@mat3ra/prode 2026.3.30-0 → 2026.6.5-0

package/dist/js/generated/StressTensorPropertySchemaMixin.js

@@ -7,12 +7,21 @@ function stressTensorPropertySchemaMixin(item) {
         get value() {
             return this.requiredProp("value");
         },
+        set value(value) {
+            this.setProp("value", value);
+        },
         get name() {
             return this.requiredProp("name");
         },
+        set name(value) {
+            this.setProp("name", value);
+        },
         get units() {
             return this.requiredProp("units");
         },
+        set units(value) {
+            this.setProp("units", value);
+        },
     };
     Object.defineProperties(item, Object.getOwnPropertyDescriptors(properties));
 }

package/dist/js/generated/SurfaceEnergyPropertySchemaMixin.d.ts

@@ -2,4 +2,4 @@ import type { InMemoryEntity } from "@mat3ra/code/dist/js/entity";
 import type { SurfaceEnergyPropertySchema } from "@mat3ra/esse/dist/js/types";
 export type SurfaceEnergyPropertySchemaMixin = Omit<SurfaceEnergyPropertySchema, "_id" | "slug" | "systemName" | "schemaVersion">;
 export type SurfaceEnergyPropertyInMemoryEntity = InMemoryEntity & SurfaceEnergyPropertySchemaMixin;
-export declare function surfaceEnergyPropertySchemaMixin(item: InMemoryEntity): void;
+export declare function surfaceEnergyPropertySchemaMixin<T extends InMemoryEntity>(item: InMemoryEntity): asserts item is T & SurfaceEnergyPropertySchemaMixin;

package/dist/js/generated/SurfaceEnergyPropertySchemaMixin.js

@@ -7,12 +7,21 @@ function surfaceEnergyPropertySchemaMixin(item) {
         get name() {
             return this.requiredProp("name");
         },
+        set name(value) {
+            this.setProp("name", value);
+        },
         get units() {
             return this.requiredProp("units");
         },
+        set units(value) {
+            this.setProp("units", value);
+        },
         get value() {
             return this.requiredProp("value");
         },
+        set value(value) {
+            this.setProp("value", value);
+        },
     };
     Object.defineProperties(item, Object.getOwnPropertyDescriptors(properties));
 }

package/dist/js/generated/ThermalCorrectionToEnergyPropertySchemaMixin.d.ts

@@ -2,4 +2,4 @@ import type { InMemoryEntity } from "@mat3ra/code/dist/js/entity";
 import type { ThermalCorrectionToEnergyPropertySchema } from "@mat3ra/esse/dist/js/types";
 export type ThermalCorrectionToEnergyPropertySchemaMixin = Omit<ThermalCorrectionToEnergyPropertySchema, "_id" | "slug" | "systemName" | "schemaVersion">;
 export type ThermalCorrectionToEnergyPropertyInMemoryEntity = InMemoryEntity & ThermalCorrectionToEnergyPropertySchemaMixin;
-export declare function thermalCorrectionToEnergyPropertySchemaMixin(item: InMemoryEntity): void;
+export declare function thermalCorrectionToEnergyPropertySchemaMixin<T extends InMemoryEntity>(item: InMemoryEntity): asserts item is T & ThermalCorrectionToEnergyPropertySchemaMixin;

package/dist/js/generated/ThermalCorrectionToEnergyPropertySchemaMixin.js

@@ -7,12 +7,21 @@ function thermalCorrectionToEnergyPropertySchemaMixin(item) {
         get name() {
             return this.requiredProp("name");
         },
+        set name(value) {
+            this.setProp("name", value);
+        },
         get units() {
             return this.requiredProp("units");
         },
+        set units(value) {
+            this.setProp("units", value);
+        },
         get value() {
             return this.requiredProp("value");
         },
+        set value(value) {
+            this.setProp("value", value);
+        },
     };
     Object.defineProperties(item, Object.getOwnPropertyDescriptors(properties));
 }

