||||
# 测试函数
|
||||
def test_run_column_protocol():
|
||||
"""测试柱层析协议的示例"""
|
||||
print("=== RUN COLUMN PROTOCOL 测试 ===")
|
||||
print("测试完成")
|
||||
|
||||
|
||||
if __name__ == "__main__":
|
||||
test_run_column_protocol()
|
||||
@@ -26,7 +26,7 @@ vacuum_pump.mock:
|
||||
- handler_key: out
|
||||
label: out
|
||||
data_type: fluid
|
||||
io_type: target
|
||||
io_type: source
|
||||
data_source: handle
|
||||
data_key: fluid_in
|
||||
init_param_schema:
|
||||
|
||||
@@ -2,17 +2,17 @@
|
||||
|
||||
# 1. virtual_pump - 虚拟泵
|
||||
# 描述：具有多通道阀门特性的泵，根据valve_position可连接多个容器
|
||||
# 连接特性：1个输入口 + 1个输出口（当前配置，实际应该有多个输出口）
|
||||
# 连接特性：1个输入口 + 1个输出口
|
||||
# 数据类型：fluid（流体连接）
|
||||
|
||||
# 2. virtual_stirrer - 虚拟搅拌器
|
||||
# 描述：机械连接设备，提供搅拌功能
|
||||
# 连接特性：1个双向连接点（undirected）
|
||||
# 连接特性：1个连接点
|
||||
# 数据类型：mechanical（机械连接）
|
||||
|
||||
# 3a. virtual_valve - 虚拟八通阀门
|
||||
# 描述：8通阀门（实际配置为7通），可切换流向
|
||||
# 连接特性：1个口连接注射泵 + 7个输出口
|
||||
# 描述：8通阀门，可切换流向
|
||||
# 连接特性：1个口连接注射泵 + 多个输出口
|
||||
# 数据类型：fluid（流体连接）
|
||||
|
||||
# 3b. virtual_solenoid_valve (电磁阀门)
|
||||
@@ -32,12 +32,12 @@
|
||||
|
||||
# 6. virtual_heatchill - 虚拟加热/冷却器
|
||||
# 描述：温控设备，容器直接放置在设备上进行温度控制
|
||||
# 连接特性：1个双向连接点（undirected）
|
||||
# 连接特性：1个连接点
|
||||
# 数据类型：mechanical（机械/物理接触连接）
|
||||
|
||||
# 7. virtual_transfer_pump - 虚拟转移泵（注射器式）
|
||||
# 描述：注射器式转移泵，通过同一个口吸入和排出液体
|
||||
# 连接特性：1个双向连接点（undirected）
|
||||
# 连接特性：1个连接点
|
||||
# 数据类型：fluid（流体连接）
|
||||
|
||||
# 8. virtual_column - 虚拟色谱柱
|
||||
@@ -57,26 +57,23 @@
|
||||
|
||||
# 11. virtual_vacuum_pump - 虚拟真空泵
|
||||
# 描述：真空泵设备，用于抽真空操作和真空/充气循环
|
||||
# 连接特性：1个输入口（连接需要抽真空的系统）
|
||||
# 连接特性：1个输出口（连接需要抽真空的系统）
|
||||
# 数据类型：fluid（流体连接）
|
||||
# 主要功能：开启/关闭、状态控制（ON/OFF）
|
||||
|
||||
# 12. virtual_gas_source - 虚拟气源
|
||||
# 描述：气源设备，用于充气操作和真空/充气循环
|
||||
# 连接特性：1个输出口（向系统提供加压气体）
|
||||
# 数据类型：fluid（流体连接）
|
||||
# 主要功能：开启/关闭、状态控制（ON/OFF）
|
||||
|
||||
virtual_pump:
|
||||
description: Virtual Pump for PumpTransferProtocol Testing
|
||||
#icon: 这个注册的设备应该是写错了，后续删掉
|
||||
class:
|
||||
module: unilabos.devices.virtual.virtual_pump:VirtualPump
|
||||
type: python
|
||||
status_types:
|
||||
status: String
|
||||
position: Float64
|
||||
valve_position: Int32 # 修复：使用 Int32 而不是 String
|
||||
valve_position: Int32
|
||||
max_volume: Float64
|
||||
current_volume: Float64
|
||||
action_value_mappings:
|
||||
@@ -105,7 +102,6 @@ virtual_pump:
|
||||
status: status
|
||||
result:
|
||||
success: success
|
||||
# 虚拟泵节点配置 - 具有多通道阀门特性，根据valve_position可连接多个容器
|
||||
handles:
|
||||
- handler_key: pumpio
|
||||
label: pumpio
|
||||
@@ -113,7 +109,7 @@ virtual_pump:
|
||||
io_type: source
|
||||
data_source: handle
|
||||
data_key: fluid_in
|
||||
description: "泵的进液口，连接源容器"
|
||||
description: "泵的输出口"
|
||||
schema:
|
||||
type: object
|
||||
properties:
|
||||
@@ -133,11 +129,11 @@ virtual_stirrer:
|
||||
type: python
|
||||
status_types:
|
||||
status: String
|
||||
operation_mode: String # 操作模式
|
||||
current_vessel: String # 当前容器
|
||||
current_speed: Float64 # 当前搅拌速度
|
||||
is_stirring: Bool # 是否搅拌
|
||||
remaining_time: Float64 # 剩余时间
|
||||
operation_mode: String
|
||||
current_vessel: String
|
||||
current_speed: Float64
|
||||
is_stirring: Bool
|
||||
remaining_time: Float64
|
||||
action_value_mappings:
|
||||
stir:
|
||||
type: Stir
|
||||
@@ -167,16 +163,15 @@ virtual_stirrer:
|
||||
status: status
|
||||
result:
|
||||
success: success
|
||||
# 虚拟搅拌器节点配置 - 机械连接设备，双向连接点用于搅拌容器
|
||||
handles:
|
||||
- handler_key: stirrer
|
||||
label: stirrer
|
||||
data_type: mechanical
|
||||
side: NORTH
|
||||
io_type: undirected
|
||||
io_type: source
|
||||
data_source: handle
|
||||
data_key: vessel
|
||||
description: "搅拌器的机械连接口，容器通过机械连接进行搅拌"
|
||||
description: "搅拌器的机械连接口"
|
||||
schema:
|
||||
type: object
|
||||
properties:
|
||||
@@ -218,7 +213,6 @@ virtual_multiway_valve:
|
||||
feedback: {}
|
||||
result:
|
||||
success: success
|
||||
# 八通阀门节点配置 - 1个输入口，8个输出口，可切换流向
|
||||
handles:
|
||||
- handler_key: transferpump
|
||||
label: transferpump
|
||||
@@ -227,7 +221,7 @@ virtual_multiway_valve:
|
