@mat3ra/prode 2026.3.30-0 → 2026.6.5-0
This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
- package/dist/js/PropertyFactory.d.ts +2 -1
- package/dist/js/PropertyFactory.js +2 -0
- package/dist/js/generated/AtomicConstraintsPropertySchemaMixin.d.ts +1 -1
- package/dist/js/generated/AtomicConstraintsPropertySchemaMixin.js +6 -0
- package/dist/js/generated/AtomicForcesPropertySchemaMixin.d.ts +1 -1
- package/dist/js/generated/AtomicForcesPropertySchemaMixin.js +9 -0
- package/dist/js/generated/AveragePotentialProfilePropertySchemaMixin.d.ts +1 -1
- package/dist/js/generated/AveragePotentialProfilePropertySchemaMixin.js +15 -0
- package/dist/js/generated/BandGapsPropertySchemaMixin.d.ts +1 -1
- package/dist/js/generated/BandGapsPropertySchemaMixin.js +9 -0
- package/dist/js/generated/BandStructurePropertySchemaMixin.d.ts +1 -1
- package/dist/js/generated/BandStructurePropertySchemaMixin.js +18 -0
- package/dist/js/generated/BoundaryConditionsPropertySchemaMixin.d.ts +1 -1
- package/dist/js/generated/BoundaryConditionsPropertySchemaMixin.js +9 -0
- package/dist/js/generated/ChargeDensityProfilePropertySchemaMixin.d.ts +1 -1
- package/dist/js/generated/ChargeDensityProfilePropertySchemaMixin.js +15 -0
- package/dist/js/generated/ConvergenceElectronicPropertySchemaMixin.d.ts +1 -1
- package/dist/js/generated/ConvergenceElectronicPropertySchemaMixin.js +9 -0
- package/dist/js/generated/ConvergenceIonicPropertySchemaMixin.d.ts +1 -1
- package/dist/js/generated/ConvergenceIonicPropertySchemaMixin.js +12 -0
- package/dist/js/generated/DensityOfStatesPropertySchemaMixin.d.ts +1 -1
- package/dist/js/generated/DensityOfStatesPropertySchemaMixin.js +18 -0
- package/dist/js/generated/DielectricTensorPropertySchemaMixin.d.ts +1 -1
- package/dist/js/generated/DielectricTensorPropertySchemaMixin.js +6 -0
- package/dist/js/generated/FermiEnergyPropertySchemaMixin.d.ts +1 -1
- package/dist/js/generated/FermiEnergyPropertySchemaMixin.js +9 -0
- package/dist/js/generated/FileContentPropertySchemaMixin.d.ts +1 -1
- package/dist/js/generated/FileContentPropertySchemaMixin.js +15 -0
- package/dist/js/generated/FinalStructurePropertySchemaMixin.d.ts +1 -1
- package/dist/js/generated/FinalStructurePropertySchemaMixin.js +9 -0
- package/dist/js/generated/FormationEnergyPropertySchemaMixin.d.ts +5 -0
- package/dist/js/generated/FormationEnergyPropertySchemaMixin.js +27 -0
- package/dist/js/generated/HOMOEnergyPropertySchemaMixin.d.ts +1 -1
- package/dist/js/generated/HOMOEnergyPropertySchemaMixin.js +9 -0
- package/dist/js/generated/HubbardUPropertySchemaMixin.d.ts +1 -1
- package/dist/js/generated/HubbardUPropertySchemaMixin.js +9 -0
- package/dist/js/generated/HubbardVNNPropertySchemaMixin.d.ts +1 -1
- package/dist/js/generated/HubbardVNNPropertySchemaMixin.js +9 -0
- package/dist/js/generated/HubbardVPropertySchemaMixin.d.ts +1 -1
- package/dist/js/generated/HubbardVPropertySchemaMixin.js +9 -0
- package/dist/js/generated/IonizationPotentialElementalPropertySchemaMixin.d.ts +1 -1
- package/dist/js/generated/IonizationPotentialElementalPropertySchemaMixin.js +9 -0
- package/dist/js/generated/IsRelaxedPropertySchemaMixin.d.ts +1 -1
- package/dist/js/generated/IsRelaxedPropertySchemaMixin.js +9 -0
- package/dist/js/generated/JupyterNotebookEndpointPropertySchemaMixin.d.ts +1 -1
- package/dist/js/generated/JupyterNotebookEndpointPropertySchemaMixin.js +12 -0
- package/dist/js/generated/LUMOEnergyPropertySchemaMixin.d.ts +1 -1
- package/dist/js/generated/LUMOEnergyPropertySchemaMixin.js +9 -0
- package/dist/js/generated/MagneticMomentsPropertySchemaMixin.d.ts +1 -1
- package/dist/js/generated/MagneticMomentsPropertySchemaMixin.js +9 -0
- package/dist/js/generated/MetaPropertyHolderSchemaMixin.d.ts +1 -1
- package/dist/js/generated/MetaPropertyHolderSchemaMixin.js +6 -0
- package/dist/js/generated/PhononDOSPropertySchemaMixin.d.ts +1 -1
- package/dist/js/generated/PhononDOSPropertySchemaMixin.js +15 -0
- package/dist/js/generated/PhononDispersionsPropertySchemaMixin.d.ts +1 -1
- package/dist/js/generated/PhononDispersionsPropertySchemaMixin.js +15 -0
- package/dist/js/generated/PotentialProfilePropertySchemaMixin.d.ts +1 -1
- package/dist/js/generated/PotentialProfilePropertySchemaMixin.js +15 -0
- package/dist/js/generated/PressurePropertySchemaMixin.d.ts +1 -1
- package/dist/js/generated/PressurePropertySchemaMixin.js +9 -0
- package/dist/js/generated/PropertyHolderSchemaMixin.d.ts +1 -1
- package/dist/js/generated/PropertyHolderSchemaMixin.js +21 -0
- package/dist/js/generated/ProtoPropertyHolderSchemaMixin.d.ts +1 -1
- package/dist/js/generated/ProtoPropertyHolderSchemaMixin.js +6 -0