package/dist/js/generated/ThermalCorrectionToEnthalpyPropertySchemaMixin.d.ts

@@ -2,4 +2,4 @@ import type { InMemoryEntity } from "@mat3ra/code/dist/js/entity";
 import type { ThermalCorrectionToEnthalpyPropertySchema } from "@mat3ra/esse/dist/js/types";
 export type ThermalCorrectionToEnthalpyPropertySchemaMixin = Omit<ThermalCorrectionToEnthalpyPropertySchema, "_id" | "slug" | "systemName" | "schemaVersion">;
 export type ThermalCorrectionToEnthalpyPropertyInMemoryEntity = InMemoryEntity & ThermalCorrectionToEnthalpyPropertySchemaMixin;
-export declare function thermalCorrectionToEnthalpyPropertySchemaMixin(item: InMemoryEntity): void;
+export declare function thermalCorrectionToEnthalpyPropertySchemaMixin<T extends InMemoryEntity>(item: InMemoryEntity): asserts item is T & ThermalCorrectionToEnthalpyPropertySchemaMixin;

package/dist/js/generated/ThermalCorrectionToEnthalpyPropertySchemaMixin.js

@@ -7,12 +7,21 @@ function thermalCorrectionToEnthalpyPropertySchemaMixin(item) {
         get name() {
             return this.requiredProp("name");
         },
+        set name(value) {
+            this.setProp("name", value);
+        },
         get units() {
             return this.requiredProp("units");
         },
+        set units(value) {
+            this.setProp("units", value);
+        },
         get value() {
             return this.requiredProp("value");
         },
+        set value(value) {
+            this.setProp("value", value);
+        },
     };
     Object.defineProperties(item, Object.getOwnPropertyDescriptors(properties));
 }

package/dist/js/generated/TotalEnergyContributionsPropertySchemaMixin.d.ts

@@ -2,4 +2,4 @@ import type { InMemoryEntity } from "@mat3ra/code/dist/js/entity";
 import type { TotalEnergyContributionsPropertySchema } from "@mat3ra/esse/dist/js/types";
 export type TotalEnergyContributionsPropertySchemaMixin = Omit<TotalEnergyContributionsPropertySchema, "_id" | "slug" | "systemName" | "schemaVersion">;
 export type TotalEnergyContributionsPropertyInMemoryEntity = InMemoryEntity & TotalEnergyContributionsPropertySchemaMixin;
-export declare function totalEnergyContributionsPropertySchemaMixin(item: InMemoryEntity): void;
+export declare function totalEnergyContributionsPropertySchemaMixin<T extends InMemoryEntity>(item: InMemoryEntity): asserts item is T & TotalEnergyContributionsPropertySchemaMixin;

package/dist/js/generated/TotalEnergyContributionsPropertySchemaMixin.js

@@ -7,51 +7,99 @@ function totalEnergyContributionsPropertySchemaMixin(item) {
         get temperatureEntropy() {
             return this.prop("temperatureEntropy");
         },
+        set temperatureEntropy(value) {
+            this.setProp("temperatureEntropy", value);
+        },
         get harris_foulkes() {
             return this.prop("harris_foulkes");
         },
+        set harris_foulkes(value) {
+            this.setProp("harris_foulkes", value);
+        },
         get smearing() {
             return this.prop("smearing");
         },
+        set smearing(value) {
+            this.setProp("smearing", value);
+        },
         get one_electron() {
             return this.prop("one_electron");
         },
+        set one_electron(value) {
+            this.setProp("one_electron", value);
+        },
         get hartree() {
             return this.prop("hartree");
         },
+        set hartree(value) {
+            this.setProp("hartree", value);
+        },
         get exchange() {
             return this.prop("exchange");
         },
+        set exchange(value) {
+            this.setProp("exchange", value);
+        },
         get exchange_correlation() {
             return this.prop("exchange_correlation");
         },
+        set exchange_correlation(value) {
+            this.setProp("exchange_correlation", value);
+        },
         get ewald() {
             return this.prop("ewald");
         },
+        set ewald(value) {
+            this.setProp("ewald", value);
+        },
         get alphaZ() {
             return this.prop("alphaZ");
         },
+        set alphaZ(value) {
+            this.setProp("alphaZ", value);
+        },
         get atomicEnergy() {
             return this.prop("atomicEnergy");
         },
+        set atomicEnergy(value) {
+            this.setProp("atomicEnergy", value);
+        },
         get eigenvalues() {
             return this.prop("eigenvalues");
         },
+        set eigenvalues(value) {
+            this.setProp("eigenvalues", value);
+        },
         get PAWDoubleCounting2() {
             return this.prop("PAWDoubleCounting2");
         },
+        set PAWDoubleCounting2(value) {
+            this.setProp("PAWDoubleCounting2", value);
+        },
         get PAWDoubleCounting3() {
             return this.prop("PAWDoubleCounting3");
         },
+        set PAWDoubleCounting3(value) {
+            this.setProp("PAWDoubleCounting3", value);
+        },
         get hartreeFock() {
             return this.prop("hartreeFock");
         },
+        set hartreeFock(value) {
+            this.setProp("hartreeFock", value);
+        },
         get name() {
             return this.requiredProp("name");
         },
+        set name(value) {
+            this.setProp("name", value);
+        },
         get units() {
             return this.prop("units");
         },
+        set units(value) {
+            this.setProp("units", value);
+        },
     };
     Object.defineProperties(item, Object.getOwnPropertyDescriptors(properties));
 }