||||
io_type: target
|
||||
data_source: handle
|
||||
data_key: fluid_in
|
||||
description: "八通阀门进液口，接收来源流体"
|
||||
description: "八通阀门进液口"
|
||||
- handler_key: 1
|
||||
label: 1
|
||||
data_type: fluid
|
||||
@@ -235,7 +229,7 @@ virtual_multiway_valve:
|
||||
io_type: source
|
||||
data_source: executor
|
||||
data_key: fluid_port_1
|
||||
description: "八通阀门端口1，position=1时流体从此口流出"
|
||||
description: "八通阀门端口1"
|
||||
- handler_key: 2
|
||||
label: 2
|
||||
data_type: fluid
|
||||
@@ -243,7 +237,7 @@ virtual_multiway_valve:
|
||||
io_type: source
|
||||
data_source: executor
|
||||
data_key: fluid_port_2
|
||||
description: "八通阀门端口2，position=2时流体从此口流出"
|
||||
description: "八通阀门端口2"
|
||||
- handler_key: 3
|
||||
label: 3
|
||||
data_type: fluid
|
||||
@@ -251,7 +245,7 @@ virtual_multiway_valve:
|
||||
io_type: source
|
||||
data_source: executor
|
||||
data_key: fluid_port_3
|
||||
description: "八通阀门端口3，position=3时流体从此口流出"
|
||||
description: "八通阀门端口3"
|
||||
- handler_key: 4
|
||||
label: 4
|
||||
data_type: fluid
|
||||
@@ -259,7 +253,7 @@ virtual_multiway_valve:
|
||||
io_type: source
|
||||
data_source: executor
|
||||
data_key: fluid_port_4
|
||||
description: "八通阀门端口4，position=4时流体从此口流出"
|
||||
description: "八通阀门端口4"
|
||||
- handler_key: 5
|
||||
label: 5
|
||||
data_type: fluid
|
||||
@@ -267,15 +261,7 @@ virtual_multiway_valve:
|
||||
io_type: source
|
||||
data_source: executor
|
||||
data_key: fluid_port_5
|
||||
description: "八通阀门端口5，position=5时流体从此口流出"
|
||||
- handler_key: 7
|
||||
label: 7
|
||||
data_type: fluid
|
||||
side: WEST
|
||||
io_type: source
|
||||
data_source: executor
|
||||
data_key: fluid_port_7
|
||||
description: "八通阀门端口7，position=7时流体从此口流出"
|
||||
description: "八通阀门端口5"
|
||||
- handler_key: 6
|
||||
label: 6
|
||||
data_type: fluid
|
||||
@@ -283,7 +269,15 @@ virtual_multiway_valve:
|
||||
io_type: source
|
||||
data_source: executor
|
||||
data_key: fluid_port_6
|
||||
description: "八通阀门端口6，position=6时流体从此口流出"
|
||||
description: "八通阀门端口6"
|
||||
- handler_key: 7
|
||||
label: 7
|
||||
data_type: fluid
|
||||
side: WEST
|
||||
io_type: source
|
||||
data_source: executor
|
||||
data_key: fluid_port_7
|
||||
description: "八通阀门端口7"
|
||||
- handler_key: 8
|
||||
label: 8
|
||||
data_type: fluid
|
||||
@@ -291,7 +285,7 @@ virtual_multiway_valve:
|
||||
io_type: source
|
||||
data_source: executor
|
||||
data_key: fluid_port_8
|
||||
description: "八通阀门端口8，position=8时流体从此口流出"
|
||||
description: "八通阀门端口8"
|
||||
schema:
|
||||
type: object
|
||||
properties:
|
||||
@@ -302,21 +296,21 @@ virtual_multiway_valve:
|
||||
type: integer
|
||||
default: 8
|
||||
additionalProperties: false
|
||||
|
||||
virtual_solenoid_valve:
|
||||
description: Virtual Solenoid Valve for simple on/off flow control
|
||||
#icon: SolenoidValve.webp暂时还没有
|
||||
class:
|
||||
module: unilabos.devices.virtual.virtual_solenoid_valve:VirtualSolenoidValve
|
||||
type: python
|
||||
status_types:
|
||||
status: String
|
||||
valve_state: String # "open" or "closed"
|
||||
valve_state: String
|
||||
is_open: Bool
|
||||
action_value_mappings:
|
||||
set_valve_position:
|
||||
type: SendCmd
|
||||
goal:
|
||||
command: command # 确保参数名匹配
|
||||
command: command
|
||||
feedback: {}
|
||||
result:
|
||||
success: success
|
||||
@@ -341,18 +335,17 @@ virtual_solenoid_valve:
|
||||
feedback: {}
|
||||
result:
|
||||
success: success
|
||||
# 电磁阀门节点配置 - 双向流通的开关型阀门，流动方向由泵决定
|
||||
handles:
|
||||
- handler_key: inlet
|
||||
label: inlet
|
||||
- handler_key: in
|
||||
label: in
|
||||
data_type: fluid
|
||||
side: NORTH
|
||||
io_type: target
|
||||
data_source: handle
|
||||
data_key: fluid_port_in
|
||||
description: "电磁阀的进液口"
|
||||
- handler_key: outlet
|
||||
label: outlet
|
||||
- handler_key: out
|
||||
label: out
|
||||
data_type: fluid
|
||||
side: SOUTH
|
||||
io_type: source
|
||||
@@ -372,9 +365,9 @@ virtual_solenoid_valve:
|
||||
type: number
|
||||
default: 0.1
|
||||
additionalProperties: false
|
||||
|
||||
virtual_centrifuge:
|
||||
description: Virtual Centrifuge for CentrifugeProtocol Testing
