feature/SOF-7916 FE contribs

dist/js/PropertyFactory.d.ts

@@ -1,5 +1,6 @@
 import type { MetaPropertyHolderSchema, PropertyHolderSchema, ProtoPropertyHolderSchema } from "@mat3ra/esse/dist/js/types";
 import type MetaProperty from "./MetaProperty";
+import FormationEnergyContributionsProperty from "./properties/array-of-objects/FormationEnergyContributionsProperty";
 import AveragePotentialProfileProperty from "./properties/non-scalar/AveragePotentialProfileProperty";
 import BandGapsProperty from "./properties/non-scalar/BandGapsProperty";
 import BandStructureProperty from "./properties/non-scalar/BandStructureProperty";
@@ -52,8 +53,9 @@ export default class PropertyFactory {
     static getMultipleResultsPropertyNames(): PropertyName[];
     static getScalarPropertyNames(): PropertyName[];
     static getNonScalarPropertyNames(): PropertyName[];
+    static getArrayOfObjectsPropertyNames(): PropertyName[];
     private static filterPropertyNames;
-    static createProperty(config: AnyProperty): AveragePotentialProfileProperty | BandGapsProperty | BandStructureProperty | ChargeDensityProfileProperty | ConvergenceElectronicProperty | ConvergenceIonicProperty | DensityOfStatesProperty | DielectricTensorProperty | FileContentProperty | FinalStructureProperty | HubbardUProperty | HubbardVNNProperty | HubbardVProperty | IsRelaxedProperty | JupyterNotebookEndpointProperty | PhononDispersionsProperty | PhononDOSProperty | PotentialProfileProperty | ReactionEnergyProfileProperty | WavefunctionAmplitudeProperty | WorkflowProperty | TotalEnergyContributionsProperty | FermiEnergyProperty | FormationEnergyProperty | HOMOEnergyProperty | IonizationPotentialElementalProperty | LUMOEnergyProperty | PressureProperty | ReactionEnergyBarrierProperty | SurfaceEnergyProperty | ThermalCorrectionToEnergyProperty | ThermalCorrectionToEnthalpyProperty | TotalEnergyProperty | TotalForcesProperty | ValenceBandOffsetProperty | ZeroPointEnergyProperty | AtomicForcesProperty | MagneticMomentsProperty | StressTensorProperty;
+    static createProperty(config: AnyProperty): FormationEnergyContributionsProperty | AveragePotentialProfileProperty | BandGapsProperty | BandStructureProperty | ChargeDensityProfileProperty | ConvergenceElectronicProperty | ConvergenceIonicProperty | DensityOfStatesProperty | DielectricTensorProperty | FileContentProperty | FinalStructureProperty | HubbardUProperty | HubbardVNNProperty | HubbardVProperty | IsRelaxedProperty | JupyterNotebookEndpointProperty | PhononDispersionsProperty | PhononDOSProperty | PotentialProfileProperty | ReactionEnergyProfileProperty | WavefunctionAmplitudeProperty | WorkflowProperty | TotalEnergyContributionsProperty | FermiEnergyProperty | FormationEnergyProperty | HOMOEnergyProperty | IonizationPotentialElementalProperty | LUMOEnergyProperty | PressureProperty | ReactionEnergyBarrierProperty | SurfaceEnergyProperty | ThermalCorrectionToEnergyProperty | ThermalCorrectionToEnthalpyProperty | TotalEnergyProperty | TotalForcesProperty | ValenceBandOffsetProperty | ZeroPointEnergyProperty | AtomicForcesProperty | MagneticMomentsProperty | StressTensorProperty;
     static createMetaProperty(config: AnyMetaProperty): MetaProperty;
     static createProtoProperty(config: AnyProtoProperty): AtomicConstraintsProperty | BoundaryConditionsProperty;
 }