package/dist/js/generated/TotalEnergyPropertySchemaMixin.d.ts

@@ -2,4 +2,4 @@ import type { InMemoryEntity } from "@mat3ra/code/dist/js/entity";
 import type { TotalEnergyPropertySchema } from "@mat3ra/esse/dist/js/types";
 export type TotalEnergyPropertySchemaMixin = Omit<TotalEnergyPropertySchema, "_id" | "slug" | "systemName" | "schemaVersion">;
 export type TotalEnergyPropertyInMemoryEntity = InMemoryEntity & TotalEnergyPropertySchemaMixin;
-export declare function totalEnergyPropertySchemaMixin(item: InMemoryEntity): void;
+export declare function totalEnergyPropertySchemaMixin<T extends InMemoryEntity>(item: InMemoryEntity): asserts item is T & TotalEnergyPropertySchemaMixin;

package/dist/js/generated/TotalEnergyPropertySchemaMixin.js

@@ -7,12 +7,21 @@ function totalEnergyPropertySchemaMixin(item) {
         get name() {
             return this.requiredProp("name");
         },
+        set name(value) {
+            this.setProp("name", value);
+        },
         get units() {
             return this.requiredProp("units");
         },
+        set units(value) {
+            this.setProp("units", value);
+        },
         get value() {
             return this.requiredProp("value");
         },
+        set value(value) {
+            this.setProp("value", value);
+        },
     };
     Object.defineProperties(item, Object.getOwnPropertyDescriptors(properties));
 }

package/dist/js/generated/TotalForcePropertySchemaMixin.d.ts

@@ -2,4 +2,4 @@ import type { InMemoryEntity } from "@mat3ra/code/dist/js/entity";
 import type { TotalForcesPropertySchema } from "@mat3ra/esse/dist/js/types";
 export type TotalForcePropertySchemaMixin = Omit<TotalForcesPropertySchema, "_id" | "slug" | "systemName" | "schemaVersion">;
 export type TotalForcePropertyInMemoryEntity = InMemoryEntity & TotalForcePropertySchemaMixin;
-export declare function totalForcePropertySchemaMixin(item: InMemoryEntity): void;
+export declare function totalForcePropertySchemaMixin<T extends InMemoryEntity>(item: InMemoryEntity): asserts item is T & TotalForcePropertySchemaMixin;

package/dist/js/generated/TotalForcePropertySchemaMixin.js

@@ -7,12 +7,21 @@ function totalForcePropertySchemaMixin(item) {
         get name() {
             return this.requiredProp("name");
         },
+        set name(value) {
+            this.setProp("name", value);
+        },
         get units() {
             return this.requiredProp("units");
         },
+        set units(value) {
+            this.setProp("units", value);
+        },
         get value() {
             return this.requiredProp("value");
         },
+        set value(value) {
+            this.setProp("value", value);
+        },
     };
     Object.defineProperties(item, Object.getOwnPropertyDescriptors(properties));
 }

package/dist/js/generated/ValenceBandOffsetPropertySchemaMixin.d.ts

@@ -2,4 +2,4 @@ import type { InMemoryEntity } from "@mat3ra/code/dist/js/entity";
 import type { ValenceBandOffsetPropertySchema } from "@mat3ra/esse/dist/js/types";
 export type ValenceBandOffsetPropertySchemaMixin = Omit<ValenceBandOffsetPropertySchema, "_id" | "slug" | "systemName" | "schemaVersion">;
 export type ValenceBandOffsetPropertyInMemoryEntity = InMemoryEntity & ValenceBandOffsetPropertySchemaMixin;
-export declare function valenceBandOffsetPropertySchemaMixin(item: InMemoryEntity): void;
+export declare function valenceBandOffsetPropertySchemaMixin<T extends InMemoryEntity>(item: InMemoryEntity): asserts item is T & ValenceBandOffsetPropertySchemaMixin;