|
||||
#icon: Centrifuge.webp暂时还没有
|
||||
class:
|
||||
module: unilabos.devices.virtual.virtual_centrifuge:VirtualCentrifuge
|
||||
type: python
|
||||
@@ -389,8 +382,8 @@ virtual_centrifuge:
|
||||
min_temp: Float64
|
||||
centrifuge_state: String
|
||||
time_remaining: Float64
|
||||
progress: Float64 # 添加这个状态
|
||||
message: String # 添加这个状态
|
||||
progress: Float64
|
||||
message: String
|
||||
action_value_mappings:
|
||||
centrifuge:
|
||||
type: Centrifuge
|
||||
@@ -407,7 +400,6 @@ virtual_centrifuge:
|
||||
result:
|
||||
success: success
|
||||
message: message
|
||||
# 虚拟离心机节点配置 - 单个样品处理设备，输入输出都是同一个样品容器
|
||||
handles:
|
||||
- handler_key: centrifuge
|
||||
label: centrifuge
|
||||
@@ -436,7 +428,6 @@ virtual_centrifuge:
|
||||
|
||||
virtual_filter:
|
||||
description: Virtual Filter for FilterProtocol Testing
|
||||
#icon: Filter.webp暂时还没有
|
||||
class:
|
||||
module: unilabos.devices.virtual.virtual_filter:VirtualFilter
|
||||
type: python
|
||||
@@ -470,16 +461,31 @@ virtual_filter:
|
||||
success: success
|
||||
message: message
|
||||
return_info: message
|
||||
# 过滤器节点配置 - 固液分离设备
|
||||
handles:
|
||||
- handler_key: filter
|
||||
label: filter
|
||||
- handler_key: filter_in
|
||||
label: filter_in
|
||||
data_type: transport
|
||||
side: NORTH
|
||||
io_type: target
|
||||
data_source: handle
|
||||
data_key: vessel_in
|
||||
description: "需要过滤的样品容器"
|
||||
- handler_key: filtrate_out
|
||||
label: filtrate_out
|
||||
data_type: transport
|
||||
side: SOUTH
|
||||
io_type: source
|
||||
data_source: handle
|
||||
data_key: vessel
|
||||
description: "需要过滤的样品容器"
|
||||
data_key: filtrate_out
|
||||
description: "滤液出口"
|
||||
- handler_key: retentate_out
|
||||
label: retentate_out
|
||||
data_type: transport
|
||||
side: EAST
|
||||
io_type: source
|
||||
data_source: handle
|
||||
data_key: retentate_out
|
||||
description: "滤渣/固体出口"
|
||||
schema:
|
||||
type: object
|
||||
properties:
|
||||
@@ -505,10 +511,9 @@ virtual_heatchill:
|
||||
type: python
|
||||
status_types:
|
||||
status: String
|
||||
operation_mode: String # 保留：操作模式
|
||||
is_stirring: Bool # 保留：是否搅拌
|
||||
stir_speed: Float64 # 保留：搅拌速度
|
||||
# remaining_time: Float64 # 保留：剩余时间
|
||||
operation_mode: String
|
||||
is_stirring: Bool
|
||||
stir_speed: Float64
|
||||
action_value_mappings:
|
||||
heat_chill:
|
||||
type: HeatChill
|
||||
@@ -541,7 +546,6 @@ virtual_heatchill:
|
||||
status: status
|
||||
result:
|
||||
success: success
|
||||
# 虚拟加热/冷却器节点配置
|
||||
handles:
|
||||
- handler_key: heatchill
|
||||
label: heatchill
|
||||
@@ -550,7 +554,7 @@ virtual_heatchill:
|
||||
io_type: source
|
||||
data_source: handle
|
||||
data_key: vessel
|
||||
description: "加热/冷却器的物理连接口，容器直接放置在设备上进行温度控制"
|
||||
description: "加热/冷却器的物理连接口"
|
||||
schema:
|
||||
type: object
|
||||
properties:
|
||||
@@ -602,10 +606,10 @@ virtual_transfer_pump:
|
||||
success: success
|
||||
message: message
|
||||
set_position:
|
||||
type: SetPumpPosition # ← 使用新的动作类型
|
||||
type: SetPumpPosition
|
||||
goal:
|
||||
position: position # ← 直接映射参数名
|
||||
max_velocity: max_velocity # ← 直接映射参数名
|
||||
position: position
|
||||
max_velocity: max_velocity
|
||||
feedback:
|
||||
status: status
|
||||
current_position: current_position
|
||||
@@ -613,7 +617,6 @@ virtual_transfer_pump:
|
||||
result:
|
||||
success: success
|
||||
message: message
|
||||
# 注射器式转移泵节点配置 - 只有一个双向连接口，可吸入和排出液体
|
||||
handles:
|
||||
- handler_key: transferpump
|
||||
label: transferpump
|
||||
@@ -622,7 +625,7 @@ virtual_transfer_pump:
|
||||
io_type: source
|
||||
data_source: handle
|
||||
data_key: fluid_port
|
||||
description: "注射器式转移泵的唯一连接口，通过阀门切换实现吸入和排出"
|
||||
description: "注射器式转移泵的连接口"
|
||||
schema:
|
||||
type: object
|
||||
properties:
|
||||
@@ -641,8 +644,7 @@ virtual_transfer_pump:
|
||||
additionalProperties: false
|
||||
|
||||
virtual_column:
|
||||
description: Virtual Column for RunColumn Protocol Testing
|
||||
#icon: Column.webp暂时还没有
|
||||
description: Virtual Column Chromatography Device for RunColumn Protocol Testing
|
||||
