@mat3ra/wode 2026.5.23-0 → 2026.6.5-0

package/dist/js/context/providers/CollinearMagnetizationDataManager.d.ts

@@ -0,0 +1,42 @@
+import type { CollinearMagnetizationContextItemSchema, CollinearMagnetizationContextProviderSchema } from "@mat3ra/esse/dist/js/types";
+import type { JSONSchema7 } from "json-schema";
+import { type MaterialContextMixin, type MaterialExternalContext } from "../mixins/MaterialContextMixin";
+import type { UnitContext } from "./base/ContextProvider";
+import JSONSchemaDataProvider, { type JinjaExternalContext } from "./base/JSONSchemaDataProvider";
+type Data = CollinearMagnetizationContextProviderSchema;
+type Schema = CollinearMagnetizationContextItemSchema;
+type ExternalContext = JinjaExternalContext & MaterialExternalContext;
+interface CollinearMagnetizationDataManager extends MaterialContextMixin {
+}
+declare class CollinearMagnetizationDataManager extends JSONSchemaDataProvider<Schema, ExternalContext> {
+    readonly name: "collinearMagnetization";
+    readonly domain: "important";
+    readonly entityName: "unit";
+    static createFromUnitContext(unitContext: UnitContext, externalContext: ExternalContext): CollinearMagnetizationDataManager;
+    readonly jsonSchema: JSONSchema7;
+    private readonly isTotalMagnetization;
+    private readonly firstElement;
+    private readonly uniqueElementsWithLabels;
+    constructor(contextItem: Partial<Schema>, externalContext: ExternalContext);
+    getDefaultData(): Data;
+    setData(data: Data): void;
+    get uiSchemaStyled(): {
+        startingMagnetization: {
+            items: {
+                atomicSpecies: {
+                    "ui:classNames": string;
+                };
+                value: {
+                    "ui:classNames": string;
+                };
+            };
+            "ui:readonly": boolean;
+        };
+        isTotalMagnetization: {};
+        totalMagnetization: {
+            "ui:classNames": string;
+            "ui:readonly": boolean;
+        };
+    };
+}
+export default CollinearMagnetizationDataManager;