package/dist/js/generated/ValenceBandOffsetPropertySchemaMixin.js

@@ -7,12 +7,21 @@ function valenceBandOffsetPropertySchemaMixin(item) {
         get name() {
             return this.requiredProp("name");
         },
+        set name(value) {
+            this.setProp("name", value);
+        },
         get units() {
             return this.requiredProp("units");
         },
+        set units(value) {
+            this.setProp("units", value);
+        },
         get value() {
             return this.requiredProp("value");
         },
+        set value(value) {
+            this.setProp("value", value);
+        },
     };
     Object.defineProperties(item, Object.getOwnPropertyDescriptors(properties));
 }

package/dist/js/generated/WavefunctionAmplitudePropertySchemaMixin.d.ts

@@ -2,4 +2,4 @@ import type { InMemoryEntity } from "@mat3ra/code/dist/js/entity";
 import type { WavefunctionAmplitudePropertySchema } from "@mat3ra/esse/dist/js/types";
 export type WavefunctionAmplitudePropertySchemaMixin = Omit<WavefunctionAmplitudePropertySchema, "_id" | "slug" | "systemName" | "schemaVersion">;
 export type WavefunctionAmplitudePropertyInMemoryEntity = InMemoryEntity & WavefunctionAmplitudePropertySchemaMixin;
-export declare function wavefunctionAmplitudePropertySchemaMixin(item: InMemoryEntity): void;
+export declare function wavefunctionAmplitudePropertySchemaMixin<T extends InMemoryEntity>(item: InMemoryEntity): asserts item is T & WavefunctionAmplitudePropertySchemaMixin;

package/dist/js/generated/WavefunctionAmplitudePropertySchemaMixin.js

@@ -7,18 +7,33 @@ function wavefunctionAmplitudePropertySchemaMixin(item) {
         get xAxis() {
             return this.requiredProp("xAxis");
         },
+        set xAxis(value) {
+            this.setProp("xAxis", value);
+        },
         get yAxis() {
             return this.requiredProp("yAxis");
         },
+        set yAxis(value) {
+            this.setProp("yAxis", value);
+        },
         get name() {
             return this.requiredProp("name");
         },
+        set name(value) {
+            this.setProp("name", value);
+        },
         get xDataArray() {
             return this.requiredProp("xDataArray");
         },
+        set xDataArray(value) {
+            this.setProp("xDataArray", value);
+        },
         get yDataSeries() {
             return this.requiredProp("yDataSeries");
         },
+        set yDataSeries(value) {
+            this.setProp("yDataSeries", value);
+        },
     };
     Object.defineProperties(item, Object.getOwnPropertyDescriptors(properties));
 }

package/dist/js/generated/WorkflowPropertySchemaMixin.d.ts

@@ -2,4 +2,4 @@ import type { InMemoryEntity } from "@mat3ra/code/dist/js/entity";
 import type { WorkflowPropertySchema } from "@mat3ra/esse/dist/js/types";
 export type WorkflowPropertySchemaMixin = Omit<WorkflowPropertySchema, "_id" | "slug" | "systemName" | "schemaVersion">;
 export type WorkflowPropertyInMemoryEntity = InMemoryEntity & WorkflowPropertySchemaMixin;
-export declare function workflowPropertySchemaMixin(item: InMemoryEntity): void;
+export declare function workflowPropertySchemaMixin<T extends InMemoryEntity>(item: InMemoryEntity): asserts item is T & WorkflowPropertySchemaMixin;

