@mat3ra/prode 2025.11.25-0

package/src/js/properties/scalar/PressureProperty.ts

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+import type { Constructor } from "@mat3ra/code/dist/js/utils/types";
+import type { PressurePropertySchema } from "@mat3ra/esse/dist/js/types";
+
+import {
+    PressurePropertySchemaMixin,
+    pressurePropertySchemaMixin,
+} from "../../generated/PressurePropertySchemaMixin";
+import Property from "../../Property";
+import { PropertyName, PropertyType } from "../../settings";
+
+type Schema = PressurePropertySchema;
+
+type Base = typeof Property<Schema> & Constructor<PressurePropertySchemaMixin>;
+
+export default class PressureProperty extends (Property as Base) implements Schema {
+    static readonly isRefined = true;
+
+    static readonly propertyName = PropertyName.pressure;
+
+    static readonly propertyType = PropertyType.scalar;
+
+    constructor(config: Omit<Schema, "name">) {
+        super({ ...config, name: PressureProperty.propertyName });
+    }
+}
+
+pressurePropertySchemaMixin(PressureProperty.prototype);

package/src/js/properties/scalar/ReactionEnergyBarrierProperty.ts

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+import type { Constructor } from "@mat3ra/code/dist/js/utils/types";
+import type { ReactionEnergyBarrierPropertySchema } from "@mat3ra/esse/dist/js/types";
+
+import {
+    ReactionEnergyBarrierPropertySchemaMixin,
+    reactionEnergyBarrierPropertySchemaMixin,
+} from "../../generated/ReactionEnergyBarrierPropertySchemaMixin";
+import Property from "../../Property";
+import { PropertyName, PropertyType } from "../../settings";
+
+type Schema = ReactionEnergyBarrierPropertySchema;
+
+type Base = typeof Property<Schema> & Constructor<ReactionEnergyBarrierPropertySchemaMixin>;
+
+class ReactionEnergyBarrierProperty extends (Property as Base) implements Schema {
+    static readonly isRefined = true;
+
+    static readonly propertyName = PropertyName.reaction_energy_barrier;
+
+    static readonly propertyType = PropertyType.scalar;
+
+    constructor(config: Omit<Schema, "name">) {
+        super({ ...config, name: ReactionEnergyBarrierProperty.propertyName });
+    }
+}
+
+reactionEnergyBarrierPropertySchemaMixin(ReactionEnergyBarrierProperty.prototype);
+
+export default ReactionEnergyBarrierProperty;

package/src/js/properties/scalar/SurfaceEnergyProperty.ts

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+import type { Constructor } from "@mat3ra/code/dist/js/utils/types";
+import type { SurfaceEnergyPropertySchema } from "@mat3ra/esse/dist/js/types";
+
+import {
+    SurfaceEnergyPropertySchemaMixin,
+    surfaceEnergyPropertySchemaMixin,
+} from "../../generated/SurfaceEnergyPropertySchemaMixin";
+import Property from "../../Property";
+import { PropertyName, PropertyType } from "../../settings";
+
+type Schema = SurfaceEnergyPropertySchema;
+
+type Base = typeof Property<Schema> & Constructor<SurfaceEnergyPropertySchemaMixin>;
+
+export default class SurfaceEnergyProperty extends (Property as Base) implements Schema {
+    static readonly isRefined = true;
+
+    static readonly propertyName = PropertyName.surface_energy;
+
+    static readonly propertyType = PropertyType.scalar;
+
+    constructor(config: Omit<Schema, "name">) {
+        super({ ...config, name: SurfaceEnergyProperty.propertyName });
+    }
+}
+
+surfaceEnergyPropertySchemaMixin(SurfaceEnergyProperty.prototype);

package/src/js/properties/scalar/TotalEnergyProperty.ts

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+import type { Constructor } from "@mat3ra/code/dist/js/utils/types";
+import type { TotalEnergyPropertySchema } from "@mat3ra/esse/dist/js/types";
+
+import {
+    TotalEnergyPropertySchemaMixin,
+    totalEnergyPropertySchemaMixin,
+} from "../../generated/TotalEnergyPropertySchemaMixin";
+import Property from "../../Property";
+import { PropertyName, PropertyType } from "../../settings";
+
+type Schema = TotalEnergyPropertySchema;
+
+type Base = typeof Property<Schema> & Constructor<TotalEnergyPropertySchemaMixin>;
+
+export default class TotalEnergyProperty extends (Property as Base) implements Schema {
+    static readonly isRefined = true;
+
+    static readonly propertyName = PropertyName.total_energy;
+
+    static readonly propertyType = PropertyType.scalar;
+
+    constructor(config: Omit<Schema, "name">) {
+        super({ ...config, name: TotalEnergyProperty.propertyName });
+    }
+}
+
+totalEnergyPropertySchemaMixin(TotalEnergyProperty.prototype);