package/dist/js/context/providers/CollinearMagnetizationDataManager.js

@@ -0,0 +1,101 @@
+"use strict";
+var __importDefault = (this && this.__importDefault) || function (mod) {
+    return (mod && mod.__esModule) ? mod : { "default": mod };
+};
+Object.defineProperty(exports, "__esModule", { value: true });
+const JSONSchemasInterface_1 = __importDefault(require("@mat3ra/esse/dist/js/esse/JSONSchemasInterface"));
+const MaterialContextMixin_1 = __importDefault(require("../mixins/MaterialContextMixin"));
+const JSONSchemaDataProvider_1 = __importDefault(require("./base/JSONSchemaDataProvider"));
+const defaultData = {
+    value: 0.0,
+    isTotalMagnetization: false,
+    totalMagnetization: 0.0,
+};
+const jsonSchemaId = "context-providers-directory/collinear-magnetization-context-provider";
+class CollinearMagnetizationDataManager extends JSONSchemaDataProvider_1.default {
+    static createFromUnitContext(unitContext, externalContext) {
+        const contextItem = this.findContextItem(unitContext, "collinearMagnetization");
+        return new CollinearMagnetizationDataManager(contextItem, externalContext);
+    }
+    constructor(contextItem, externalContext) {
+        var _a, _b, _c, _d;
+        super(contextItem, externalContext);
+        this.name = "collinearMagnetization";
+        this.domain = "important";
+        this.entityName = "unit";
+        this.initMaterialContextMixin(externalContext);
+        this.uniqueElementsWithLabels = [
+            ...new Set(((_b = (_a = this.material) === null || _a === void 0 ? void 0 : _a.Basis) === null || _b === void 0 ? void 0 : _b.elementsWithLabelsArray) || []),
+        ];
+        this.firstElement =
+            ((_c = this.uniqueElementsWithLabels) === null || _c === void 0 ? void 0 : _c.length) > 0 ? this.uniqueElementsWithLabels[0] : "";
+        this.isTotalMagnetization = ((_d = this.data) === null || _d === void 0 ? void 0 : _d.isTotalMagnetization) || false;
+        const jsonSchema = JSONSchemasInterface_1.default.getPatchedSchemaById(jsonSchemaId, {
+            "properties.startingMagnetization": {
+                maxItems: this.uniqueElementsWithLabels.length,
+            },
+            "properties.startingMagnetization.items.properties.atomicSpecies": {
+                enum: this.uniqueElementsWithLabels,
+                default: this.firstElement,
+            },
+            "properties.startingMagnetization.items.properties.value": {
+                default: defaultData.value,
+            },
+            "properties.isTotalMagnetization": {
+                default: defaultData.isTotalMagnetization,
+            },
+            "properties.totalMagnetization": {
+                default: defaultData.totalMagnetization,
+            },
+        });
+        if (!jsonSchema) {
+            throw new Error("Failed to get patched JSON schema");
+        }
+        this.jsonSchema = jsonSchema;
+    }
+    getDefaultData() {
+        return {
+            startingMagnetization: [
+                {
+                    index: 1,
+                    atomicSpecies: this.firstElement,
+                    value: defaultData.value,
+                },
+            ],
+            isTotalMagnetization: defaultData.isTotalMagnetization,
+            totalMagnetization: defaultData.totalMagnetization,
+        };
+    }
+    setData(data) {
+        const startingMagnetization = data.startingMagnetization.map((row) => ({
+            ...row,
+            index: this.uniqueElementsWithLabels.indexOf(row.atomicSpecies) + 1,
+        }));
+        super.setData({
+            ...data,
+            startingMagnetization,
+        });
+    }
+    get uiSchemaStyled() {
+        return {
+            startingMagnetization: {
+                items: {
+                    atomicSpecies: {
+                        "ui:classNames": "col-xs-3",
+                    },
+                    value: {
+                        "ui:classNames": "col-xs-6",
+                    },
+                },
+                "ui:readonly": this.isTotalMagnetization,
+            },
+            isTotalMagnetization: {},
+            totalMagnetization: {
+                "ui:classNames": "col-xs-6",
+                "ui:readonly": !this.isTotalMagnetization,
+            },
+        };
+    }
+}
+(0, MaterialContextMixin_1.default)(CollinearMagnetizationDataManager.prototype);
+exports.default = CollinearMagnetizationDataManager;

package/dist/js/context/providers/Hubbard/HubbardContextManagerLegacy.d.ts

@@ -0,0 +1,29 @@
+import type { HubbardLegacyContextItemSchema, HubbardLegacyContextProviderSchema } from "@mat3ra/esse/dist/js/types";
+import type { JSONSchema7 } from "json-schema";
+import type { UnitContext } from "../base/ContextProvider";
+import HubbardContextProvider, { type HubbardExternalContext } from "./HubbardContextProvider";
+type Schema = HubbardLegacyContextItemSchema;
+type Data = HubbardLegacyContextProviderSchema;
+export default class HubbardContextManagerLegacy extends HubbardContextProvider<Schema> {
+    readonly name: "hubbard_legacy";
+    readonly domain: "important";
+    readonly entityName: "unit";
+    static createFromUnitContext(unitContext: UnitContext, externalContext: HubbardExternalContext): HubbardContextManagerLegacy;
+    readonly jsonSchema: JSONSchema7;
+    readonly uiSchemaStyled: {
+        readonly "ui:options": {
+            readonly addable: true;
+            readonly orderable: false;
+            readonly removable: true;
+        };
+        readonly items: {
+            readonly atomicSpeciesIndex: {
+                readonly "ui:readonly": true;
+            };
+        };
+    };
+    constructor(contextItem: Partial<Schema>, externalContext: HubbardExternalContext);
+    getDefaultData(): Data;
+    setData(data: Data): void;
+}
+export {};

