feature/SOF 7265

dist/js/PropertyFactory.d.ts

@@ -8,6 +8,7 @@ import ConvergenceElectronicProperty from "./properties/non-scalar/convergence/C
 import ConvergenceIonicProperty from "./properties/non-scalar/convergence/ConvergenceIonicProperty";
 import DensityOfStatesProperty from "./properties/non-scalar/DensityOfStatesProperty";
 import DielectricTensorProperty from "./properties/non-scalar/DielectricTensorProperty";
+import FormationEnergyReferencesProperty from "./properties/non-scalar/FormationEnergyReferencesProperty";
 import FileContentProperty from "./properties/non-scalar/FileContentProperty";
 import FinalStructureProperty from "./properties/non-scalar/FinalStructureProperty";
 import HubbardUProperty from "./properties/non-scalar/HubbardUProperty";
@@ -23,6 +24,7 @@ import WavefunctionAmplitudeProperty from "./properties/non-scalar/WavefunctionA
 import WorkflowProperty from "./properties/non-scalar/WorkflowProperty";
 import TotalEnergyContributionsProperty from "./properties/object/TotalEnergyContributionsProperty";
 import FermiEnergyProperty from "./properties/scalar/FermiEnergyProperty";
+import FormationEnergyProperty from "./properties/scalar/FormationEnergyProperty";
 import HOMOEnergyProperty from "./properties/scalar/HOMOEnergyProperty";
 import IonizationPotentialElementalProperty from "./properties/scalar/IonizationPotentialElementalProperty";
 import LUMOEnergyProperty from "./properties/scalar/LUMOEnergyProperty";
@@ -52,7 +54,7 @@ export default class PropertyFactory {
     static getScalarPropertyNames(): PropertyName[];
     static getNonScalarPropertyNames(): 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 | HOMOEnergyProperty | IonizationPotentialElementalProperty | LUMOEnergyProperty | PressureProperty | ReactionEnergyBarrierProperty | SurfaceEnergyProperty | ThermalCorrectionToEnergyProperty | ThermalCorrectionToEnthalpyProperty | TotalEnergyProperty | TotalForcesProperty | ValenceBandOffsetProperty | ZeroPointEnergyProperty | AtomicForcesProperty | MagneticMomentsProperty | StressTensorProperty;
+    static createProperty(config: AnyProperty): AveragePotentialProfileProperty | BandGapsProperty | BandStructureProperty | ChargeDensityProfileProperty | ConvergenceElectronicProperty | ConvergenceIonicProperty | DensityOfStatesProperty | DielectricTensorProperty | FormationEnergyReferencesProperty | 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