class:
|
||||
module: unilabos.devices.virtual.virtual_column:VirtualColumn
|
||||
type: python
|
||||
@@ -664,29 +666,30 @@ virtual_column:
|
||||
to_vessel: to_vessel
|
||||
column: column
|
||||
feedback:
|
||||
status: current_status
|
||||
progress: progress
|
||||
processed_volume: processed_volume
|
||||
current_status: current_status
|
||||
result:
|
||||
success: success
|
||||
message: message
|
||||
# 虚拟色谱柱节点配置 - 分离纯化设备，1个样品输入口，1个纯化产物输出口
|
||||
message: current_status
|
||||
return_info: current_status
|
||||
handles:
|
||||
- handler_key: columnin
|
||||
label: columnin
|
||||
data_type: fluid
|
||||
side: NORTH
|
||||
data_type: transport
|
||||
side: WEST
|
||||
io_type: target
|
||||
data_source: handle
|
||||
data_key: from_vessel
|
||||
description: "需要纯化的样品输入口"
|
||||
description: "样品输入口"
|
||||
- handler_key: columnout
|
||||
label: columnout
|
||||
data_type: fluid
|
||||
side: SOUTH
|
||||
data_type: transport
|
||||
side: EAST
|
||||
io_type: source
|
||||
data_source: executor
|
||||
data_source: handle
|
||||
data_key: to_vessel
|
||||
description: "经过色谱柱纯化的产物输出口"
|
||||
description: "产物输出口"
|
||||
schema:
|
||||
type: object
|
||||
properties:
|
||||
@@ -739,16 +742,31 @@ virtual_rotavap:
|
||||
result:
|
||||
success: success
|
||||
message: message
|
||||
# 虚拟旋转蒸发仪节点配置 - 1个样品口
|
||||
handles:
|
||||
- handler_key: rotavap-sample
|
||||
label: rotavap-sample
|
||||
- handler_key: sample_in
|
||||
label: sample_in
|
||||
data_type: fluid
|
||||
side: NORTH
|
||||
io_type: target
|
||||
data_source: handle
|
||||
data_key: vessel
|
||||
description: "样品连接口，放入需要蒸发的样品"
|
||||
data_key: vessel_in
|
||||
description: "样品连接口"
|
||||
- handler_key: product_out
|
||||
label: product_out
|
||||
data_type: fluid
|
||||
side: SOUTH
|
||||
io_type: source
|
||||
data_source: handle
|
||||
data_key: product_out
|
||||
description: "浓缩产物出口"
|
||||
- handler_key: solvent_out
|
||||
label: solvent_out
|
||||
data_type: fluid
|
||||
side: EAST
|
||||
io_type: source
|
||||
data_source: handle
|
||||
data_key: solvent_out
|
||||
description: "冷凝溶剂出口"
|
||||
schema:
|
||||
type: object
|
||||
properties:
|
||||
@@ -802,24 +820,39 @@ virtual_separator:
|
||||
result:
|
||||
success: success
|
||||
message: message
|
||||
# 虚拟分液器节点配置 - 分离设备，1个输入口(混合液)，2个输出口(上相和下相)
|
||||
handles:
|
||||
- handler_key: separatorin
|
||||
label: separatorin
|
||||
- handler_key: separator_in
|
||||
label: separator_in
|
||||
data_type: fluid
|
||||
side: NORTH
|
||||
io_type: target
|
||||
data_source: handle
|
||||
data_key: from_vessel
|
||||
description: "需要分离的混合液体输入口"
|
||||
- handler_key: separatorout
|
||||
label: separatorout
|
||||
- handler_key: bottom_phase_out
|
||||
label: bottom_phase_out
|
||||
data_type: fluid
|
||||
side: SOUTH
|
||||
io_type: source
|
||||
data_source: executor
|
||||
data_key: bottom_outlet
|
||||
description: "下相（重相）液体输出口"
|
||||
- handler_key: top_phase_out
|
||||
label: top_phase_out
|
||||
data_type: fluid
|
||||
side: EAST
|
||||
io_type: source
|
||||
data_source: executor
|
||||
data_key: top_outlet
|
||||
description: "上相（轻相）液体输出口"
|
||||
- handler_key: bind
|
||||
label: bind
|
||||
io_type: target
|
||||
data_type: mechanical
|
||||
side: WEST
|
||||
data_source: handle
|
||||
data_key: mechanical_port
|
||||
description: "用于连接搅拌器等机械设备的接口"
|
||||
schema:
|
||||
type: object
|
||||
properties:
|
||||
@@ -859,7 +892,6 @@ virtual_vacuum_pump:
|
||||
string: string
|
||||
feedback: {}
|
||||
result: {}
|
||||
# 虚拟真空泵节点配置 - 真空设备，1个输入口连接需要抽真空的系统
|
||||
handles:
|
||||
- handler_key: vacuumpump
|
||||
label: vacuumpump
|
||||
@@ -868,7 +900,7 @@ virtual_vacuum_pump:
|
||||
io_type: source
|
||||
data_source: handle
|
||||
data_key: fluid_in
|
||||
description: "真空泵进气口，连接需要抽真空的容器或管路"
|
||||
description: "真空泵进气口"
|
||||
schema:
|
||||
type: object
|
||||
properties:
|
||||
@@ -880,7 +912,6 @@ virtual_vacuum_pump:
|
||||
|
||||
virtual_gas_source:
|
||||
description: Virtual gas source
|
||||
#icon: GasSource.webp暂时还没有
|
||||
class:
|
||||
module: unilabos.devices.virtual.virtual_gas_source:VirtualGasSource