package/dist/js/context/providers/Hubbard/HubbardContextManagerLegacy.js

@@ -0,0 +1,69 @@
+"use strict";
+var __importDefault = (this && this.__importDefault) || function (mod) {
+    return (mod && mod.__esModule) ? mod : { "default": mod };
+};
+Object.defineProperty(exports, "__esModule", { value: true });
+const JSONSchemasInterface_1 = __importDefault(require("@mat3ra/esse/dist/js/esse/JSONSchemasInterface"));
+const HubbardContextProvider_1 = __importDefault(require("./HubbardContextProvider"));
+const defaultHubbardConfig = {
+    hubbardUValue: 1.0,
+};
+const jsonSchemaId = "context-providers-directory/hubbard-legacy-context-provider";
+class HubbardContextManagerLegacy extends HubbardContextProvider_1.default {
+    static createFromUnitContext(unitContext, externalContext) {
+        const contextItem = this.findContextItem(unitContext, "hubbard_legacy");
+        return new HubbardContextManagerLegacy(contextItem, externalContext);
+    }
+    constructor(contextItem, externalContext) {
+        super(contextItem, externalContext);
+        this.name = "hubbard_legacy";
+        this.domain = "important";
+        this.entityName = "unit";
+        this.uiSchemaStyled = {
+            "ui:options": {
+                addable: true,
+                orderable: false,
+                removable: true,
+            },
+            items: {
+                atomicSpeciesIndex: { "ui:readonly": true },
+            },
+        };
+        const jsonSchema = JSONSchemasInterface_1.default.getPatchedSchemaById(jsonSchemaId, {
+            "items.properties.atomicSpecies": {
+                enum: this.uniqueElementsWithLabels,
+            },
+            "items.properties.hubbardUValue": {
+                default: defaultHubbardConfig.hubbardUValue,
+            },
+        });
+        if (!jsonSchema) {
+            throw new Error("Failed to get patched JSON schema");
+        }
+        this.jsonSchema = jsonSchema;
+    }
+    getDefaultData() {
+        var _a;
+        return [
+            {
+                ...defaultHubbardConfig,
+                atomicSpecies: this.firstElement,
+                atomicSpeciesIndex: ((_a = this.uniqueElementsWithLabels) === null || _a === void 0 ? void 0 : _a.length) > 0 ? 1 : undefined,
+            },
+        ];
+    }
+    setData(data) {
+        const hubbardUValues = data.map((row) => {
+            var _a;
+            const atomicSpeciesIndex = ((_a = this.uniqueElementsWithLabels) === null || _a === void 0 ? void 0 : _a.length) > 0
+                ? this.uniqueElementsWithLabels.indexOf(row.atomicSpecies || "") + 1
+                : undefined;
+            return {
+                ...row,
+                atomicSpeciesIndex,
+            };
+        });
+        super.setData(hubbardUValues);
+    }
+}
+exports.default = HubbardContextManagerLegacy;

package/dist/js/context/providers/Hubbard/HubbardContextProvider.d.ts

@@ -0,0 +1,20 @@
+import type { Constructor } from "@mat3ra/code/dist/js/utils/types";
+import type { HubbardJContextItemSchema, HubbardLegacyContextItemSchema, HubbardUContextItemSchema, HubbardVContextItemSchema } from "@mat3ra/esse/dist/js/types";
+import { type MaterialContextMixin, type MaterialExternalContext } from "../../mixins/MaterialContextMixin";
+import JSONSchemaDataProvider, { type JinjaExternalContext } from "../base/JSONSchemaDataProvider";
+type Schema = HubbardJContextItemSchema | HubbardUContextItemSchema | HubbardVContextItemSchema | HubbardLegacyContextItemSchema;
+export type HubbardExternalContext = JinjaExternalContext & MaterialExternalContext;
+type Base = typeof JSONSchemaDataProvider<Schema, HubbardExternalContext> & Constructor<MaterialContextMixin>;
+declare const HubbardContextProvider_base: Base;
+declare abstract class HubbardContextProvider<S extends Schema, EC extends HubbardExternalContext = HubbardExternalContext> extends HubbardContextProvider_base {
+    abstract readonly name: S["name"];
+    abstract getDefaultData(): S["data"];
+    readonly domain: "important";
+    readonly entityName: "unit";
+    protected readonly uniqueElementsWithLabels: string[];
+    protected readonly firstElement: string;
+    protected readonly secondSpecies: string;
+    protected readonly orbitalList: string[];
+    constructor(contextItem: Partial<S>, externalContext: EC);
+}
+export default HubbardContextProvider;