@@ -12,6 +12,7 @@ const ConvergenceElectronicProperty_1 = __importDefault(require("./properties/no
 const ConvergenceIonicProperty_1 = __importDefault(require("./properties/non-scalar/convergence/ConvergenceIonicProperty"));
 const DensityOfStatesProperty_1 = __importDefault(require("./properties/non-scalar/DensityOfStatesProperty"));
 const DielectricTensorProperty_1 = __importDefault(require("./properties/non-scalar/DielectricTensorProperty"));
+const FormationEnergyReferencesProperty_1 = __importDefault(require("./properties/non-scalar/FormationEnergyReferencesProperty"));
 const FileContentProperty_1 = __importDefault(require("./properties/non-scalar/FileContentProperty"));
 const FinalStructureProperty_1 = __importDefault(require("./properties/non-scalar/FinalStructureProperty"));
 const HubbardUProperty_1 = __importDefault(require("./properties/non-scalar/HubbardUProperty"));
@@ -27,6 +28,7 @@ const WavefunctionAmplitudeProperty_1 = __importDefault(require("./properties/no
 const WorkflowProperty_1 = __importDefault(require("./properties/non-scalar/WorkflowProperty"));
 const TotalEnergyContributionsProperty_1 = __importDefault(require("./properties/object/TotalEnergyContributionsProperty"));
 const FermiEnergyProperty_1 = __importDefault(require("./properties/scalar/FermiEnergyProperty"));
+const FormationEnergyProperty_1 = __importDefault(require("./properties/scalar/FormationEnergyProperty"));
 const HOMOEnergyProperty_1 = __importDefault(require("./properties/scalar/HOMOEnergyProperty"));
 const IonizationPotentialElementalProperty_1 = __importDefault(require("./properties/scalar/IonizationPotentialElementalProperty"));
 const LUMOEnergyProperty_1 = __importDefault(require("./properties/scalar/LUMOEnergyProperty"));
@@ -51,6 +53,7 @@ const PROPERTY_CLASS_MAP = {
     [TotalEnergyProperty_1.default.propertyName]: TotalEnergyProperty_1.default,
     [HOMOEnergyProperty_1.default.propertyName]: HOMOEnergyProperty_1.default,
     [LUMOEnergyProperty_1.default.propertyName]: LUMOEnergyProperty_1.default,
+    [FormationEnergyProperty_1.default.propertyName]: FormationEnergyProperty_1.default,
     [SurfaceEnergyProperty_1.default.propertyName]: SurfaceEnergyProperty_1.default,
     [ConvergenceElectronicProperty_1.default.propertyName]: ConvergenceElectronicProperty_1.default,
     [ConvergenceIonicProperty_1.default.propertyName]: ConvergenceIonicProperty_1.default,
@@ -80,6 +83,7 @@ const PROPERTY_CLASS_MAP = {
     [IonizationPotentialElementalProperty_1.default.propertyName]: IonizationPotentialElementalProperty_1.default,
     [FileContentProperty_1.default.propertyName]: FileContentProperty_1.default,
     [DielectricTensorProperty_1.default.propertyName]: DielectricTensorProperty_1.default,
+    [FormationEnergyReferencesProperty_1.default.propertyName]: FormationEnergyReferencesProperty_1.default,
     [HubbardUProperty_1.default.propertyName]: HubbardUProperty_1.default,
     [HubbardVNNProperty_1.default.propertyName]: HubbardVNNProperty_1.default,
     [HubbardVProperty_1.default.propertyName]: HubbardVProperty_1.default,

dist/js/generated/FormationEnergyPropertySchemaMixin.d.ts

@@ -0,0 +1,5 @@
+import type { InMemoryEntity } from "@mat3ra/code/dist/js/entity";
+import type { FormationEnergyPropertySchema } from "@mat3ra/esse/dist/js/types";
+export type FormationEnergyPropertySchemaMixin = Omit<FormationEnergyPropertySchema, "_id" | "slug" | "systemName" | "schemaVersion">;
+export type FormationEnergyPropertyInMemoryEntity = InMemoryEntity & FormationEnergyPropertySchemaMixin;
+export declare function formationEnergyPropertySchemaMixin(item: InMemoryEntity): void;

dist/js/generated/FormationEnergyPropertySchemaMixin.js

@@ -0,0 +1,18 @@
+"use strict";
+Object.defineProperty(exports, "__esModule", { value: true });
+exports.formationEnergyPropertySchemaMixin = formationEnergyPropertySchemaMixin;
+function formationEnergyPropertySchemaMixin(item) {
+    // @ts-expect-error
+    const properties = {
+        get name() {
+            return this.requiredProp("name");
+        },
+        get units() {
+            return this.requiredProp("units");
+        },
+        get value() {
+            return this.requiredProp("value");
+        },
+    };
+    Object.defineProperties(item, Object.getOwnPropertyDescriptors(properties));
+}