dist/js/PropertyFactory.js

@@ -4,6 +4,7 @@ var __importDefault = (this && this.__importDefault) || function (mod) {
 };
 Object.defineProperty(exports, "__esModule", { value: true });
 const PseudopotentialMetaProperty_1 = __importDefault(require("./meta_properties/PseudopotentialMetaProperty"));
+const FormationEnergyContributionsProperty_1 = __importDefault(require("./properties/array-of-objects/FormationEnergyContributionsProperty"));
 const AveragePotentialProfileProperty_1 = __importDefault(require("./properties/non-scalar/AveragePotentialProfileProperty"));
 const BandGapsProperty_1 = __importDefault(require("./properties/non-scalar/BandGapsProperty"));
 const BandStructureProperty_1 = __importDefault(require("./properties/non-scalar/BandStructureProperty"));
@@ -61,6 +62,7 @@ const PROPERTY_CLASS_MAP = {
     [ThermalCorrectionToEnthalpyProperty_1.default.propertyName]: ThermalCorrectionToEnthalpyProperty_1.default,
     [ZeroPointEnergyProperty_1.default.propertyName]: ZeroPointEnergyProperty_1.default,
     [TotalEnergyContributionsProperty_1.default.propertyName]: TotalEnergyContributionsProperty_1.default,
+    [FormationEnergyContributionsProperty_1.default.propertyName]: FormationEnergyContributionsProperty_1.default,
     [AtomicForcesProperty_1.default.propertyName]: AtomicForcesProperty_1.default,
     [StressTensorProperty_1.default.propertyName]: StressTensorProperty_1.default,
     [DensityOfStatesProperty_1.default.propertyName]: DensityOfStatesProperty_1.default,
@@ -120,6 +122,11 @@ class PropertyFactory {
             return PropertyClass.propertyType === settings_1.PropertyType.non_scalar;
         });
     }
+    static getArrayOfObjectsPropertyNames() {
+        return this.filterPropertyNames((PropertyClass) => {
+            return (PropertyClass.propertyType === settings_1.PropertyType.array_of_objects);
+        });
+    }
     static filterPropertyNames(filterFn) {
         const properties = Object.values({
             ...PROPERTY_CLASS_MAP,

dist/js/generated/FormationEnergyContributionsPropertySchemaMixin.d.ts

@@ -0,0 +1,5 @@
+import type { InMemoryEntity } from "@mat3ra/code/dist/js/entity";
+import type { FormationEnergyContributionsPropertySchema } from "@mat3ra/esse/dist/js/types";
+export type FormationEnergyContributionsPropertySchemaMixin = Omit<FormationEnergyContributionsPropertySchema, "_id" | "slug" | "systemName" | "schemaVersion">;
+export type FormationEnergyContributionsPropertyInMemoryEntity = InMemoryEntity & FormationEnergyContributionsPropertySchemaMixin;
+export declare function formationEnergyContributionsPropertySchemaMixin<T extends InMemoryEntity>(item: InMemoryEntity): asserts item is T & FormationEnergyContributionsPropertySchemaMixin;

dist/js/generated/FormationEnergyContributionsPropertySchemaMixin.js

@@ -0,0 +1,21 @@
+"use strict";
+Object.defineProperty(exports, "__esModule", { value: true });
+exports.formationEnergyContributionsPropertySchemaMixin = formationEnergyContributionsPropertySchemaMixin;
+function formationEnergyContributionsPropertySchemaMixin(item) {
+    // @ts-expect-error
+    const properties = {
+        get name() {
+            return this.requiredProp("name");
+        },
+        set name(value) {
+            this.setProp("name", value);
+        },
+        get values() {
+            return this.requiredProp("values");
+        },
+        set values(value) {
+            this.setProp("values", value);
+        },
+    };
+    Object.defineProperties(item, Object.getOwnPropertyDescriptors(properties));
+}

dist/js/index.d.ts

@@ -3,6 +3,7 @@ export { PropertyName, PropertyType } from "./settings";
 export { default as Property } from "./Property";
 export { default as MetaProperty } from "./MetaProperty";
 export { default as PseudopotentialMetaProperty } from "./meta_properties/PseudopotentialMetaProperty";
+export { default as FormationEnergyContributionsProperty } from "./properties/array-of-objects/FormationEnergyContributionsProperty";
 export { default as FinalStructureProperty } from "./properties/non-scalar/FinalStructureProperty";
 export { default as BandGapsProperty } from "./properties/non-scalar/BandGapsProperty";
 export { default as IsRelaxedProperty } from "./properties/non-scalar/IsRelaxedProperty";

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.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;
+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.FormationEnergyContributionsProperty = 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");
@@ -29,6 +29,8 @@ var MetaProperty_1 = require("./MetaProperty");
 Object.defineProperty(exports, "MetaProperty", { enumerable: true, get: function () { return __importDefault(MetaProperty_1).default; } });
 var PseudopotentialMetaProperty_1 = require("./meta_properties/PseudopotentialMetaProperty");
 Object.defineProperty(exports, "PseudopotentialMetaProperty", { enumerable: true, get: function () { return __importDefault(PseudopotentialMetaProperty_1).default; } });
+var FormationEnergyContributionsProperty_1 = require("./properties/array-of-objects/FormationEnergyContributionsProperty");
+Object.defineProperty(exports, "FormationEnergyContributionsProperty", { enumerable: true, get: function () { return __importDefault(FormationEnergyContributionsProperty_1).default; } });
 var FinalStructureProperty_1 = require("./properties/non-scalar/FinalStructureProperty");
 Object.defineProperty(exports, "FinalStructureProperty", { enumerable: true, get: function () { return __importDefault(FinalStructureProperty_1).default; } });
 var BandGapsProperty_1 = require("./properties/non-scalar/BandGapsProperty");