package/dist/js/context/providers/Hubbard/HubbardContextProvider.js

@@ -0,0 +1,47 @@
+"use strict";
+var __importDefault = (this && this.__importDefault) || function (mod) {
+    return (mod && mod.__esModule) ? mod : { "default": mod };
+};
+Object.defineProperty(exports, "__esModule", { value: true });
+const MaterialContextMixin_1 = __importDefault(require("../../mixins/MaterialContextMixin"));
+const JSONSchemaDataProvider_1 = __importDefault(require("../base/JSONSchemaDataProvider"));
+class HubbardContextProvider extends JSONSchemaDataProvider_1.default {
+    constructor(contextItem, externalContext) {
+        var _a, _b, _c;
+        super(contextItem, externalContext);
+        this.domain = "important";
+        this.entityName = "unit";
+        this.orbitalList = [
+            "2p",
+            "3s",
+            "3p",
+            "3d",
+            "4s",
+            "4p",
+            "4d",
+            "4f",
+            "5s",
+            "5p",
+            "5d",
+            "5f",
+            "6s",
+            "6p",
+            "6d",
+            "7s",
+            "7p",
+            "7d",
+        ];
+        this.initMaterialContextMixin(externalContext);
+        this.uniqueElementsWithLabels = [
+            ...new Set(((_a = this.material.Basis) === null || _a === void 0 ? void 0 : _a.elementsWithLabelsArray) || []),
+        ];
+        this.firstElement =
+            ((_b = this.uniqueElementsWithLabels) === null || _b === void 0 ? void 0 : _b.length) > 0 ? this.uniqueElementsWithLabels[0] : "";
+        this.secondSpecies =
+            ((_c = this.uniqueElementsWithLabels) === null || _c === void 0 ? void 0 : _c.length) > 1
+                ? this.uniqueElementsWithLabels[1]
+                : this.firstElement;
+    }
+}
+(0, MaterialContextMixin_1.default)(HubbardContextProvider.prototype);
+exports.default = HubbardContextProvider;

package/dist/js/context/providers/Hubbard/HubbardJContextManager.d.ts

@@ -0,0 +1,22 @@
+import type { HubbardJContextItemSchema, HubbardJContextProviderSchema } from "@mat3ra/esse/dist/js/types";
+import type { JSONSchema7 } from "json-schema";
+import type { UnitContext } from "../base/ContextProvider";
+import HubbardContextProvider, { type HubbardExternalContext } from "./HubbardContextProvider";
+type Schema = HubbardJContextItemSchema;
+type Data = HubbardJContextProviderSchema;
+export default class HubbardJContextManager extends HubbardContextProvider<Schema> {
+    readonly name: "hubbard_j";
+    readonly entityName: "unit";
+    static createFromUnitContext(unitContext: UnitContext, externalContext: HubbardExternalContext): HubbardJContextManager;
+    readonly uiSchemaStyled: {
+        readonly "ui:options": {
+            readonly addable: true;
+            readonly orderable: true;
+            readonly removable: true;
+        };
+    };
+    readonly jsonSchema: JSONSchema7;
+    constructor(contextItem: Partial<Schema>, externalContext: HubbardExternalContext);
+    getDefaultData(): Data;
+}
+export {};