package/src/js/properties/scalar/TotalForceProperty.ts

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+import type { Constructor } from "@mat3ra/code/dist/js/utils/types";
+import type { TotalForcesPropertySchema } from "@mat3ra/esse/dist/js/types";
+
+import {
+    TotalForcePropertySchemaMixin,
+    totalForcePropertySchemaMixin,
+} from "../../generated/TotalForcePropertySchemaMixin";
+import Property from "../../Property";
+import { PropertyName, PropertyType } from "../../settings";
+
+type Schema = TotalForcesPropertySchema;
+
+type Base = typeof Property<Schema> & Constructor<TotalForcePropertySchemaMixin>;
+
+export default class TotalForceProperty extends (Property as Base) implements Schema {
+    static readonly propertyName = PropertyName.total_force;
+
+    static readonly propertyType = PropertyType.scalar;
+
+    constructor(config: Omit<Schema, "name">) {
+        super({ ...config, name: TotalForceProperty.propertyName });
+    }
+}
+
+totalForcePropertySchemaMixin(TotalForceProperty.prototype);

package/src/js/properties/scalar/ValenceBandOffsetProperty.ts

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+import type { Constructor } from "@mat3ra/code/dist/js/utils/types";
+import type { ValenceBandOffsetPropertySchema } from "@mat3ra/esse/dist/js/types";
+
+import {
+    ValenceBandOffsetPropertySchemaMixin,
+    valenceBandOffsetPropertySchemaMixin,
+} from "../../generated/ValenceBandOffsetPropertySchemaMixin";
+import Property from "../../Property";
+import { PropertyName, PropertyType } from "../../settings";
+
+type Schema = ValenceBandOffsetPropertySchema;
+
+type Base = typeof Property<Schema> & Constructor<ValenceBandOffsetPropertySchemaMixin>;
+
+export default class ValenceBandOffsetProperty extends (Property as Base) implements Schema {
+    static readonly isRefined = true;
+
+    static readonly propertyName = PropertyName.valence_band_offset;
+
+    static readonly propertyType = PropertyType.scalar;
+
+    constructor(config: Omit<Schema, "name">) {
+        super({ ...config, name: ValenceBandOffsetProperty.propertyName });
+    }
+}
+
+valenceBandOffsetPropertySchemaMixin(ValenceBandOffsetProperty.prototype);

package/src/js/properties/scalar/ZeroPointEnergyProperty.ts

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+import type { Constructor } from "@mat3ra/code/dist/js/utils/types";
+import type { ZeroPointEnergyPropertySchema } from "@mat3ra/esse/dist/js/types";
+
+import {
+    ZeroPointEnergyPropertySchemaMixin,
+    zeroPointEnergyPropertySchemaMixin,
+} from "../../generated/ZeroPointEnergyPropertySchemaMixin";
+import Property from "../../Property";
+import { PropertyName, PropertyType } from "../../settings";
+
+type Schema = ZeroPointEnergyPropertySchema;
+
+type Base = typeof Property<Schema> & Constructor<ZeroPointEnergyPropertySchemaMixin>;
+
+export default class ZeroPointEnergyProperty extends (Property as Base) implements Schema {
+    static readonly propertyName = PropertyName.zero_point_energy;
+
+    static readonly propertyType = PropertyType.scalar;
+
+    constructor(config: Omit<Schema, "name">) {
+        super({ ...config, name: ZeroPointEnergyProperty.propertyName });
+    }
+}
+
+zeroPointEnergyPropertySchemaMixin(ZeroPointEnergyProperty.prototype);

package/src/js/properties/tensor/AtomicForcesProperty.ts

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+import type { Constructor } from "@mat3ra/code/dist/js/utils/types";
+import type { AtomicForcesPropertySchema } from "@mat3ra/esse/dist/js/types";
+
+import {
+    AtomicForcesPropertySchemaMixin,
+    atomicForcesPropertySchemaMixin,
+} from "../../generated/AtomicForcesPropertySchemaMixin";
+import Property from "../../Property";
+import { PropertyName, PropertyType } from "../../settings";
+
+type Schema = AtomicForcesPropertySchema;
+
+type Base = typeof Property<Schema> & Constructor<AtomicForcesPropertySchemaMixin>;
+
+class AtomicForcesProperty extends (Property as Base) implements Schema {
+    static readonly propertyName = PropertyName.atomic_forces;
+
+    static readonly propertyType = PropertyType.tensor;
+
+    constructor(config: Omit<Schema, "name">) {
+        super({ ...config, name: AtomicForcesProperty.propertyName });
+    }
+}
+
+atomicForcesPropertySchemaMixin(AtomicForcesProperty.prototype);
+
+export default AtomicForcesProperty;