- package/dist/js/generated/PseudopotentialMetaPropertySchemaMixin.d.ts +1 -1
- package/dist/js/generated/PseudopotentialMetaPropertySchemaMixin.js +36 -0
- package/dist/js/generated/ReactionEnergyBarrierPropertySchemaMixin.d.ts +1 -1
- package/dist/js/generated/ReactionEnergyBarrierPropertySchemaMixin.js +9 -0
- package/dist/js/generated/ReactionEnergyProfilePropertySchemaMixin.d.ts +1 -1
- package/dist/js/generated/ReactionEnergyProfilePropertySchemaMixin.js +15 -0
- package/dist/js/generated/StressTensorPropertySchemaMixin.d.ts +1 -1
- package/dist/js/generated/StressTensorPropertySchemaMixin.js +9 -0
- package/dist/js/generated/SurfaceEnergyPropertySchemaMixin.d.ts +1 -1
- package/dist/js/generated/SurfaceEnergyPropertySchemaMixin.js +9 -0
- package/dist/js/generated/ThermalCorrectionToEnergyPropertySchemaMixin.d.ts +1 -1
- package/dist/js/generated/ThermalCorrectionToEnergyPropertySchemaMixin.js +9 -0
- package/dist/js/generated/ThermalCorrectionToEnthalpyPropertySchemaMixin.d.ts +1 -1
- package/dist/js/generated/ThermalCorrectionToEnthalpyPropertySchemaMixin.js +9 -0
- package/dist/js/generated/TotalEnergyContributionsPropertySchemaMixin.d.ts +1 -1
- package/dist/js/generated/TotalEnergyContributionsPropertySchemaMixin.js +48 -0
- package/dist/js/generated/TotalEnergyPropertySchemaMixin.d.ts +1 -1
- package/dist/js/generated/TotalEnergyPropertySchemaMixin.js +9 -0
- package/dist/js/generated/TotalForcePropertySchemaMixin.d.ts +1 -1
- package/dist/js/generated/TotalForcePropertySchemaMixin.js +9 -0
- package/dist/js/generated/ValenceBandOffsetPropertySchemaMixin.d.ts +1 -1
- package/dist/js/generated/ValenceBandOffsetPropertySchemaMixin.js +9 -0
- package/dist/js/generated/WavefunctionAmplitudePropertySchemaMixin.d.ts +1 -1
- package/dist/js/generated/WavefunctionAmplitudePropertySchemaMixin.js +15 -0
- package/dist/js/generated/WorkflowPropertySchemaMixin.d.ts +1 -1
- package/dist/js/generated/WorkflowPropertySchemaMixin.js +39 -12
- package/dist/js/generated/ZeroPointEnergyPropertySchemaMixin.d.ts +1 -1
- package/dist/js/generated/ZeroPointEnergyPropertySchemaMixin.js +9 -0
- package/dist/js/holders/MetaPropertyHolder.d.ts +4 -5
- package/dist/js/holders/MetaPropertyHolder.js +1 -1
- package/dist/js/holders/PropertyHolder.d.ts +5 -4
- package/dist/js/holders/mixins/MetaPropertyHolderMixin.d.ts +2 -2
- package/dist/js/holders/mixins/MetaPropertyHolderMixin.js +0 -1
- package/dist/js/index.d.ts +4 -0
- package/dist/js/index.js +9 -1
- package/dist/js/meta_properties/PseudopotentialMetaProperty.d.ts +14 -14
- package/dist/js/meta_properties/PseudopotentialMetaProperty.js +7 -1
- package/dist/js/properties/scalar/FormationEnergyProperty.d.ts +15 -0
- package/dist/js/properties/scalar/FormationEnergyProperty.js +18 -0
- package/dist/js/properties/scalar/ThermalCorrectionToEnergyProperty.d.ts +5 -5
- package/dist/js/properties/scalar/ThermalCorrectionToEnergyProperty.js +1 -1
- package/dist/js/properties/scalar/ThermalCorrectionToEnthalpyProperty.d.ts +5 -5
- package/dist/js/properties/scalar/ThermalCorrectionToEnthalpyProperty.js +1 -1
- package/dist/js/settings.d.ts +1 -0
- package/dist/js/settings.js +1 -0
- package/dist/js/types.d.ts +1 -0
- package/package.json +5 -5
- package/src/js/PropertyFactory.ts +3 -0
- package/src/js/generated/AtomicConstraintsPropertySchemaMixin.ts +9 -1
- package/src/js/generated/AtomicForcesPropertySchemaMixin.ts +12 -1
- package/src/js/generated/AveragePotentialProfilePropertySchemaMixin.ts +18 -1
- package/src/js/generated/BandGapsPropertySchemaMixin.ts +12 -1
- package/src/js/generated/BandStructurePropertySchemaMixin.ts +21 -1
- package/src/js/generated/BoundaryConditionsPropertySchemaMixin.ts +12 -1
- package/src/js/generated/ChargeDensityProfilePropertySchemaMixin.ts +18 -1
- package/src/js/generated/ConvergenceElectronicPropertySchemaMixin.ts +12 -1
- package/src/js/generated/ConvergenceIonicPropertySchemaMixin.ts +15 -1
- package/src/js/generated/DensityOfStatesPropertySchemaMixin.ts +21 -1
- package/src/js/generated/DielectricTensorPropertySchemaMixin.ts +9 -1
- package/src/js/generated/FermiEnergyPropertySchemaMixin.ts +12 -1
- package/src/js/generated/FileContentPropertySchemaMixin.ts +18 -1
- package/src/js/generated/FinalStructurePropertySchemaMixin.ts +12 -1
- package/src/js/generated/FormationEnergyPropertySchemaMixin.ts +38 -0
- package/src/js/generated/HOMOEnergyPropertySchemaMixin.ts +12 -1
- package/src/js/generated/HubbardUPropertySchemaMixin.ts +12 -1
- package/src/js/generated/HubbardVNNPropertySchemaMixin.ts +12 -1
- package/src/js/generated/HubbardVPropertySchemaMixin.ts +12 -1
- package/src/js/generated/IonizationPotentialElementalPropertySchemaMixin.ts +12 -1