package/dist/js/generated/WorkflowPropertySchemaMixin.js

@@ -7,35 +7,62 @@ function workflowPropertySchemaMixin(item) {
         get name() {
             return this.requiredProp("name");
         },
-        get subworkflows() {
-            return this.requiredProp("subworkflows");
+        set name(value) {
+            this.setProp("name", value);
         },
-        get units() {
-            return this.requiredProp("units");
+        get workflows() {
+            return this.requiredProp("workflows");
+        },
+        set workflows(value) {
+            this.setProp("workflows", value);
+        },
+        get metadata() {
+            return this.prop("metadata");
+        },
+        set metadata(value) {
+            this.setProp("metadata", value);
         },
         get properties() {
-            return this.prop("properties");
+            return this.requiredProp("properties");
+        },
+        set properties(value) {
+            this.setProp("properties", value);
         },
         get isUsingDataset() {
             return this.prop("isUsingDataset");
         },
+        set isUsingDataset(value) {
+            this.setProp("isUsingDataset", value);
+        },
         get isMultiMaterial() {
             return this.prop("isMultiMaterial");
         },
-        get workflows() {
-            return this.prop("workflows");
+        set isMultiMaterial(value) {
+            this.setProp("isMultiMaterial", value);
+        },
+        get subworkflows() {
+            return this.requiredProp("subworkflows");
+        },
+        set subworkflows(value) {
+            this.setProp("subworkflows", value);
+        },
+        get units() {
+            return this.requiredProp("units");
+        },
+        set units(value) {
+            this.setProp("units", value);
         },
         get application() {
             return this.prop("application");
         },
+        set application(value) {
+            this.setProp("application", value);
+        },
         get tags() {
             return this.prop("tags");
         },
-        get isDefault() {
-            return this.prop("isDefault");
-        },
-        get metadata() {
-            return this.prop("metadata");
+        set tags(value) {
+            this.setProp("tags", value);
         },
     };
     Object.defineProperties(item, Object.getOwnPropertyDescriptors(properties));

package/dist/js/generated/ZeroPointEnergyPropertySchemaMixin.d.ts

@@ -2,4 +2,4 @@ import type { InMemoryEntity } from "@mat3ra/code/dist/js/entity";
 import type { ZeroPointEnergyPropertySchema } from "@mat3ra/esse/dist/js/types";
 export type ZeroPointEnergyPropertySchemaMixin = Omit<ZeroPointEnergyPropertySchema, "_id" | "slug" | "systemName" | "schemaVersion">;
 export type ZeroPointEnergyPropertyInMemoryEntity = InMemoryEntity & ZeroPointEnergyPropertySchemaMixin;
-export declare function zeroPointEnergyPropertySchemaMixin(item: InMemoryEntity): void;
+export declare function zeroPointEnergyPropertySchemaMixin<T extends InMemoryEntity>(item: InMemoryEntity): asserts item is T & ZeroPointEnergyPropertySchemaMixin;

package/dist/js/generated/ZeroPointEnergyPropertySchemaMixin.js

@@ -7,12 +7,21 @@ function zeroPointEnergyPropertySchemaMixin(item) {
         get name() {
             return this.requiredProp("name");
         },
+        set name(value) {
+            this.setProp("name", value);
+        },
         get units() {
             return this.requiredProp("units");
         },
+        set units(value) {
+            this.setProp("units", value);
+        },
         get value() {
             return this.requiredProp("value");
         },
+        set value(value) {
+            this.setProp("value", value);
+        },
     };
     Object.defineProperties(item, Object.getOwnPropertyDescriptors(properties));
 }

package/dist/js/holders/MetaPropertyHolder.d.ts

@@ -1,10 +1,9 @@
 import { InMemoryEntity } from "@mat3ra/code/dist/js/entity";
-import type { Constructor } from "@mat3ra/code/dist/js/utils/types";
 import type { MetaPropertyHolderSchema } from "@mat3ra/esse/dist/js/types";
 import { type MetaPropertyHolderMixin } from "./mixins/MetaPropertyHolderMixin";
-type MetaPropertyBase = typeof InMemoryEntity & Constructor<MetaPropertyHolderMixin>;
-declare const MetaPropertyHolder_base: MetaPropertyBase;
-export default class MetaPropertyHolder extends MetaPropertyHolder_base {
+interface MetaPropertyHolder extends MetaPropertyHolderMixin {
+}
+declare class MetaPropertyHolder extends InMemoryEntity {
     constructor(data: MetaPropertyHolderSchema);
 }
-export {};
+export default MetaPropertyHolder;