package/dist/js/context/providers/Hubbard/HubbardJContextManager.js

@@ -0,0 +1,61 @@
+"use strict";
+var __importDefault = (this && this.__importDefault) || function (mod) {
+    return (mod && mod.__esModule) ? mod : { "default": mod };
+};
+Object.defineProperty(exports, "__esModule", { value: true });
+const JSONSchemasInterface_1 = __importDefault(require("@mat3ra/esse/dist/js/esse/JSONSchemasInterface"));
+const HubbardContextProvider_1 = __importDefault(require("./HubbardContextProvider"));
+const defaultHubbardConfig = {
+    paramType: "J",
+    atomicSpecies: "",
+    atomicOrbital: "2p",
+    value: 1.0,
+};
+const jsonSchemaId = "context-providers-directory/hubbard-j-context-provider";
+class HubbardJContextManager extends HubbardContextProvider_1.default {
+    static createFromUnitContext(unitContext, externalContext) {
+        const contextItem = this.findContextItem(unitContext, "hubbard_j");
+        return new HubbardJContextManager(contextItem, externalContext);
+    }
+    constructor(contextItem, externalContext) {
+        super(contextItem, externalContext);
+        this.name = "hubbard_j";
+        this.entityName = "unit";
+        this.uiSchemaStyled = {
+            "ui:options": {
+                addable: true,
+                orderable: true,
+                removable: true,
+            },
+        };
+        const jsonSchema = JSONSchemasInterface_1.default.getPatchedSchemaById(jsonSchemaId, {
+            "items.properties.paramType": {
+                default: defaultHubbardConfig.paramType,
+            },
+            "items.properties.atomicSpecies": {
+                enum: this.uniqueElementsWithLabels,
+                default: this.firstElement,
+            },
+            "items.properties.atomicOrbital": {
+                enum: this.orbitalList,
+                default: defaultHubbardConfig.atomicOrbital,
+            },
+            "items.properties.value": {
+                default: defaultHubbardConfig.value,
+            },
+        });
+        if (!jsonSchema) {
+            throw new Error("Failed to get patched JSON schema");
+        }
+        this.jsonSchema = jsonSchema;
+    }
+    getDefaultData() {
+        return [
+            {
+                ...defaultHubbardConfig,
+                atomicSpecies: this.firstElement,
+            },
+        ];
+    }
+}
+exports.default = HubbardJContextManager;

package/dist/js/context/providers/Hubbard/HubbardUContextManager.d.ts

@@ -0,0 +1,22 @@
+import type { HubbardUContextItemSchema, HubbardUContextProviderSchema } from "@mat3ra/esse/dist/js/types";
+import type { JSONSchema7 } from "json-schema";
+import type { UnitContext } from "../base/ContextProvider";
+import HubbardContextProvider, { type HubbardExternalContext } from "./HubbardContextProvider";
+type Schema = HubbardUContextItemSchema;
+type Data = HubbardUContextProviderSchema;
+export default class HubbardUContextManager extends HubbardContextProvider<Schema> {
+    readonly name: "hubbard_u";
+    readonly entityName: "unit";
+    static createFromUnitContext(unitContext: UnitContext, externalContext: HubbardExternalContext): HubbardUContextManager;
+    readonly uiSchemaStyled: {
+        readonly "ui:options": {
+            readonly addable: true;
+            readonly orderable: false;
+            readonly removable: true;
+        };
+    };
+    readonly jsonSchema: JSONSchema7;
+    constructor(contextItem: Partial<Schema>, externalContext: HubbardExternalContext);
+    getDefaultData(): Data;
+}
+export {};

package/dist/js/context/providers/Hubbard/HubbardUContextManager.js

@@ -0,0 +1,57 @@
+"use strict";
+var __importDefault = (this && this.__importDefault) || function (mod) {
+    return (mod && mod.__esModule) ? mod : { "default": mod };
+};
+Object.defineProperty(exports, "__esModule", { value: true });
+const JSONSchemasInterface_1 = __importDefault(require("@mat3ra/esse/dist/js/esse/JSONSchemasInterface"));
+const HubbardContextProvider_1 = __importDefault(require("./HubbardContextProvider"));
+const defaultHubbardConfig = {
+    atomicSpecies: "",
+    atomicOrbital: "2p",
+    hubbardUValue: 1.0,
+};
+const jsonSchemaId = "context-providers-directory/hubbard-u-context-provider";
+class HubbardUContextManager extends HubbardContextProvider_1.default {
+    static createFromUnitContext(unitContext, externalContext) {
+        const contextItem = this.findContextItem(unitContext, "hubbard_u");
+        return new HubbardUContextManager(contextItem, externalContext);
+    }
+    constructor(contextItem, externalContext) {
+        super(contextItem, externalContext);
+        this.name = "hubbard_u";
+        this.entityName = "unit";
+        this.uiSchemaStyled = {
+            "ui:options": {
+                addable: true,
+                orderable: false,
+                removable: true,
+            },
+        };
+        const jsonSchema = JSONSchemasInterface_1.default.getPatchedSchemaById(jsonSchemaId, {
+            "items.properties.atomicSpecies": {
+                enum: this.uniqueElementsWithLabels,
+                default: this.firstElement,
+            },
+            "items.properties.atomicOrbital": {
+                enum: this.orbitalList,
+                default: defaultHubbardConfig.atomicOrbital,
+            },
+            "items.properties.hubbardUValue": {
+                default: defaultHubbardConfig.hubbardUValue,
+            },
+        });
+        if (!jsonSchema) {
+            throw new Error("Failed to get patched JSON schema");
+        }
+        this.jsonSchema = jsonSchema;
+    }
+    getDefaultData() {
+        return [
+            {
+                ...defaultHubbardConfig,
+                atomicSpecies: this.firstElement,
+            },
+        ];
+    }
+}
+exports.default = HubbardUContextManager;