- package/src/js/generated/IsRelaxedPropertySchemaMixin.ts +12 -1
- package/src/js/generated/JupyterNotebookEndpointPropertySchemaMixin.ts +15 -1
- package/src/js/generated/LUMOEnergyPropertySchemaMixin.ts +12 -1
- package/src/js/generated/MagneticMomentsPropertySchemaMixin.ts +12 -1
- package/src/js/generated/MetaPropertyHolderSchemaMixin.ts +9 -1
- package/src/js/generated/PhononDOSPropertySchemaMixin.ts +18 -1
- package/src/js/generated/PhononDispersionsPropertySchemaMixin.ts +18 -1
- package/src/js/generated/PotentialProfilePropertySchemaMixin.ts +18 -1
- package/src/js/generated/PressurePropertySchemaMixin.ts +12 -1
- package/src/js/generated/PropertyHolderSchemaMixin.ts +24 -1
- package/src/js/generated/ProtoPropertyHolderSchemaMixin.ts +9 -1
- package/src/js/generated/PseudopotentialMetaPropertySchemaMixin.ts +39 -1
- package/src/js/generated/ReactionEnergyBarrierPropertySchemaMixin.ts +12 -1
- package/src/js/generated/ReactionEnergyProfilePropertySchemaMixin.ts +18 -1
- package/src/js/generated/StressTensorPropertySchemaMixin.ts +12 -1
- package/src/js/generated/SurfaceEnergyPropertySchemaMixin.ts +12 -1
- package/src/js/generated/ThermalCorrectionToEnergyPropertySchemaMixin.ts +12 -1
- package/src/js/generated/ThermalCorrectionToEnthalpyPropertySchemaMixin.ts +12 -1
- package/src/js/generated/TotalEnergyContributionsPropertySchemaMixin.ts +59 -1
- package/src/js/generated/TotalEnergyPropertySchemaMixin.ts +12 -1
- package/src/js/generated/TotalForcePropertySchemaMixin.ts +12 -1
- package/src/js/generated/ValenceBandOffsetPropertySchemaMixin.ts +12 -1
- package/src/js/generated/WavefunctionAmplitudePropertySchemaMixin.ts +18 -1
- package/src/js/generated/WorkflowPropertySchemaMixin.ts +42 -13
- package/src/js/generated/ZeroPointEnergyPropertySchemaMixin.ts +12 -1
- package/src/js/holders/MetaPropertyHolder.ts +5 -3
- package/src/js/holders/PropertyHolder.ts +5 -3
- package/src/js/holders/mixins/MetaPropertyHolderMixin.ts +6 -7
- package/src/js/index.ts +4 -0
- package/src/js/meta_properties/PseudopotentialMetaProperty.ts +24 -15
- package/src/js/properties/scalar/FormationEnergyProperty.ts +27 -0
- package/src/js/properties/scalar/ThermalCorrectionToEnergyProperty.ts +7 -3
- package/src/js/properties/scalar/ThermalCorrectionToEnthalpyProperty.ts +8 -3
- package/src/js/settings.ts +1 -0
- package/src/js/types.ts +4 -0
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@@ -8,15 +8,23 @@ export type ProtoPropertyHolderSchemaMixin = Omit<
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export type ProtoPropertyHolderInMemoryEntity = InMemoryEntity & ProtoPropertyHolderSchemaMixin;
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export function protoPropertyHolderSchemaMixin
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export function protoPropertyHolderSchemaMixin<T extends InMemoryEntity>(
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item: InMemoryEntity,
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): asserts item is T & ProtoPropertyHolderSchemaMixin {
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// @ts-expect-error
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const properties: InMemoryEntity & ProtoPropertyHolderSchemaMixin = {
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get data() {
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return this.requiredProp<ProtoPropertyHolderSchema["data"]>("data");
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},
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set data(value: ProtoPropertyHolderSchema["data"]) {
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this.setProp("data", value);
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},
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get source() {
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return this.requiredProp<ProtoPropertyHolderSchema["source"]>("source");
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},
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set source(value: ProtoPropertyHolderSchema["source"]) {
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this.setProp("source", value);
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};
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export type PseudopotentialMetaPropertyInMemoryEntity = InMemoryEntity &
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PseudopotentialMetaPropertySchemaMixin;
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export function pseudopotentialMetaPropertySchemaMixin
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export function pseudopotentialMetaPropertySchemaMixin<T extends InMemoryEntity>(