package/dist/js/holders/MetaPropertyHolder.js

@@ -8,5 +8,5 @@ class MetaPropertyHolder extends entity_1.InMemoryEntity {
         super(data);
     }
 }
-exports.default = MetaPropertyHolder;
 (0, MetaPropertyHolderMixin_1.metaPropertyHolderMixin)(MetaPropertyHolder.prototype);
+exports.default = MetaPropertyHolder;

package/dist/js/holders/PropertyHolder.d.ts

@@ -2,9 +2,10 @@ import { InMemoryEntity } from "@mat3ra/code/dist/js/entity";
 import type { Constructor } from "@mat3ra/code/dist/js/utils/types";
 import type { PropertyHolderSchema } from "@mat3ra/esse/dist/js/types";
 import type { PropertyHolderMixin } from "./mixins/PropertyHolderMixin";
-type PropertyHolderBase = typeof InMemoryEntity & Constructor<PropertyHolderMixin>;
-declare const PropertyHolder_base: PropertyHolderBase;
-export default class PropertyHolder extends PropertyHolder_base {
-    constructor(data: PropertyHolderSchema);
+type Schema = PropertyHolderSchema;
+type Base = typeof InMemoryEntity & Constructor<PropertyHolderMixin>;
+declare const PropertyHolder_base: Base;
+export default class PropertyHolder extends PropertyHolder_base implements Schema {
+    constructor(data: Schema);
 }
 export {};

package/dist/js/holders/mixins/MetaPropertyHolderMixin.d.ts

@@ -1,12 +1,12 @@
 import type { InMemoryEntity } from "@mat3ra/code/dist/js/entity";
 import type { AnyObject } from "@mat3ra/esse/dist/js/esse/types";
 import type { MetaPropertyHolderSchema } from "@mat3ra/esse/dist/js/types";
+import type { PseudopotentialMetaProperty } from "src/js";
 import { type MetaPropertyHolderSchemaMixin } from "../../generated/MetaPropertyHolderSchemaMixin";
-import type MetaProperty from "../../MetaProperty";
 export interface MetaPropertySchemaJSON extends MetaPropertyHolderSchema, AnyObject {
 }
 export type MetaPropertyHolderMixin = {
-    property: MetaProperty;
+    property: PseudopotentialMetaProperty;
 } & MetaPropertyHolderSchemaMixin;
 export type MetaPropertyInMemoryEntity = InMemoryEntity & MetaPropertyHolderMixin;
 export declare function metaPropertyHolderMixin(item: InMemoryEntity): void;

package/dist/js/holders/mixins/MetaPropertyHolderMixin.js

@@ -7,7 +7,6 @@ exports.metaPropertyHolderMixin = metaPropertyHolderMixin;
 const MetaPropertyHolderSchemaMixin_1 = require("../../generated/MetaPropertyHolderSchemaMixin");
 const PropertyFactory_1 = __importDefault(require("../../PropertyFactory"));
 function metaPropertyHolderMixin(item) {
-    // @ts-expect-error - this is a workaround to allow the metaPropertyMixin to be used with any type of entity
     const properties = {
         get property() {
             return PropertyFactory_1.default.createMetaProperty(this.data);

package/dist/js/index.d.ts

@@ -8,6 +8,7 @@ export { default as BandGapsProperty } from "./properties/non-scalar/BandGapsPro
 export { default as IsRelaxedProperty } from "./properties/non-scalar/IsRelaxedProperty";
 export { default as PressureProperty } from "./properties/scalar/PressureProperty";
 export { default as ReactionEnergyBarrierProperty } from "./properties/scalar/ReactionEnergyBarrierProperty";
+export { default as FormationEnergyProperty } from "./properties/scalar/FormationEnergyProperty";
 export { default as SurfaceEnergyProperty } from "./properties/scalar/SurfaceEnergyProperty";
 export { default as TotalEnergyProperty } from "./properties/scalar/TotalEnergyProperty";
 export { default as HOMOEnergyProperty } from "./properties/scalar/HOMOEnergyProperty";
@@ -22,4 +23,7 @@ export { default as ReactionEnergyProfileProperty } from "./properties/non-scala
 export { protoPropertyHolderMixin } from "./holders/mixins/ProtoPropertyHolderMixin";
 export { propertyHolderMixin } from "./holders/mixins/PropertyHolderMixin";
 export { metaPropertyHolderMixin } from "./holders/mixins/MetaPropertyHolderMixin";
+export { default as PropertyHolder } from "./holders/PropertyHolder";
+export { default as MetaPropertyHolder } from "./holders/MetaPropertyHolder";
+export { default as ProtoPropertyHolder } from "./holders/ProtoPropertyHolder";
 export * from "./types";