|
||||
type: python
|
||||
@@ -903,7 +934,6 @@ virtual_gas_source:
|
||||
string: string
|
||||
feedback: {}
|
||||
result: {}
|
||||
# 虚拟气源节点配置 - 气体供应设备，1个输出口提供加压气体
|
||||
handles:
|
||||
- handler_key: gassource
|
||||
label: gassource
|
||||
@@ -912,7 +942,7 @@ virtual_gas_source:
|
||||
io_type: source
|
||||
data_source: executor
|
||||
data_key: fluid_out
|
||||
description: "气源出气口，向容器或管路提供加压气体"
|
||||
description: "气源出气口"
|
||||
schema:
|
||||
type: object
|
||||
properties:
|
||||
|
||||
@@ -3,5 +3,623 @@ workstation:
|
||||
class:
|
||||
module: unilabos.ros.nodes.presets.protocol_node:ROS2ProtocolNode
|
||||
type: ros2
|
||||
schema:
|
||||
properties: {}
|
||||
action_value_mappings:
|
||||
AddProtocol:
|
||||
type: Add
|
||||
goal:
|
||||
vessel: vessel
|
||||
reagent: reagent
|
||||
volume: volume
|
||||
mass: mass
|
||||
amount: amount
|
||||
time: time
|
||||
stir: stir
|
||||
stir_speed: stir_speed
|
||||
viscous: viscous
|
||||
purpose: purpose
|
||||
feedback: {}
|
||||
result: {}
|
||||
handles:
|
||||
input:
|
||||
- handler_key: vessel
|
||||
label: Vessel
|
||||
data_type: resource
|
||||
data_source: handle
|
||||
data_key: vessel
|
||||
- handler_key: reagent
|
||||
label: Reagent
|
||||
data_type: resource
|
||||
data_source: handle
|
||||
data_key: reagent
|
||||
output:
|
||||
- handler_key: vessel_out
|
||||
label: Vessel
|
||||
data_type: resource
|
||||
data_source: executor
|
||||
data_key: vessel
|
||||
|
||||
AGVTransferProtocol:
|
||||
type: AGVTransfer
|
||||
goal:
|
||||
from_repo: from_repo
|
||||
from_repo_position: from_repo_position
|
||||
to_repo: to_repo
|
||||
to_repo_position: to_repo_position
|
||||
feedback: {}
|
||||
result: {}
|
||||
|
||||
CentrifugeProtocol:
|
||||
type: Centrifuge
|
||||
goal:
|
||||
vessel: vessel
|
||||
speed: speed
|
||||
time: time
|
||||
temp: temp
|
||||
feedback: {}
|
||||
result: {}
|
||||
handles:
|
||||
input:
|
||||
- handler_key: vessel
|
||||
label: Vessel
|
||||
data_type: resource
|
||||
data_source: handle
|
||||
data_key: vessel
|
||||
output:
|
||||
- handler_key: vessel_out
|
||||
label: Vessel
|
||||
data_type: resource
|
||||
data_source: executor
|
||||
data_key: vessel
|
||||
|
||||
CleanProtocol:
|
||||
type: Clean
|
||||
goal:
|
||||
vessel: vessel
|
||||
solvent: solvent
|
||||
volume: volume
|
||||
temp: temp
|
||||
repeats: repeats
|
||||
feedback: {}
|
||||
result: {}
|
||||
handles:
|
||||
input:
|
||||
- handler_key: vessel
|
||||
label: Vessel
|
||||
data_type: resource
|
||||
data_source: handle
|
||||
data_key: vessel
|
||||
- handler_key: solvent
|
||||
label: Solvent
|
||||
data_type: resource
|
||||
data_source: handle
|
||||
data_key: solvent
|
||||
output:
|
||||
- handler_key: vessel_out
|
||||
label: Vessel
|
||||
data_type: resource
|
||||
data_source: executor
|
||||
data_key: vessel
|
||||
|
||||
CleanVesselProtocol:
|
||||
type: CleanVessel
|
||||
goal:
|
||||
vessel: vessel
|
||||
solvent: solvent
|
||||
volume: volume
|
||||
temp: temp
|
||||
repeats: repeats
|
||||
feedback: {}
|
||||
result: {}
|
||||
handles:
|
||||
input:
|
||||
- handler_key: vessel
|
||||
label: Vessel
|
||||
data_type: resource
|
||||
data_source: handle
|
||||
data_key: vessel
|
||||
- handler_key: solvent
|
||||
label: Solvent
|
||||
data_type: resource
|
||||
data_source: handle
|
||||
data_key: solvent
|
||||
output:
|
||||
- handler_key: vessel_out
|
||||
label: Vessel
|
||||
data_type: resource
|
||||
data_source: executor
|
||||
data_key: vessel
|
||||
|
||||
DissolveProtocol:
|
||||
type: Dissolve
|
||||
goal:
|
||||
vessel: vessel
|
||||
solvent: solvent
|
||||
volume: volume
|
||||
amount: amount
|
||||
temp: temp
|
||||
time: time
|
||||
stir_speed: stir_speed
|
||||
feedback: {}
|
||||
result: {}
|
||||
handles:
|
||||
input:
|
||||
- handler_key: vessel
|
||||
label: Vessel
|
||||
data_type: resource
|
||||
data_source: handle
|
||||
data_key: vessel
|
||||
- handler_key: solvent
|
||||
label: Solvent
|
||||
data_type: resource
|
||||
data_source: handle
|
||||