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item: InMemoryEntity,
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): asserts item is T & PseudopotentialMetaPropertySchemaMixin {
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// @ts-expect-error
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const properties: InMemoryEntity & PseudopotentialMetaPropertySchemaMixin = {
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get element() {
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return this.requiredProp<FileDataItem["element"]>("element");
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set element(value: FileDataItem["element"]) {
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this.setProp("element", value);
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},
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get hash() {
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return this.requiredProp<FileDataItem["hash"]>("hash");
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set hash(value: FileDataItem["hash"]) {
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get type() {
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set exchangeCorrelation(value: FileDataItem["exchangeCorrelation"]) {
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get valenceConfiguration() {
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return this.prop<FileDataItem["valenceConfiguration"]>("valenceConfiguration");
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set valenceConfiguration(value: FileDataItem["valenceConfiguration"]) {
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this.setProp("valenceConfiguration", value);
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},
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get path() {
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get filename() {
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get name() {
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set cutoffs(value: FileDataItem["cutoffs"]) {
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export type ReactionEnergyBarrierPropertyInMemoryEntity = InMemoryEntity &
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export function reactionEnergyBarrierPropertySchemaMixin
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export function reactionEnergyBarrierPropertySchemaMixin<T extends InMemoryEntity>(
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const properties: InMemoryEntity & ReactionEnergyBarrierPropertySchemaMixin = {
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get name() {
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set name(value: ReactionEnergyBarrierPropertySchema["name"]) {
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set units(value: ReactionEnergyBarrierPropertySchema["units"]) {
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set value(value: ReactionEnergyBarrierPropertySchema["value"]) {
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export function reactionEnergyProfilePropertySchemaMixin
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export function reactionEnergyProfilePropertySchemaMixin<T extends InMemoryEntity>(
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const properties: InMemoryEntity & ReactionEnergyProfilePropertySchemaMixin = {
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get xAxis() {
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set xAxis(value: ReactionEnergyProfilePropertySchema["xAxis"]) {
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},
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get yAxis() {
|
|
19
24
|
return this.requiredProp<ReactionEnergyProfilePropertySchema["yAxis"]>("yAxis");
|
|
20
25
|
},
|
|
26
|
+
set yAxis(value: ReactionEnergyProfilePropertySchema["yAxis"]) {
|
|
27
|
+
this.setProp("yAxis", value);
|
|
28
|
+
},
|
|
21
29
|
get name() {
|
|
22
30
|
return this.requiredProp<ReactionEnergyProfilePropertySchema["name"]>("name");
|
|
23
31
|
},
|
|
32
|
+
set name(value: ReactionEnergyProfilePropertySchema["name"]) {
|
|
33
|
+
this.setProp("name", value);
|
|
34
|
+
},
|
|
24
35
|
get xDataArray() {
|
|
25
36
|
return this.requiredProp<ReactionEnergyProfilePropertySchema["xDataArray"]>(
|
|
26
37
|
"xDataArray",
|
|
27
38
|
);
|
|
28
39
|
},
|
|
40
|
+
set xDataArray(value: ReactionEnergyProfilePropertySchema["xDataArray"]) {
|
|
41
|
+
this.setProp("xDataArray", value);
|
|
42
|
+
},
|
|
29
43
|
get yDataSeries() {
|
|
30
44
|
return this.requiredProp<ReactionEnergyProfilePropertySchema["yDataSeries"]>(
|
|
31
45
|
"yDataSeries",
|
|
32
46
|
);
|