dist/js/generated/FormationEnergyReferencesPropertySchemaMixin.d.ts

@@ -0,0 +1,5 @@
+import type { InMemoryEntity } from "@mat3ra/code/dist/js/entity";
+import type { FormationEnergyReferencesPropertySchema } from "@mat3ra/esse/dist/js/types";
+export type FormationEnergyReferencesPropertySchemaMixin = Omit<FormationEnergyReferencesPropertySchema, "_id" | "slug" | "systemName" | "schemaVersion">;
+export type FormationEnergyReferencesPropertyInMemoryEntity = InMemoryEntity & FormationEnergyReferencesPropertySchemaMixin;
+export declare function formationEnergyReferencesPropertySchemaMixin(item: InMemoryEntity): void;

dist/js/generated/FormationEnergyReferencesPropertySchemaMixin.js

@@ -0,0 +1,15 @@
+"use strict";
+Object.defineProperty(exports, "__esModule", { value: true });
+exports.formationEnergyReferencesPropertySchemaMixin = formationEnergyReferencesPropertySchemaMixin;
+function formationEnergyReferencesPropertySchemaMixin(item) {
+    // @ts-expect-error
+    const properties = {
+        get name() {
+            return this.requiredProp("name");
+        },
+        get value() {
+            return this.requiredProp("value");
+        },
+    };
+    Object.defineProperties(item, Object.getOwnPropertyDescriptors(properties));
+}

dist/js/index.d.ts

@@ -5,9 +5,11 @@ export { default as MetaProperty } from "./MetaProperty";
 export { default as PseudopotentialMetaProperty } from "./meta_properties/PseudopotentialMetaProperty";
 export { default as FinalStructureProperty } from "./properties/non-scalar/FinalStructureProperty";
 export { default as BandGapsProperty } from "./properties/non-scalar/BandGapsProperty";
+export { default as FormationEnergyReferencesProperty } from "./properties/non-scalar/FormationEnergyReferencesProperty";
 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";

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.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.FormationEnergyReferencesProperty = 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");
@@ -33,12 +33,16 @@ var FinalStructureProperty_1 = require("./properties/non-scalar/FinalStructurePr
 Object.defineProperty(exports, "FinalStructureProperty", { enumerable: true, get: function () { return __importDefault(FinalStructureProperty_1).default; } });
 var BandGapsProperty_1 = require("./properties/non-scalar/BandGapsProperty");
 Object.defineProperty(exports, "BandGapsProperty", { enumerable: true, get: function () { return __importDefault(BandGapsProperty_1).default; } });
+var FormationEnergyReferencesProperty_1 = require("./properties/non-scalar/FormationEnergyReferencesProperty");
+Object.defineProperty(exports, "FormationEnergyReferencesProperty", { enumerable: true, get: function () { return __importDefault(FormationEnergyReferencesProperty_1).default; } });
 var IsRelaxedProperty_1 = require("./properties/non-scalar/IsRelaxedProperty");
 Object.defineProperty(exports, "IsRelaxedProperty", { enumerable: true, get: function () { return __importDefault(IsRelaxedProperty_1).default; } });
 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");

dist/js/properties/non-scalar/FormationEnergyReferencesProperty.d.ts

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

dist/js/properties/non-scalar/FormationEnergyReferencesProperty.js

@@ -0,0 +1,17 @@
+"use strict";
+var __importDefault = (this && this.__importDefault) || function (mod) {
+    return (mod && mod.__esModule) ? mod : { "default": mod };
+};
+Object.defineProperty(exports, "__esModule", { value: true });
+const FormationEnergyReferencesPropertySchemaMixin_1 = require("../../generated/FormationEnergyReferencesPropertySchemaMixin");
+const Property_1 = __importDefault(require("../../Property"));
+const settings_1 = require("../../settings");
+class FormationEnergyReferencesProperty extends Property_1.default {
+    constructor(config) {
+        super({ ...config, name: FormationEnergyReferencesProperty.propertyName });
+    }
+}
+FormationEnergyReferencesProperty.propertyName = settings_1.PropertyName.formation_energy_references;
+FormationEnergyReferencesProperty.propertyType = settings_1.PropertyType.non_scalar;
+exports.default = FormationEnergyReferencesProperty;
+(0, FormationEnergyReferencesPropertySchemaMixin_1.formationEnergyReferencesPropertySchemaMixin)(FormationEnergyReferencesProperty.prototype);