data_key: solvent
|
||||
output:
|
||||
- handler_key: vessel_out
|
||||
label: Vessel
|
||||
data_type: resource
|
||||
data_source: executor
|
||||
data_key: vessel
|
||||
|
||||
EvacuateAndRefillProtocol:
|
||||
type: EvacuateAndRefill
|
||||
goal:
|
||||
vessel: vessel
|
||||
gas: gas
|
||||
repeats: repeats
|
||||
feedback: {}
|
||||
result: {}
|
||||
handles:
|
||||
input:
|
||||
- handler_key: vessel
|
||||
label: Vessel
|
||||
data_type: resource
|
||||
data_source: handle
|
||||
data_key: vessel
|
||||
output:
|
||||
- handler_key: vessel_out
|
||||
label: Vessel
|
||||
data_type: resource
|
||||
data_source: executor
|
||||
data_key: vessel
|
||||
|
||||
EvaporateProtocol:
|
||||
type: Evaporate
|
||||
goal:
|
||||
vessel: vessel
|
||||
pressure: pressure
|
||||
temp: temp
|
||||
time: time
|
||||
stir_speed: stir_speed
|
||||
feedback: {}
|
||||
result: {}
|
||||
handles:
|
||||
input:
|
||||
- handler_key: vessel
|
||||
label: Vessel
|
||||
data_type: resource
|
||||
data_source: handle
|
||||
data_key: vessel
|
||||
output:
|
||||
- handler_key: vessel_out
|
||||
label: Vessel
|
||||
data_type: resource
|
||||
data_source: executor
|
||||
data_key: vessel
|
||||
|
||||
FilterProtocol:
|
||||
type: Filter
|
||||
goal:
|
||||
vessel: vessel
|
||||
filtrate_vessel: filtrate_vessel
|
||||
stir: stir
|
||||
stir_speed: stir_speed
|
||||
temp: temp
|
||||
continue_heatchill: continue_heatchill
|
||||
volume: volume
|
||||
feedback: {}
|
||||
result: {}
|
||||
handles:
|
||||
input:
|
||||
- handler_key: vessel
|
||||
label: Vessel
|
||||
data_type: resource
|
||||
data_source: handle
|
||||
data_key: vessel
|
||||
- handler_key: filtrate_vessel
|
||||
label: Filtrate Vessel
|
||||
data_type: resource
|
||||
data_source: handle
|
||||
data_key: vessel
|
||||
output:
|
||||
- handler_key: vessel_out
|
||||
label: Vessel
|
||||
data_type: resource
|
||||
data_source: executor
|
||||
data_key: vessel
|
||||
- handler_key: filtrate_out
|
||||
label: Filtrate Vessel
|
||||
data_type: resource
|
||||
data_source: executor
|
||||
data_key: vessel
|
||||
|
||||
FilterThroughProtocol:
|
||||
type: FilterThrough
|
||||
goal:
|
||||
from_vessel: from_vessel
|
||||
to_vessel: to_vessel
|
||||
filter_through: filter_through
|
||||
eluting_solvent: eluting_solvent
|
||||
eluting_volume: eluting_volume
|
||||
eluting_repeats: eluting_repeats
|
||||
residence_time: residence_time
|
||||
feedback: {}
|
||||
result: {}
|
||||
handles:
|
||||
input:
|
||||
- handler_key: from_vessel
|
||||
label: From Vessel
|
||||
data_type: resource
|
||||
data_source: handle
|
||||
data_key: vessel
|
||||
- handler_key: to_vessel
|
||||
label: To Vessel
|
||||
data_type: resource
|
||||
data_source: executor
|
||||
data_key: vessel
|
||||
- handler_key: solvent
|
||||
label: Eluting Solvent
|
||||
data_type: resource
|
||||
data_source: handle
|
||||
data_key: solvent
|
||||
output:
|
||||
- handler_key: from_vessel_out
|
||||
label: From Vessel
|
||||
data_type: resource
|
||||
data_source: handle
|
||||
data_key: vessel
|
||||
- handler_key: to_vessel_out
|
||||
label: To Vessel
|
||||
data_type: resource
|
||||
data_source: executor
|
||||
data_key: vessel
|
||||
|
||||
HeatChillProtocol:
|
||||
type: HeatChill
|
||||
goal:
|
||||
vessel: vessel
|
||||
temp: temp
|
||||
time: time
|
||||
stir: stir
|
||||
stir_speed: stir_speed
|
||||
purpose: purpose
|
||||
feedback: {}
|
||||
result: {}
|
||||
handles:
|
||||
input:
|
||||
- handler_key: vessel
|
||||
label: Vessel
|
||||
data_type: resource
|
||||
data_source: handle
|
||||
data_key: vessel
|
||||
output:
|
||||
- handler_key: vessel_out
|
||||
label: Vessel
|
||||
data_type: resource
|
||||
data_source: executor
|
||||
data_key: vessel
|
||||
|
||||
HeatChillStartProtocol:
|
||||
type: HeatChillStart
|
||||
goal:
|
||||
vessel: vessel
|
||||
temp: temp
|
||||
purpose: purpose
|
||||
feedback: {}
|
||||
result: {}
|
||||
handles:
|
||||
input:
|
||||
- handler_key: vessel
|
||||
label: Vessel
|
||||
data_type: resource
|
||||
data_source: handle
|
||||
data_key: vessel
|