|
33
47
|
},
|
|
48
|
+
set yDataSeries(value: ReactionEnergyProfilePropertySchema["yDataSeries"]) {
|
|
49
|
+
this.setProp("yDataSeries", value);
|
|
50
|
+
},
|
|
34
51
|
};
|
|
35
52
|
|
|
36
53
|
Object.defineProperties(item, Object.getOwnPropertyDescriptors(properties));
|
|
@@ -8,18 +8,29 @@ export type StressTensorPropertySchemaMixin = Omit<
|
|
|
8
8
|
|
|
9
9
|
export type StressTensorPropertyInMemoryEntity = InMemoryEntity & StressTensorPropertySchemaMixin;
|
|
10
10
|
|
|
11
|
-
export function stressTensorPropertySchemaMixin
|
|
11
|
+
export function stressTensorPropertySchemaMixin<T extends InMemoryEntity>(
|
|
12
|
+
item: InMemoryEntity,
|
|
13
|
+
): asserts item is T & StressTensorPropertySchemaMixin {
|
|
12
14
|
// @ts-expect-error
|
|
13
15
|
const properties: InMemoryEntity & StressTensorPropertySchemaMixin = {
|
|
14
16
|
get value() {
|
|
15
17
|
return this.requiredProp<StressTensorPropertySchema["value"]>("value");
|
|
16
18
|
},
|
|
19
|
+
set value(value: StressTensorPropertySchema["value"]) {
|
|
20
|
+
this.setProp("value", value);
|
|
21
|
+
},
|
|
17
22
|
get name() {
|
|
18
23
|
return this.requiredProp<StressTensorPropertySchema["name"]>("name");
|
|
19
24
|
},
|
|
25
|
+
set name(value: StressTensorPropertySchema["name"]) {
|
|
26
|
+
this.setProp("name", value);
|
|
27
|
+
},
|
|
20
28
|
get units() {
|
|
21
29
|
return this.requiredProp<StressTensorPropertySchema["units"]>("units");
|
|
22
30
|
},
|
|
31
|
+
set units(value: StressTensorPropertySchema["units"]) {
|
|
32
|
+
this.setProp("units", value);
|
|
33
|
+
},
|
|
23
34
|
};
|
|
24
35
|
|
|
25
36
|
Object.defineProperties(item, Object.getOwnPropertyDescriptors(properties));
|
|
@@ -8,18 +8,29 @@ export type SurfaceEnergyPropertySchemaMixin = Omit<
|
|
|
8
8
|
|
|
9
9
|
export type SurfaceEnergyPropertyInMemoryEntity = InMemoryEntity & SurfaceEnergyPropertySchemaMixin;
|
|
10
10
|
|
|
11
|
-
export function surfaceEnergyPropertySchemaMixin
|
|
11
|
+
export function surfaceEnergyPropertySchemaMixin<T extends InMemoryEntity>(
|
|
12
|
+
item: InMemoryEntity,
|
|
13
|
+
): asserts item is T & SurfaceEnergyPropertySchemaMixin {
|
|
12
14
|
// @ts-expect-error
|
|
13
15
|
const properties: InMemoryEntity & SurfaceEnergyPropertySchemaMixin = {
|
|
14
16
|
get name() {
|
|
15
17
|
return this.requiredProp<SurfaceEnergyPropertySchema["name"]>("name");
|
|
16
18
|
},
|
|
19
|
+
set name(value: SurfaceEnergyPropertySchema["name"]) {
|
|
20
|
+
this.setProp("name", value);
|
|
21
|
+
},
|
|
17
22
|
get units() {
|
|
18
23
|
return this.requiredProp<SurfaceEnergyPropertySchema["units"]>("units");
|
|
19
24
|
},
|
|
25
|
+
set units(value: SurfaceEnergyPropertySchema["units"]) {
|
|
26
|
+
this.setProp("units", value);
|
|
27
|
+
},
|
|
20
28
|
get value() {
|
|
21
29
|
return this.requiredProp<SurfaceEnergyPropertySchema["value"]>("value");
|
|
22
30
|
},
|
|
31
|
+
set value(value: SurfaceEnergyPropertySchema["value"]) {
|
|
32
|
+
this.setProp("value", value);
|
|
33
|
+
},
|
|
23
34
|
};
|
|
24
35
|
|
|
25
36
|
Object.defineProperties(item, Object.getOwnPropertyDescriptors(properties));
|
|
@@ -9,18 +9,29 @@ export type ThermalCorrectionToEnergyPropertySchemaMixin = Omit<
|
|
|
9
9
|
export type ThermalCorrectionToEnergyPropertyInMemoryEntity = InMemoryEntity &
|
|
10
10
|
ThermalCorrectionToEnergyPropertySchemaMixin;
|
|
11
11
|
|
|
12
|
-
export function thermalCorrectionToEnergyPropertySchemaMixin
|
|
12
|
+
export function thermalCorrectionToEnergyPropertySchemaMixin<T extends InMemoryEntity>(
|
|
13
|
+
item: InMemoryEntity,
|
|
14
|
+
): asserts item is T & ThermalCorrectionToEnergyPropertySchemaMixin {
|
|
13
15
|
// @ts-expect-error
|
|
14
16
|
const properties: InMemoryEntity & ThermalCorrectionToEnergyPropertySchemaMixin = {
|
|
15
17
|
get name() {
|
|
16
18
|
return this.requiredProp<ThermalCorrectionToEnergyPropertySchema["name"]>("name");
|
|
17
19
|
},
|
|
20
|
+
set name(value: ThermalCorrectionToEnergyPropertySchema["name"]) {
|
|
21
|
+
this.setProp("name", value);
|
|
22
|
+
},
|
|
18
23
|
get units() {
|
|
19
24
|
return this.requiredProp<ThermalCorrectionToEnergyPropertySchema["units"]>("units");
|
|
20
25
|
},
|
|
26
|
+
set units(value: ThermalCorrectionToEnergyPropertySchema["units"]) {
|
|
27
|
+
this.setProp("units", value);
|
|
28
|
+
},
|
|
21
29
|
get value() {
|
|
22
30
|
return this.requiredProp<ThermalCorrectionToEnergyPropertySchema["value"]>("value");
|
|
23
31
|
},
|
|
32
|
+
set value(value: ThermalCorrectionToEnergyPropertySchema["value"]) {
|
|
33
|
+
this.setProp("value", value);
|
|
34
|
+
},
|
|
24
35
|
};
|
|
25
36
|
|
|
26
37
|
Object.defineProperties(item, Object.getOwnPropertyDescriptors(properties));