dist/js/properties/scalar/FormationEnergyProperty.d.ts

@@ -0,0 +1,15 @@
+import type { Constructor } from "@mat3ra/code/dist/js/utils/types";
+import type { FormationEnergyPropertySchema } from "@mat3ra/esse/dist/js/types";
+import { FormationEnergyPropertySchemaMixin } from "../../generated/FormationEnergyPropertySchemaMixin";
+import Property from "../../Property";
+import { PropertyName, PropertyType } from "../../settings";
+type Schema = FormationEnergyPropertySchema;
+type Base = typeof Property<Schema> & Constructor<FormationEnergyPropertySchemaMixin>;
+declare const FormationEnergyProperty_base: Base;
+export default class FormationEnergyProperty extends FormationEnergyProperty_base implements Schema {
+    static readonly isRefined = true;
+    static readonly propertyName = PropertyName.formation_energy;
+    static readonly propertyType = PropertyType.scalar;
+    constructor(config: Omit<Schema, "name">);
+}
+export {};

dist/js/properties/scalar/FormationEnergyProperty.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 FormationEnergyPropertySchemaMixin_1 = require("../../generated/FormationEnergyPropertySchemaMixin");
+const Property_1 = __importDefault(require("../../Property"));
+const settings_1 = require("../../settings");
+class FormationEnergyProperty extends Property_1.default {
+    constructor(config) {
+        super({ ...config, name: FormationEnergyProperty.propertyName });
+    }
+}
+FormationEnergyProperty.isRefined = true;
+FormationEnergyProperty.propertyName = settings_1.PropertyName.formation_energy;
+FormationEnergyProperty.propertyType = settings_1.PropertyType.scalar;
+exports.default = FormationEnergyProperty;
+(0, FormationEnergyPropertySchemaMixin_1.formationEnergyPropertySchemaMixin)(FormationEnergyProperty.prototype);

dist/js/settings.d.ts

@@ -15,6 +15,7 @@ export declare enum PropertyName {
     homo_energy = "homo_energy",
     lumo_energy = "lumo_energy",
     surface_energy = "surface_energy",
+    formation_energy = "formation_energy",
     convergence_electronic = "convergence_electronic",
     convergence_ionic = "convergence_ionic",
     fermi_energy = "fermi_energy",
@@ -47,6 +48,7 @@ export declare enum PropertyName {
     pseudopotential = "pseudopotential",
     boundary_conditions = "boundary_conditions",
     dielectric_tensor = "dielectric_tensor",
+    formation_energy_references = "formation_energy_references",
     hubbard_u = "hubbard_u",
     hubbard_v_nn = "hubbard_v_nn",
     hubbard_v = "hubbard_v"

dist/js/settings.js

@@ -23,6 +23,7 @@ var PropertyName;
     PropertyName["homo_energy"] = "homo_energy";
     PropertyName["lumo_energy"] = "lumo_energy";
     PropertyName["surface_energy"] = "surface_energy";
+    PropertyName["formation_energy"] = "formation_energy";
     PropertyName["convergence_electronic"] = "convergence_electronic";
     PropertyName["convergence_ionic"] = "convergence_ionic";
     PropertyName["fermi_energy"] = "fermi_energy";
@@ -55,6 +56,7 @@ var PropertyName;
     PropertyName["pseudopotential"] = "pseudopotential";
     PropertyName["boundary_conditions"] = "boundary_conditions";
     PropertyName["dielectric_tensor"] = "dielectric_tensor";
+    PropertyName["formation_energy_references"] = "formation_energy_references";
     PropertyName["hubbard_u"] = "hubbard_u";
     PropertyName["hubbard_v_nn"] = "hubbard_v_nn";
     PropertyName["hubbard_v"] = "hubbard_v";