||||
output:
|
||||
- handler_key: vessel_out
|
||||
label: Vessel
|
||||
data_type: resource
|
||||
data_source: executor
|
||||
data_key: vessel
|
||||
|
||||
HeatChillStopProtocol:
|
||||
type: HeatChillStop
|
||||
goal:
|
||||
vessel: vessel
|
||||
feedback: {}
|
||||
result: {}
|
||||
handles:
|
||||
input:
|
||||
- handler_key: vessel
|
||||
label: Vessel
|
||||
data_type: resource
|
||||
data_source: handle
|
||||
data_key: vessel
|
||||
output:
|
||||
- handler_key: vessel_out
|
||||
label: Vessel
|
||||
data_type: resource
|
||||
data_source: executor
|
||||
data_key: vessel
|
||||
|
||||
PumpTransferProtocol:
|
||||
type: PumpTransfer
|
||||
goal:
|
||||
from_vessel: from_vessel
|
||||
to_vessel: to_vessel
|
||||
volume: volume
|
||||
amount: amount
|
||||
time: time
|
||||
viscous: viscous
|
||||
rinsing_solvent: rinsing_solvent
|
||||
rinsing_volume: rinsing_volume
|
||||
rinsing_repeats: rinsing_repeats
|
||||
solid: solid
|
||||
feedback: {}
|
||||
result: {}
|
||||
handles:
|
||||
input:
|
||||
- handler_key: from_vessel
|
||||
label: From Vessel
|
||||
data_type: resource
|
||||
data_source: handle
|
||||
data_key: vessel
|
||||
- handler_key: to_vessel
|
||||
label: To Vessel
|
||||
data_type: resource
|
||||
data_source: executor
|
||||
data_key: vessel
|
||||
- handler_key: solvent
|
||||
label: Rinsing Solvent
|
||||
data_type: resource
|
||||
data_source: handle
|
||||
data_key: solvent
|
||||
output:
|
||||
- handler_key: from_vessel_out
|
||||
label: From Vessel
|
||||
data_type: resource
|
||||
data_source: handle
|
||||
data_key: vessel
|
||||
- handler_key: to_vessel_out
|
||||
label: To Vessel
|
||||
data_type: resource
|
||||
data_source: executor
|
||||
data_key: vessel
|
||||
|
||||
RunColumnProtocol:
|
||||
type: RunColumn
|
||||
goal:
|
||||
from_vessel: from_vessel
|
||||
to_vessel: to_vessel
|
||||
column: column
|
||||
feedback: {}
|
||||
result: {}
|
||||
handles:
|
||||
input:
|
||||
- handler_key: from_vessel
|
||||
label: From Vessel
|
||||
data_type: resource
|
||||
data_source: handle
|
||||
data_key: vessel
|
||||
- handler_key: to_vessel
|
||||
label: To Vessel
|
||||
data_type: resource
|
||||
data_source: executor
|
||||
data_key: vessel
|
||||
output:
|
||||
- handler_key: from_vessel_out
|
||||
label: From Vessel
|
||||
data_type: resource
|
||||
data_source: handle
|
||||
data_key: vessel
|
||||
- handler_key: to_vessel_out
|
||||
label: To Vessel
|
||||
data_type: resource
|
||||
data_source: executor
|
||||
data_key: vessel
|
||||
|
||||
SeparateProtocol:
|
||||
type: Separate
|
||||
goal:
|
||||
purpose: purpose
|
||||
product_phase: product_phase
|
||||
from_vessel: from_vessel
|
||||
separation_vessel: separation_vessel
|
||||
to_vessel: to_vessel
|
||||
waste_phase_to_vessel: waste_phase_to_vessel
|
||||
solvent: solvent
|
||||
solvent_volume: solvent_volume
|
||||
through: through
|
||||
repeats: repeats
|
||||
stir_time: stir_time
|
||||
stir_speed: stir_speed
|
||||
settling_time: settling_time
|
||||
feedback: {}
|
||||
result: {}
|
||||
handles:
|
||||
input:
|
||||
- handler_key: from_vessel
|
||||
label: From Vessel
|
||||
data_type: resource
|
||||
data_source: handle
|
||||
data_key: vessel
|
||||
- handler_key: to_vessel
|
||||
label: To Vessel
|
||||
data_type: resource
|
||||
data_source: executor
|
||||
data_key: vessel
|
||||
- handler_key: solvent
|
||||
label: Solvent
|
||||
data_type: resource
|
||||
data_source: handle
|
||||
data_key: solvent
|
||||
output:
|
||||
- handler_key: from_vessel_out
|
||||
label: From Vessel
|
||||
data_type: resource
|
||||
data_source: handle
|
||||
data_key: vessel
|
||||
- handler_key: to_vessel_out
|
||||
label: To Vessel
|
||||
data_type: resource
|
||||
data_source: executor
|
||||
data_key: vessel
|
||||
|
||||
StartStirProtocol:
|
||||
type: StartStir
|
||||
goal:
|
||||
vessel: vessel
|
||||
stir_speed: stir_speed
|
||||
purpose: purpose
|
||||
feedback: {}
|
||||
result: {}
|
||||
handles:
|
||||
input:
|
||||
- handler_key: vessel
|
||||
label: Vessel
|
||||
data_type: resource
|
||||