|
|
@@ -9,18 +9,29 @@ export type ThermalCorrectionToEnthalpyPropertySchemaMixin = Omit<
|
|
|
9
9
|
export type ThermalCorrectionToEnthalpyPropertyInMemoryEntity = InMemoryEntity &
|
|
10
10
|
ThermalCorrectionToEnthalpyPropertySchemaMixin;
|
|
11
11
|
|
|
12
|
-
export function thermalCorrectionToEnthalpyPropertySchemaMixin
|
|
12
|
+
export function thermalCorrectionToEnthalpyPropertySchemaMixin<T extends InMemoryEntity>(
|
|
13
|
+
item: InMemoryEntity,
|
|
14
|
+
): asserts item is T & ThermalCorrectionToEnthalpyPropertySchemaMixin {
|
|
13
15
|
// @ts-expect-error
|
|
14
16
|
const properties: InMemoryEntity & ThermalCorrectionToEnthalpyPropertySchemaMixin = {
|
|
15
17
|
get name() {
|
|
16
18
|
return this.requiredProp<ThermalCorrectionToEnthalpyPropertySchema["name"]>("name");
|
|
17
19
|
},
|
|
20
|
+
set name(value: ThermalCorrectionToEnthalpyPropertySchema["name"]) {
|
|
21
|
+
this.setProp("name", value);
|
|
22
|
+
},
|
|
18
23
|
get units() {
|
|
19
24
|
return this.requiredProp<ThermalCorrectionToEnthalpyPropertySchema["units"]>("units");
|
|
20
25
|
},
|
|
26
|
+
set units(value: ThermalCorrectionToEnthalpyPropertySchema["units"]) {
|
|
27
|
+
this.setProp("units", value);
|
|
28
|
+
},
|
|
21
29
|
get value() {
|
|
22
30
|
return this.requiredProp<ThermalCorrectionToEnthalpyPropertySchema["value"]>("value");
|
|
23
31
|
},
|
|
32
|
+
set value(value: ThermalCorrectionToEnthalpyPropertySchema["value"]) {
|
|
33
|
+
this.setProp("value", value);
|
|
34
|
+
},
|
|
24
35
|
};
|
|
25
36
|
|
|
26
37
|
Object.defineProperties(item, Object.getOwnPropertyDescriptors(properties));
|
|
@@ -9,7 +9,9 @@ export type TotalEnergyContributionsPropertySchemaMixin = Omit<
|
|
|
9
9
|
export type TotalEnergyContributionsPropertyInMemoryEntity = InMemoryEntity &
|
|
10
10
|
TotalEnergyContributionsPropertySchemaMixin;
|
|
11
11
|
|
|
12
|
-
export function totalEnergyContributionsPropertySchemaMixin
|
|
12
|
+
export function totalEnergyContributionsPropertySchemaMixin<T extends InMemoryEntity>(
|
|
13
|
+
item: InMemoryEntity,
|
|
14
|
+
): asserts item is T & TotalEnergyContributionsPropertySchemaMixin {
|
|
13
15
|
// @ts-expect-error
|
|
14
16
|
const properties: InMemoryEntity & TotalEnergyContributionsPropertySchemaMixin = {
|
|
15
17
|
get temperatureEntropy() {
|
|
@@ -17,63 +19,119 @@ export function totalEnergyContributionsPropertySchemaMixin(item: InMemoryEntity
|
|
|
17
19
|
"temperatureEntropy",
|
|
18
20
|
);
|
|
19
21
|
},
|
|
22
|
+
set temperatureEntropy(
|
|
23
|
+
value: TotalEnergyContributionsPropertySchema["temperatureEntropy"],
|
|
24
|
+
) {
|
|
25
|
+
this.setProp("temperatureEntropy", value);
|
|
26
|
+
},
|
|
20
27
|
get harris_foulkes() {
|
|
21
28
|
return this.prop<TotalEnergyContributionsPropertySchema["harris_foulkes"]>(
|
|
22
29
|
"harris_foulkes",
|
|
23
30
|
);
|
|
24
31
|
},
|
|
32
|
+
set harris_foulkes(value: TotalEnergyContributionsPropertySchema["harris_foulkes"]) {
|
|
33
|
+
this.setProp("harris_foulkes", value);
|
|
34
|
+
},
|
|
25
35
|
get smearing() {
|
|
26
36
|
return this.prop<TotalEnergyContributionsPropertySchema["smearing"]>("smearing");
|
|
27
37
|
},
|
|
38
|
+
set smearing(value: TotalEnergyContributionsPropertySchema["smearing"]) {
|
|
39
|
+
this.setProp("smearing", value);
|
|
40
|
+
},
|
|
28
41
|
get one_electron() {
|
|
29
42
|
return this.prop<TotalEnergyContributionsPropertySchema["one_electron"]>(
|
|
30
43
|
"one_electron",
|
|
31
44
|
);
|
|
32
45
|
},
|
|
46
|
+
set one_electron(value: TotalEnergyContributionsPropertySchema["one_electron"]) {
|
|
47
|
+
this.setProp("one_electron", value);
|
|
48
|
+
},
|
|
33
49
|
get hartree() {
|
|
34
50
|
return this.prop<TotalEnergyContributionsPropertySchema["hartree"]>("hartree");
|
|
35
51
|
},
|
|
52
|
+
set hartree(value: TotalEnergyContributionsPropertySchema["hartree"]) {
|
|
53
|
+
this.setProp("hartree", value);
|
|
54
|
+
},
|
|
36
55
|
get exchange() {
|
|
37
56
|
return this.prop<TotalEnergyContributionsPropertySchema["exchange"]>("exchange");
|
|
38
57
|
},
|
|
58
|
+
set exchange(value: TotalEnergyContributionsPropertySchema["exchange"]) {
|
|
59
|
+
this.setProp("exchange", value);
|
|
60
|
+
},
|
|
39
61
|
get exchange_correlation() {
|
|
40
62
|
return this.prop<TotalEnergyContributionsPropertySchema["exchange_correlation"]>(
|
|
41
63
|
"exchange_correlation",
|
|
42
64
|
);
|
|
43
65
|
},
|
|
66
|
+
set exchange_correlation(
|
|
67
|
+
value: TotalEnergyContributionsPropertySchema["exchange_correlation"],
|
|
68
|
+
) {
|
|
69
|
+
this.setProp("exchange_correlation", value);
|
|
70
|
+
},
|
|
44
71
|
get ewald() {
|
|
45
72
|