dist/js/properties/array-of-objects/FormationEnergyContributionsProperty.d.ts

@@ -0,0 +1,14 @@
+import type { Constructor } from "@mat3ra/code/dist/js/utils/types";
+import type { FormationEnergyContributionsPropertySchema } from "@mat3ra/esse/dist/js/types";
+import { FormationEnergyContributionsPropertySchemaMixin } from "../../generated/FormationEnergyContributionsPropertySchemaMixin";
+import Property from "../../Property";
+import { PropertyName, PropertyType } from "../../settings";
+type Schema = FormationEnergyContributionsPropertySchema;
+type Base = typeof Property<Schema> & Constructor<FormationEnergyContributionsPropertySchemaMixin>;
+declare const PropertyBase: Base;
+export default class FormationEnergyContributionsProperty extends PropertyBase implements Schema {
+    static readonly propertyType = PropertyType.array_of_objects;
+    static readonly propertyName = PropertyName.formation_energy_contributions;
+    constructor(config: Omit<Schema, "name">);
+}
+export {};

dist/js/properties/array-of-objects/FormationEnergyContributionsProperty.js

@@ -0,0 +1,18 @@
+"use strict";
+var __importDefault = (this && this.__importDefault) || function (mod) {
+    return (mod && mod.__esModule) ? mod : { "default": mod };
+};
+Object.defineProperty(exports, "__esModule", { value: true });
+const FormationEnergyContributionsPropertySchemaMixin_1 = require("../../generated/FormationEnergyContributionsPropertySchemaMixin");
+const Property_1 = __importDefault(require("../../Property"));
+const settings_1 = require("../../settings");
+const PropertyBase = Property_1.default;
+class FormationEnergyContributionsProperty extends PropertyBase {
+    constructor(config) {
+        super({ ...config, name: FormationEnergyContributionsProperty.propertyName });
+    }
+}
+FormationEnergyContributionsProperty.propertyType = settings_1.PropertyType.array_of_objects;
+FormationEnergyContributionsProperty.propertyName = settings_1.PropertyName.formation_energy_contributions;
+exports.default = FormationEnergyContributionsProperty;
+(0, FormationEnergyContributionsPropertySchemaMixin_1.formationEnergyContributionsPropertySchemaMixin)(FormationEnergyContributionsProperty.prototype);

dist/js/settings.d.ts

@@ -6,7 +6,8 @@ export declare enum PropertyType {
     scalar = "scalar",
     non_scalar = "non-scalar",
     tensor = "tensor",
-    object = "object"
+    object = "object",
+    array_of_objects = "array-of-objects"
 }
 export declare enum PropertyName {
     pressure = "pressure",
@@ -23,6 +24,7 @@ export declare enum PropertyName {
     thermal_correction_to_energy = "thermal_correction_to_energy",
     thermal_correction_to_enthalpy = "thermal_correction_to_enthalpy",
     total_energy_contributions = "total_energy_contributions",
+    formation_energy_contributions = "formation_energy_contributions",
     atomic_forces = "atomic_forces",
     atomic_constraints = "atomic_constraints",
     stress_tensor = "stress_tensor",

dist/js/settings.js

@@ -14,6 +14,7 @@ var PropertyType;
     // non-scalar subtypes
     PropertyType["tensor"] = "tensor";
     PropertyType["object"] = "object";
+    PropertyType["array_of_objects"] = "array-of-objects";
 })(PropertyType || (exports.PropertyType = PropertyType = {}));
 var PropertyName;
 (function (PropertyName) {
@@ -31,6 +32,7 @@ var PropertyName;
     PropertyName["thermal_correction_to_energy"] = "thermal_correction_to_energy";
     PropertyName["thermal_correction_to_enthalpy"] = "thermal_correction_to_enthalpy";
     PropertyName["total_energy_contributions"] = "total_energy_contributions";
+    PropertyName["formation_energy_contributions"] = "formation_energy_contributions";
     PropertyName["atomic_forces"] = "atomic_forces";
     PropertyName["atomic_constraints"] = "atomic_constraints";
     PropertyName["stress_tensor"] = "stress_tensor";