data_source: handle
|
||||
data_key: vessel
|
||||
output:
|
||||
- handler_key: vessel_out
|
||||
label: Vessel
|
||||
data_type: resource
|
||||
data_source: executor
|
||||
data_key: vessel
|
||||
|
||||
StirProtocol:
|
||||
type: Stir
|
||||
goal:
|
||||
stir_time: stir_time
|
||||
stir_speed: stir_speed
|
||||
settling_time: settling_time
|
||||
feedback: {}
|
||||
result: {}
|
||||
handles:
|
||||
input:
|
||||
- handler_key: vessel
|
||||
label: Vessel
|
||||
data_type: resource
|
||||
data_source: handle
|
||||
data_key: vessel
|
||||
output:
|
||||
- handler_key: vessel_out
|
||||
label: Vessel
|
||||
data_type: resource
|
||||
data_source: executor
|
||||
data_key: vessel
|
||||
|
||||
StopStirProtocol:
|
||||
type: StopStir
|
||||
goal:
|
||||
vessel: vessel
|
||||
feedback: {}
|
||||
result: {}
|
||||
handles:
|
||||
input:
|
||||
- handler_key: vessel
|
||||
label: Vessel
|
||||
data_type: resource
|
||||
data_source: handle
|
||||
data_key: vessel
|
||||
output:
|
||||
- handler_key: vessel_out
|
||||
label: Vessel
|
||||
data_type: resource
|
||||
data_source: executor
|
||||
data_key: vessel
|
||||
|
||||
TransferProtocol:
|
||||
type: Transfer
|
||||
goal:
|
||||
from_vessel: from_vessel
|
||||
to_vessel: to_vessel
|
||||
volume: volume
|
||||
amount: amount
|
||||
time: time
|
||||
viscous: viscous
|
||||
rinsing_solvent: rinsing_solvent
|
||||
rinsing_volume: rinsing_volume
|
||||
rinsing_repeats: rinsing_repeats
|
||||
solid: solid
|
||||
feedback: {}
|
||||
result: {}
|
||||
handles:
|
||||
input:
|
||||
- handler_key: from_vessel
|
||||
label: From Vessel
|
||||
data_type: resource
|
||||
data_source: handle
|
||||
data_key: vessel
|
||||
- handler_key: to_vessel
|
||||
label: To Vessel
|
||||
data_type: resource
|
||||
data_source: executor
|
||||
data_key: vessel
|
||||
- handler_key: solvent
|
||||
label: Rinsing Solvent
|
||||
data_type: resource
|
||||
data_source: handle
|
||||
data_key: solvent
|
||||
output:
|
||||
- handler_key: from_vessel_out
|
||||
label: From Vessel
|
||||
data_type: resource
|
||||
data_source: handle
|
||||
data_key: vessel
|
||||
- handler_key: to_vessel_out
|
||||
label: To Vessel
|
||||
data_type: resource
|
||||
data_source: executor
|
||||
data_key: vessel
|
||||
|
||||
WashSolidProtocol:
|
||||
type: WashSolid
|
||||
goal:
|
||||
vessel: vessel
|
||||
solvent: solvent
|
||||
volume: volume
|
||||
filtrate_vessel: filtrate_vessel
|
||||
temp: temp
|
||||
stir: stir
|
||||
stir_speed: stir_speed
|
||||
time: time
|
||||
repeats: repeats
|
||||
feedback: {}
|
||||
result: {}
|
||||
handles:
|
||||
input:
|
||||
- handler_key: vessel
|
||||
label: Vessel
|
||||
data_type: resource
|
||||
data_source: handle
|
||||
data_key: vessel
|
||||
- handler_key: solvent
|
||||
label: Solvent
|
||||
data_type: resource
|
||||
data_source: handle
|
||||
data_key: solvent
|
||||
- handler_key: filtrate_vessel
|
||||
label: Filtrate Vessel
|
||||
data_type: resource
|
||||
data_source: executor
|
||||
data_key: vessel
|
||||
output:
|
||||
- handler_key: vessel_out
|
||||
label: Vessel Out
|
||||
data_type: resource
|
||||
data_source: handle
|
||||
data_key: vessel
|
||||
- handler_key: filtrate_vessel_out
|
||||
label: Filtrate Vessel
|
||||
data_type: resource
|
||||
data_source: executor
|
||||
data_key: vessel
|
||||
@@ -1,5 +1,6 @@
|
||||
container:
|
||||
description: regular organic container
|
||||
icon: Flask.webp
|
||||
class:
|
||||
module: unilabos.resources.container:RegularContainer
|
||||
type: unilabos
|
||||
@@ -9,13 +10,19 @@ container:
|
||||
io_type: target
|
||||
data_type: fluid
|
||||
side: NORTH
|
||||
data_source: handle
|
||||
data_key: fluid_in
|
||||
- handler_key: bottom
|
||||
label: bottom
|
||||
io_type: source
|
||||
data_type: fluid
|
||||
side: SOUTH
|
||||
data_source: handle
|
||||
data_key: fluid_out
|
||||
- handler_key: bind
|
||||
label: bind
|
||||
io_type: target
|
||||
data_type: mechanical
|
||||
side: SOUTH
|
||||
data_source: handle
|
||||
data_key: mechanical_port
|
||||
Reference in New Issue
Block a user