return this.prop<TotalEnergyContributionsPropertySchema["ewald"]>("ewald");
|
|
46
73
|
},
|
|
74
|
+
set ewald(value: TotalEnergyContributionsPropertySchema["ewald"]) {
|
|
75
|
+
this.setProp("ewald", value);
|
|
76
|
+
},
|
|
47
77
|
get alphaZ() {
|
|
48
78
|
return this.prop<TotalEnergyContributionsPropertySchema["alphaZ"]>("alphaZ");
|
|
49
79
|
},
|
|
80
|
+
set alphaZ(value: TotalEnergyContributionsPropertySchema["alphaZ"]) {
|
|
81
|
+
this.setProp("alphaZ", value);
|
|
82
|
+
},
|
|
50
83
|
get atomicEnergy() {
|
|
51
84
|
return this.prop<TotalEnergyContributionsPropertySchema["atomicEnergy"]>(
|
|
52
85
|
"atomicEnergy",
|
|
53
86
|
);
|
|
54
87
|
},
|
|
88
|
+
set atomicEnergy(value: TotalEnergyContributionsPropertySchema["atomicEnergy"]) {
|
|
89
|
+
this.setProp("atomicEnergy", value);
|
|
90
|
+
},
|
|
55
91
|
get eigenvalues() {
|
|
56
92
|
return this.prop<TotalEnergyContributionsPropertySchema["eigenvalues"]>("eigenvalues");
|
|
57
93
|
},
|
|
94
|
+
set eigenvalues(value: TotalEnergyContributionsPropertySchema["eigenvalues"]) {
|
|
95
|
+
this.setProp("eigenvalues", value);
|
|
96
|
+
},
|
|
58
97
|
get PAWDoubleCounting2() {
|
|
59
98
|
return this.prop<TotalEnergyContributionsPropertySchema["PAWDoubleCounting2"]>(
|
|
60
99
|
"PAWDoubleCounting2",
|
|
61
100
|
);
|
|
62
101
|
},
|
|
102
|
+
set PAWDoubleCounting2(
|
|
103
|
+
value: TotalEnergyContributionsPropertySchema["PAWDoubleCounting2"],
|
|
104
|
+
) {
|
|
105
|
+
this.setProp("PAWDoubleCounting2", value);
|
|
106
|
+
},
|
|
63
107
|
get PAWDoubleCounting3() {
|
|
64
108
|
return this.prop<TotalEnergyContributionsPropertySchema["PAWDoubleCounting3"]>(
|
|
65
109
|
"PAWDoubleCounting3",
|
|
66
110
|
);
|
|
67
111
|
},
|
|
112
|
+
set PAWDoubleCounting3(
|
|
113
|
+
value: TotalEnergyContributionsPropertySchema["PAWDoubleCounting3"],
|
|
114
|
+
) {
|
|
115
|
+
this.setProp("PAWDoubleCounting3", value);
|
|
116
|
+
},
|
|
68
117
|
get hartreeFock() {
|
|
69
118
|
return this.prop<TotalEnergyContributionsPropertySchema["hartreeFock"]>("hartreeFock");
|
|
70
119
|
},
|
|
120
|
+
set hartreeFock(value: TotalEnergyContributionsPropertySchema["hartreeFock"]) {
|
|
121
|
+
this.setProp("hartreeFock", value);
|
|
122
|
+
},
|
|
71
123
|
get name() {
|
|
72
124
|
return this.requiredProp<TotalEnergyContributionsPropertySchema["name"]>("name");
|
|
73
125
|
},
|
|
126
|
+
set name(value: TotalEnergyContributionsPropertySchema["name"]) {
|
|
127
|
+
this.setProp("name", value);
|
|
128
|
+
},
|
|
74
129
|
get units() {
|
|
75
130
|
return this.prop<TotalEnergyContributionsPropertySchema["units"]>("units");
|
|
76
131
|
},
|
|
132
|
+
set units(value: TotalEnergyContributionsPropertySchema["units"]) {
|
|
133
|
+
this.setProp("units", value);
|
|
134
|
+
},
|
|
77
135
|
};
|
|
78
136
|
|
|
79
137
|
Object.defineProperties(item, Object.getOwnPropertyDescriptors(properties));
|
|
@@ -8,18 +8,29 @@ export type TotalEnergyPropertySchemaMixin = Omit<
|
|
|
8
8
|
|
|
9
9
|
export type TotalEnergyPropertyInMemoryEntity = InMemoryEntity & TotalEnergyPropertySchemaMixin;
|
|
10
10
|
|
|
11
|
-
export function totalEnergyPropertySchemaMixin
|
|
11
|
+
export function totalEnergyPropertySchemaMixin<T extends InMemoryEntity>(
|
|
12
|
+
item: InMemoryEntity,
|
|
13
|
+
): asserts item is T & TotalEnergyPropertySchemaMixin {
|
|
12
14
|
// @ts-expect-error
|
|
13
15
|
const properties: InMemoryEntity & TotalEnergyPropertySchemaMixin = {
|
|
14
16
|
get name() {
|
|
15
17
|
return this.requiredProp<TotalEnergyPropertySchema["name"]>("name");
|
|
16
18
|
},
|
|
19
|
+
set name(value: TotalEnergyPropertySchema["name"]) {
|
|
20
|
+
this.setProp("name", value);
|
|
21
|
+
},
|
|
17
22
|
get units() {
|
|
18
23
|
return this.requiredProp<TotalEnergyPropertySchema["units"]>("units");
|
|
19
24
|
},
|
|
25
|
+
set units(value: TotalEnergyPropertySchema["units"]) {
|
|
26
|
+
this.setProp("units", value);
|
|
27
|
+
},
|
|
20
28
|
get value() {
|
|
21
29
|
return this.requiredProp<TotalEnergyPropertySchema["value"]>("value");
|
|
22
30
|
},
|
|
31
|
+
set value(value: TotalEnergyPropertySchema["value"]) {
|
|
32
|
+
this.setProp("value", value);
|
|
33
|
+
},
|
|
23
34
|
};
|
|
24
35
|
|
|
25
36
|
Object.defineProperties(item, Object.getOwnPropertyDescriptors(properties));
|
|
@@ -8,18 +8,29 @@ export type TotalForcePropertySchemaMixin = Omit<
|
|
|
8
8
|
|
|
9
9
|
export type TotalForcePropertyInMemoryEntity = InMemoryEntity & TotalForcePropertySchemaMixin;
|
|
10
10
|
|
|
11
|
-
export function totalForcePropertySchemaMixin
|
|
11
|
+
export function totalForcePropertySchemaMixin<T extends InMemoryEntity>(
|
|
12
|
+
item: InMemoryEntity,
|
|
13
|
+