package/dist/js/index.js

@@ -17,7 +17,7 @@ var __importDefault = (this && this.__importDefault) || function (mod) {
     return (mod && mod.__esModule) ? mod : { "default": mod };
 };
 Object.defineProperty(exports, "__esModule", { value: true });
-exports.metaPropertyHolderMixin = exports.propertyHolderMixin = exports.protoPropertyHolderMixin = exports.ReactionEnergyProfileProperty = exports.WavefunctionAmplitudeProperty = exports.PotentialProfileProperty = exports.ChargeDensityProfileProperty = exports.BandStructureProperty = exports.ThermalCorrectionToEnthalpyProperty = exports.ThermalCorrectionToEnergyProperty = exports.LUMOEnergyProperty = exports.HOMOEnergyProperty = exports.TotalEnergyProperty = exports.SurfaceEnergyProperty = exports.ReactionEnergyBarrierProperty = exports.PressureProperty = exports.IsRelaxedProperty = exports.BandGapsProperty = exports.FinalStructureProperty = exports.PseudopotentialMetaProperty = exports.MetaProperty = exports.Property = exports.PropertyType = exports.PropertyName = exports.PropertyFactory = void 0;
+exports.ProtoPropertyHolder = exports.MetaPropertyHolder = exports.PropertyHolder = exports.metaPropertyHolderMixin = exports.propertyHolderMixin = exports.protoPropertyHolderMixin = exports.ReactionEnergyProfileProperty = exports.WavefunctionAmplitudeProperty = exports.PotentialProfileProperty = exports.ChargeDensityProfileProperty = exports.BandStructureProperty = exports.ThermalCorrectionToEnthalpyProperty = exports.ThermalCorrectionToEnergyProperty = exports.LUMOEnergyProperty = exports.HOMOEnergyProperty = exports.TotalEnergyProperty = exports.SurfaceEnergyProperty = exports.FormationEnergyProperty = exports.ReactionEnergyBarrierProperty = exports.PressureProperty = exports.IsRelaxedProperty = exports.BandGapsProperty = exports.FinalStructureProperty = exports.PseudopotentialMetaProperty = exports.MetaProperty = exports.Property = exports.PropertyType = exports.PropertyName = exports.PropertyFactory = void 0;
 var PropertyFactory_1 = require("./PropertyFactory");
 Object.defineProperty(exports, "PropertyFactory", { enumerable: true, get: function () { return __importDefault(PropertyFactory_1).default; } });
 var settings_1 = require("./settings");
@@ -39,6 +39,8 @@ var PressureProperty_1 = require("./properties/scalar/PressureProperty");
 Object.defineProperty(exports, "PressureProperty", { enumerable: true, get: function () { return __importDefault(PressureProperty_1).default; } });
 var ReactionEnergyBarrierProperty_1 = require("./properties/scalar/ReactionEnergyBarrierProperty");
 Object.defineProperty(exports, "ReactionEnergyBarrierProperty", { enumerable: true, get: function () { return __importDefault(ReactionEnergyBarrierProperty_1).default; } });
+var FormationEnergyProperty_1 = require("./properties/scalar/FormationEnergyProperty");
+Object.defineProperty(exports, "FormationEnergyProperty", { enumerable: true, get: function () { return __importDefault(FormationEnergyProperty_1).default; } });
 var SurfaceEnergyProperty_1 = require("./properties/scalar/SurfaceEnergyProperty");
 Object.defineProperty(exports, "SurfaceEnergyProperty", { enumerable: true, get: function () { return __importDefault(SurfaceEnergyProperty_1).default; } });
 var TotalEnergyProperty_1 = require("./properties/scalar/TotalEnergyProperty");
@@ -67,4 +69,10 @@ var PropertyHolderMixin_1 = require("./holders/mixins/PropertyHolderMixin");
 Object.defineProperty(exports, "propertyHolderMixin", { enumerable: true, get: function () { return PropertyHolderMixin_1.propertyHolderMixin; } });
 var MetaPropertyHolderMixin_1 = require("./holders/mixins/MetaPropertyHolderMixin");
 Object.defineProperty(exports, "metaPropertyHolderMixin", { enumerable: true, get: function () { return MetaPropertyHolderMixin_1.metaPropertyHolderMixin; } });
+var PropertyHolder_1 = require("./holders/PropertyHolder");
+Object.defineProperty(exports, "PropertyHolder", { enumerable: true, get: function () { return __importDefault(PropertyHolder_1).default; } });
+var MetaPropertyHolder_1 = require("./holders/MetaPropertyHolder");
+Object.defineProperty(exports, "MetaPropertyHolder", { enumerable: true, get: function () { return __importDefault(MetaPropertyHolder_1).default; } });
+var ProtoPropertyHolder_1 = require("./holders/ProtoPropertyHolder");
+Object.defineProperty(exports, "ProtoPropertyHolder", { enumerable: true, get: function () { return __importDefault(ProtoPropertyHolder_1).default; } });
 __exportStar(require("./types"), exports);