package/dist/js/context/providers/Hubbard/HubbardVContextManager.d.ts

@@ -0,0 +1,22 @@
+import type { HubbardVContextItemSchema, HubbardVContextProviderSchema } from "@mat3ra/esse/dist/js/types";
+import type { JSONSchema7 } from "json-schema";
+import type { UnitContext } from "../base/ContextProvider";
+import HubbardContextProvider, { type HubbardExternalContext } from "./HubbardContextProvider";
+type Schema = HubbardVContextItemSchema;
+type Data = HubbardVContextProviderSchema;
+export default class HubbardVContextManager extends HubbardContextProvider<Schema> {
+    readonly name: "hubbard_v";
+    readonly entityName: "unit";
+    static createFromUnitContext(unitContext: UnitContext, externalContext: HubbardExternalContext): HubbardVContextManager;
+    readonly uiSchemaStyled: {
+        readonly "ui:options": {
+            readonly addable: true;
+            readonly orderable: true;
+            readonly removable: true;
+        };
+    };
+    readonly jsonSchema: JSONSchema7;
+    constructor(contextItem: Partial<Schema>, externalContext: HubbardExternalContext);
+    getDefaultData(): Data;
+}
+export {};

package/dist/js/context/providers/Hubbard/HubbardVContextManager.js

@@ -0,0 +1,79 @@
+"use strict";
+var __importDefault = (this && this.__importDefault) || function (mod) {
+    return (mod && mod.__esModule) ? mod : { "default": mod };
+};
+Object.defineProperty(exports, "__esModule", { value: true });
+const JSONSchemasInterface_1 = __importDefault(require("@mat3ra/esse/dist/js/esse/JSONSchemasInterface"));
+const HubbardContextProvider_1 = __importDefault(require("./HubbardContextProvider"));
+const defaultHubbardConfig = {
+    atomicSpecies: "",
+    atomicOrbital: "2p",
+    atomicSpecies2: "",
+    atomicOrbital2: "2p",
+    siteIndex: 1,
+    siteIndex2: 1,
+    hubbardVValue: 1.0,
+};
+const jsonSchemaId = "context-providers-directory/hubbard-v-context-provider";
+class HubbardVContextManager extends HubbardContextProvider_1.default {
+    static createFromUnitContext(unitContext, externalContext) {
+        const contextItem = this.findContextItem(unitContext, "hubbard_v");
+        return new HubbardVContextManager(contextItem, externalContext);
+    }
+    constructor(contextItem, externalContext) {
+        var _a;
+        super(contextItem, externalContext);
+        this.name = "hubbard_v";
+        this.entityName = "unit";
+        this.uiSchemaStyled = {
+            "ui:options": {
+                addable: true,
+                orderable: true,
+                removable: true,
+            },
+        };
+        const jsonSchema = JSONSchemasInterface_1.default.getPatchedSchemaById(jsonSchemaId, {
+            "items.properties.atomicSpecies": {
+                enum: this.uniqueElementsWithLabels,
+                default: this.firstElement,
+            },
+            "items.properties.siteIndex": {
+                default: defaultHubbardConfig.siteIndex,
+            },
+            "items.properties.atomicOrbital": {
+                enum: this.orbitalList,
+                default: defaultHubbardConfig.atomicOrbital,
+            },
+            "items.properties.atomicSpecies2": {
+                enum: this.uniqueElementsWithLabels,
+                default: this.secondSpecies,
+            },
+            "items.properties.siteIndex2": {
+                default: ((_a = this.uniqueElementsWithLabels) === null || _a === void 0 ? void 0 : _a.length) > 1 ? 2 : defaultHubbardConfig.siteIndex2,
+            },
+            "items.properties.atomicOrbital2": {
+                enum: this.orbitalList,
+                default: defaultHubbardConfig.atomicOrbital,
+            },
+            "items.properties.hubbardVValue": {
+                default: defaultHubbardConfig.hubbardVValue,
+            },
+        });
+        if (!jsonSchema) {
+            throw new Error("Failed to get patched JSON schema");
+        }
+        this.jsonSchema = jsonSchema;
+    }
+    getDefaultData() {
+        var _a;
+        return [
+            {
+                ...defaultHubbardConfig,
+                atomicSpecies: this.firstElement,
+                atomicSpecies2: this.secondSpecies,
+                siteIndex2: ((_a = this.uniqueElementsWithLabels) === null || _a === void 0 ? void 0 : _a.length) > 1 ? 2 : defaultHubbardConfig.siteIndex2,
+            },
+        ];
+    }
+}
+exports.default = HubbardVContextManager;