): asserts item is T & TotalForcePropertySchemaMixin {
|
|
12
14
|
// @ts-expect-error
|
|
13
15
|
const properties: InMemoryEntity & TotalForcePropertySchemaMixin = {
|
|
14
16
|
get name() {
|
|
15
17
|
return this.requiredProp<TotalForcesPropertySchema["name"]>("name");
|
|
16
18
|
},
|
|
19
|
+
set name(value: TotalForcesPropertySchema["name"]) {
|
|
20
|
+
this.setProp("name", value);
|
|
21
|
+
},
|
|
17
22
|
get units() {
|
|
18
23
|
return this.requiredProp<TotalForcesPropertySchema["units"]>("units");
|
|
19
24
|
},
|
|
25
|
+
set units(value: TotalForcesPropertySchema["units"]) {
|
|
26
|
+
this.setProp("units", value);
|
|
27
|
+
},
|
|
20
28
|
get value() {
|
|
21
29
|
return this.requiredProp<TotalForcesPropertySchema["value"]>("value");
|
|
22
30
|
},
|
|
31
|
+
set value(value: TotalForcesPropertySchema["value"]) {
|
|
32
|
+
this.setProp("value", value);
|
|
33
|
+
},
|
|
23
34
|
};
|
|
24
35
|
|
|
25
36
|
Object.defineProperties(item, Object.getOwnPropertyDescriptors(properties));
|
|
@@ -9,18 +9,29 @@ export type ValenceBandOffsetPropertySchemaMixin = Omit<
|
|
|
9
9
|
export type ValenceBandOffsetPropertyInMemoryEntity = InMemoryEntity &
|
|
10
10
|
ValenceBandOffsetPropertySchemaMixin;
|
|
11
11
|
|
|
12
|
-
export function valenceBandOffsetPropertySchemaMixin
|
|
12
|
+
export function valenceBandOffsetPropertySchemaMixin<T extends InMemoryEntity>(
|
|
13
|
+
item: InMemoryEntity,
|
|
14
|
+
): asserts item is T & ValenceBandOffsetPropertySchemaMixin {
|
|
13
15
|
// @ts-expect-error
|
|
14
16
|
const properties: InMemoryEntity & ValenceBandOffsetPropertySchemaMixin = {
|
|
15
17
|
get name() {
|
|
16
18
|
return this.requiredProp<ValenceBandOffsetPropertySchema["name"]>("name");
|
|
17
19
|
},
|
|
20
|
+
set name(value: ValenceBandOffsetPropertySchema["name"]) {
|
|
21
|
+
this.setProp("name", value);
|
|
22
|
+
},
|
|
18
23
|
get units() {
|
|
19
24
|
return this.requiredProp<ValenceBandOffsetPropertySchema["units"]>("units");
|
|
20
25
|
},
|
|
26
|
+
set units(value: ValenceBandOffsetPropertySchema["units"]) {
|
|
27
|
+
this.setProp("units", value);
|
|
28
|
+
},
|
|
21
29
|
get value() {
|
|
22
30
|
return this.requiredProp<ValenceBandOffsetPropertySchema["value"]>("value");
|
|
23
31
|
},
|
|
32
|
+
set value(value: ValenceBandOffsetPropertySchema["value"]) {
|
|
33
|
+
this.setProp("value", value);
|
|
34
|
+
},
|
|
24
35
|
};
|
|
25
36
|
|
|
26
37
|
Object.defineProperties(item, Object.getOwnPropertyDescriptors(properties));
|
|
@@ -9,28 +9,45 @@ export type WavefunctionAmplitudePropertySchemaMixin = Omit<
|
|
|
9
9
|
export type WavefunctionAmplitudePropertyInMemoryEntity = InMemoryEntity &
|
|
10
10
|
WavefunctionAmplitudePropertySchemaMixin;
|
|
11
11
|
|
|
12
|
-
export function wavefunctionAmplitudePropertySchemaMixin
|
|
12
|
+
export function wavefunctionAmplitudePropertySchemaMixin<T extends InMemoryEntity>(
|
|
13
|
+
item: InMemoryEntity,
|
|
14
|
+
): asserts item is T & WavefunctionAmplitudePropertySchemaMixin {
|
|
13
15
|
// @ts-expect-error
|
|
14
16
|
const properties: InMemoryEntity & WavefunctionAmplitudePropertySchemaMixin = {
|
|
15
17
|
get xAxis() {
|
|
16
18
|
return this.requiredProp<WavefunctionAmplitudePropertySchema["xAxis"]>("xAxis");
|
|
17
19
|
},
|
|
20
|
+
set xAxis(value: WavefunctionAmplitudePropertySchema["xAxis"]) {
|
|
21
|
+
this.setProp("xAxis", value);
|
|
22
|
+
},
|
|
18
23
|
get yAxis() {
|
|
19
24
|
return this.requiredProp<WavefunctionAmplitudePropertySchema["yAxis"]>("yAxis");
|
|
20
25
|
},
|
|
26
|
+
set yAxis(value: WavefunctionAmplitudePropertySchema["yAxis"]) {
|
|
27
|
+
this.setProp("yAxis", value);
|
|
28
|
+
},
|
|
21
29
|
get name() {
|
|
22
30
|
return this.requiredProp<WavefunctionAmplitudePropertySchema["name"]>("name");
|
|
23
31
|
},
|
|
32
|
+
set name(value: WavefunctionAmplitudePropertySchema["name"]) {
|
|
33
|
+
this.setProp("name", value);
|
|
34
|
+
},
|
|
24
35
|
get xDataArray() {
|
|
25
36
|
return this.requiredProp<WavefunctionAmplitudePropertySchema["xDataArray"]>(
|
|
26
37
|
"xDataArray",
|
|
27
38
|
);
|
|
28
39
|
},
|
|
40
|
+
set xDataArray(value: WavefunctionAmplitudePropertySchema["xDataArray"]) {
|
|
41
|
+
this.setProp("xDataArray", value);
|
|
42
|
+
},
|
|
29
43
|
get yDataSeries() {
|
|
30
44
|
return this.requiredProp<WavefunctionAmplitudePropertySchema["yDataSeries"]>(
|
|
31
45
|
"yDataSeries",
|
|
32
46
|
);
|
|
33
47
|
},
|
|
48
|
+
set yDataSeries(value: WavefunctionAmplitudePropertySchema["yDataSeries"]) {
|
|
49
|
+
this.setProp("yDataSeries", value);
|
|
50
|
+
},
|
|
34
51
|
};
|
|
35
52
|
|
|
36
53
|
Object.defineProperties(item, Object.getOwnPropertyDescriptors(properties));
|