package/src/js/properties/tensor/MagneticMomentsProperty.ts

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+import type { Constructor } from "@mat3ra/code/dist/js/utils/types";
+import type { MagneticMomentsPropertySchema } from "@mat3ra/esse/dist/js/types";
+
+import {
+    MagneticMomentsPropertySchemaMixin,
+    magneticMomentsPropertySchemaMixin,
+} from "../../generated/MagneticMomentsPropertySchemaMixin";
+import Property from "../../Property";
+import { PropertyName, PropertyType } from "../../settings";
+
+type Schema = MagneticMomentsPropertySchema;
+
+type Base = typeof Property<Schema> & Constructor<MagneticMomentsPropertySchemaMixin>;
+
+class MagneticMomentsProperty extends (Property as Base) implements Schema {
+    static readonly propertyName = PropertyName.magnetic_moments;
+
+    static readonly propertyType = PropertyType.tensor;
+
+    constructor(config: Omit<Schema, "name">) {
+        super({ ...config, name: MagneticMomentsProperty.propertyName });
+    }
+}
+
+magneticMomentsPropertySchemaMixin(MagneticMomentsProperty.prototype);
+
+export default MagneticMomentsProperty;

package/src/js/properties/tensor/StressTensorProperty.ts

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+import type { Constructor } from "@mat3ra/code/dist/js/utils/types";
+import type { StressTensorPropertySchema } from "@mat3ra/esse/dist/js/types";
+
+import {
+    StressTensorPropertySchemaMixin,
+    stressTensorPropertySchemaMixin,
+} from "../../generated/StressTensorPropertySchemaMixin";
+import Property from "../../Property";
+import { PropertyName, PropertyType } from "../../settings";
+
+type Schema = StressTensorPropertySchema;
+
+type Base = typeof Property<Schema> & Constructor<StressTensorPropertySchemaMixin>;
+
+export default class StressTensorProperty extends (Property as Base) implements Schema {
+    static readonly propertyName = PropertyName.stress_tensor;
+
+    static readonly propertyType = PropertyType.tensor;
+
+    constructor(config: Omit<Schema, "name">) {
+        super({ ...config, name: StressTensorProperty.propertyName });
+    }
+}
+
+stressTensorPropertySchemaMixin(StressTensorProperty.prototype);

package/src/js/proto_properties/AtomicConstraintsProperty.ts

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+import type { Constructor } from "@mat3ra/code/dist/js/utils/types";
+import type { AtomicConstraintsPropertySchema } from "@mat3ra/esse/dist/js/types";
+
+import {
+    type AtomicConstraintsPropertySchemaMixin,
+    atomicConstraintsPropertySchemaMixin,
+} from "../generated/AtomicConstraintsPropertySchemaMixin";
+import ProtoProperty from "../ProtoProperty";
+import { PropertyName } from "../settings";
+
+type Schema = AtomicConstraintsPropertySchema;
+
+type Base = typeof ProtoProperty<Schema> & Constructor<AtomicConstraintsPropertySchemaMixin>;
+
+class AtomicConstraintsProperty extends (ProtoProperty as Base) implements Schema {
+    static readonly propertyName = PropertyName.atomic_constraints;
+
+    constructor(config: Omit<Schema, "name">) {
+        super({ ...config, name: AtomicConstraintsProperty.propertyName });
+    }
+}
+
+atomicConstraintsPropertySchemaMixin(AtomicConstraintsProperty.prototype);
+
+export default AtomicConstraintsProperty;