package/dist/js/meta_properties/PseudopotentialMetaProperty.d.ts

@@ -10,6 +10,17 @@ declare enum CompatibleExchangeCorrelationKey {
     hse06 = "hse06"
 }
 type Base = typeof MetaProperty & Constructor<PseudopotentialMetaPropertySchemaMixin>;
+export type ExchangeCorrelation = {
+    functional?: string;
+    approximation: string;
+};
+export type PseudopotentialFilter = {
+    searchText?: string;
+    appName?: string;
+    type?: string;
+    exchangeCorrelation?: ExchangeCorrelation;
+    elements?: string[];
+};
 declare const PseudopotentialMetaProperty_base: Base;
 export default class PseudopotentialMetaProperty extends PseudopotentialMetaProperty_base implements Schema {
     static readonly propertyName = PropertyName.pseudopotential;
@@ -32,10 +43,7 @@ export default class PseudopotentialMetaProperty extends PseudopotentialMetaProp
     /**
      * @summary Exclusive filter of raw data by all fields of the passed object
      */
-    static filterRawDataByExchangeCorrelation(rawData: PseudopotentialMetaProperty[], exchangeCorrelation: {
-        functional: string;
-        approximation: string;
-    }): PseudopotentialMetaProperty[];
+    static filterRawDataByExchangeCorrelation(rawData: PseudopotentialMetaProperty[], exchangeCorrelation: ExchangeCorrelation): PseudopotentialMetaProperty[];
     static filterUnique(array: PseudopotentialMetaProperty[]): PseudopotentialMetaProperty[];
     static filterUniqueByAppName(array: PseudopotentialMetaProperty[], appName: string): PseudopotentialMetaProperty[];
     static filterRawDataByPath(rawData: RawDataObject[], pseudoPath?: string): RawDataObject[];
@@ -54,16 +62,7 @@ export default class PseudopotentialMetaProperty extends PseudopotentialMetaProp
      *     elements: ["Si", "Ne", "Fe"],
      * }
      */
-    static applyPseudoFilters(pseudos: PseudopotentialMetaProperty[], pseudoFilter: {
-        searchText?: string;
-        appName?: string;
-        type?: string;
-        exchangeCorrelation?: {
-            functional: keyof typeof PseudopotentialMetaProperty.compatibleExchangeCorrelation;
-            approximation: string;
-        };
-        elements?: string[];
-    }): PseudopotentialMetaProperty[];
+    static applyPseudoFilters(pseudos: PseudopotentialMetaProperty[], pseudoFilter: PseudopotentialFilter): PseudopotentialMetaProperty[];
     /**
      * Sorts pseudos by the given pattern.
      * NOTE: This is currently used to prioritize gbrv pseudopotentials over norm-conserving ones for QE.
@@ -73,6 +72,7 @@ export default class PseudopotentialMetaProperty extends PseudopotentialMetaProp
      * Prioritizes pseudos with 'default' and '5.2' (version) in path (VASP)
      */
     static sortByPathVASP(pseudos: PseudopotentialMetaProperty[], version?: string): PseudopotentialMetaProperty[];
+    static sortByPathApplicationSpecific(pseudos: PseudopotentialMetaProperty[], appName?: string): PseudopotentialMetaProperty[];
     static filterByType(pseudos: PseudopotentialMetaProperty[], pseudoType?: string): PseudopotentialMetaProperty[];
 }
 export {};