package/dist/js/context/providers/IonDynamicsDataManager.d.ts

@@ -0,0 +1,27 @@
+import type { DynamicsContextItemSchema } from "@mat3ra/esse/dist/js/types";
+import type { JSONSchema7 } from "json-schema";
+import type { BaseExternalContext, UnitContext } from "./base/ContextProvider";
+import JSONSchemaFormDataProvider from "./base/JSONSchemaFormDataProvider";
+type Schema = DynamicsContextItemSchema;
+export default class IonDynamicsDataManager extends JSONSchemaFormDataProvider<Schema> {
+    readonly name: "dynamics";
+    readonly domain: "important";
+    readonly entityName: "unit";
+    static createFromUnitContext(unitContext: UnitContext, externalContext: BaseExternalContext): IonDynamicsDataManager;
+    readonly uiSchema: {
+        readonly numberOfSteps: {};
+        readonly timeStep: {};
+        readonly electronMass: {};
+        readonly temperature: {};
+    };
+    readonly extraData: {};
+    readonly jsonSchema: JSONSchema7;
+    constructor(contextItem: Partial<Schema>, externalContext: BaseExternalContext);
+    getDefaultData(): {
+        numberOfSteps: number;
+        timeStep: number;
+        electronMass: number;
+        temperature: number;
+    };
+}
+export {};

package/dist/js/context/providers/IonDynamicsDataManager.js

@@ -0,0 +1,48 @@
+"use strict";
+var __importDefault = (this && this.__importDefault) || function (mod) {
+    return (mod && mod.__esModule) ? mod : { "default": mod };
+};
+Object.defineProperty(exports, "__esModule", { value: true });
+const JSONSchemasInterface_1 = __importDefault(require("@mat3ra/esse/dist/js/esse/JSONSchemasInterface"));
+const JSONSchemaFormDataProvider_1 = __importDefault(require("./base/JSONSchemaFormDataProvider"));
+const jsonSchemaId = "context-providers-directory/ion-dynamics-context-provider";
+const defaultData = {
+    numberOfSteps: 100,
+    timeStep: 5.0,
+    electronMass: 100.0,
+    temperature: 300.0,
+};
+class IonDynamicsDataManager extends JSONSchemaFormDataProvider_1.default {
+    static createFromUnitContext(unitContext, externalContext) {
+        const contextItem = this.findContextItem(unitContext, "dynamics");
+        return new IonDynamicsDataManager(contextItem, externalContext);
+    }
+    constructor(contextItem, externalContext) {
+        super(contextItem, externalContext);
+        this.name = "dynamics";
+        this.domain = "important";
+        this.entityName = "unit";
+        this.uiSchema = {
+            numberOfSteps: {},
+            timeStep: {},
+            electronMass: {},
+            temperature: {},
+        };
+        this.extraData = {};
+        const jsonSchema = JSONSchemasInterface_1.default.getPatchedSchemaById(jsonSchemaId, {
+            numberOfSteps: { default: defaultData.numberOfSteps },
+            timeStep: { default: defaultData.timeStep },
+            electronMass: { default: defaultData.electronMass },
+            temperature: { default: defaultData.temperature },
+        });
+        if (!jsonSchema) {
+            throw new Error("Failed to get patched JSON schema");
+        }
+        this.jsonSchema = jsonSchema;
+    }
+    // eslint-disable-next-line class-methods-use-this
+    getDefaultData() {
+        return defaultData;
+    }
+}
+exports.default = IonDynamicsDataManager;