package/src/js/proto_properties/BoundaryConditionsProperty.ts

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+import type { Constructor } from "@mat3ra/code/dist/js/utils/types";
+import type { BoundaryConditionsPropertySchema } from "@mat3ra/esse/dist/js/types";
+
+import {
+    type BoundaryConditionsPropertySchemaMixin,
+    boundaryConditionsPropertySchemaMixin,
+} from "../generated/BoundaryConditionsPropertySchemaMixin";
+import ProtoProperty from "../ProtoProperty";
+import { PropertyName } from "../settings";
+
+type Schema = BoundaryConditionsPropertySchema;
+
+type Base = typeof ProtoProperty<Schema> & Constructor<BoundaryConditionsPropertySchemaMixin>;
+
+class BoundaryConditionsProperty extends (ProtoProperty as Base) implements Schema {
+    static readonly propertyName = PropertyName.boundary_conditions;
+
+    constructor(config: Omit<Schema, "name">) {
+        super({ ...config, name: BoundaryConditionsProperty.propertyName });
+    }
+}
+
+boundaryConditionsPropertySchemaMixin(BoundaryConditionsProperty.prototype);
+
+export default BoundaryConditionsProperty;

package/src/js/settings.ts

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+export enum ExternalSource {
+    materials_project = "MaterialsProject",
+    icsd = "ICSD",
+}
+
+export enum PropertyType {
+    // by data type
+    scalar = "scalar",
+    non_scalar = "non-scalar",
+    // non-scalar subtypes
+    tensor = "tensor",
+    object = "object",
+}
+
+export enum PropertyName {
+    pressure = "pressure",
+    total_force = "total_force",
+    total_energy = "total_energy",
+    surface_energy = "surface_energy",
+    convergence_electronic = "convergence_electronic",
+    convergence_ionic = "convergence_ionic",
+    fermi_energy = "fermi_energy",
+    zero_point_energy = "zero_point_energy",
+    total_energy_contributions = "total_energy_contributions",
+    atomic_forces = "atomic_forces",
+    atomic_constraints = "atomic_constraints",
+    stress_tensor = "stress_tensor",
+    density_of_states = "density_of_states",
+    band_structure = "band_structure",
+    band_gaps = "band_gaps",
+    phonon_dispersions = "phonon_dispersions",
+    phonon_dos = "phonon_dos",
+    final_structure = "final_structure",
+    is_relaxed = "is_relaxed",
+    workflow_pyml_predict = "workflow:pyml_predict",
+    file_content = "file_content",
+    magnetic_moments = "magnetic_moments",
+    reaction_energy_barrier = "reaction_energy_barrier",
+    reaction_energy_profile = "reaction_energy_profile",
+    potential_profile = "potential_profile",
+    charge_density_profile = "charge_density_profile",
+    jupyter_notebook_endpoint = "jupyter_notebook_endpoint",
+    average_potential_profile = "average_potential_profile",
+    valence_band_offset = "valence_band_offset",
+    ionization_potential = "ionization_potential",
+    pseudopotential = "pseudopotential",
+    boundary_conditions = "boundary_conditions",
+    dielectric_tensor = "dielectric_tensor",
+    hubbard_u = "hubbard_u",
+    hubbard_v_nn = "hubbard_v_nn",
+    hubbard_v = "hubbard_v",
+}

package/src/js/types.ts

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+export type { PropertySchemaJSON, PropertyRowValue } from "./Property";
+export type {
+    PropertyHolderSourceSchema,
+    PropertyHolderMixin,
+    PropertyInMemoryEntity,
+} from "./holders/mixins/PropertyHolderMixin";
+export type {
+    ProtoPropertyHolderMixin,
+    ProtoPropertyInMemoryEntity,
+} from "./holders/mixins/ProtoPropertyHolderMixin";
+export type { ProtoPropertySchemaJSON } from "./holders/mixins/ProtoPropertyHolderMixin";
+export type {
+    MetaPropertyHolderMixin,
+    MetaPropertyInMemoryEntity,
+} from "./holders/mixins/MetaPropertyHolderMixin";
+export type { MetaPropertySchemaJSON } from "./holders/mixins/MetaPropertyHolderMixin";
+export type { default as AtomicForcesProperty } from "./properties/tensor/AtomicForcesProperty";
+export type { default as MagneticMomentsProperty } from "./properties/tensor/MagneticMomentsProperty";
+export type { default as StressTensorProperty } from "./properties/tensor/StressTensorProperty";
+export type { default as AveragePotentialProfileProperty } from "./properties/non-scalar/AveragePotentialProfileProperty";
+export type { default as DensityOfStatesProperty } from "./properties/non-scalar/DensityOfStatesProperty";
+export type { default as DielectricTensorProperty } from "./properties/non-scalar/DielectricTensorProperty";
+export type { default as PhononDispersionsProperty } from "./properties/non-scalar/PhononDispersionsProperty";
+export type { default as PhononDOSProperty } from "./properties/non-scalar/PhononDOSProperty";

package/tsconfig.json

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+{
+    "extends": "@mat3ra/tsconfig/tsconfig-js-py-dev.json"
+}