@mat3ra/esse 2026.8.13-0 → 2026.8.18-0

package/dist/js/types.js

@@ -1,91 +0,0 @@
-"use strict";
-/** Schema dist/js/schema/apse/db/materials_project/2025.9.25/summary.json */
-Object.defineProperty(exports, "__esModule", { value: true });
-exports.ConvergenceParameterNameEnum = exports.Action = exports.Type = exports.ContextProviderNameEnum = exports.Name = void 0;
-var Name;
-(function (Name) {
-    Name["PlanewaveCutoffDataManager"] = "PlanewaveCutoffDataManager";
-    Name["KGridFormDataManager"] = "KGridFormDataManager";
-    Name["QGridFormDataManager"] = "QGridFormDataManager";
-    Name["IGridFormDataManager"] = "IGridFormDataManager";
-    Name["QPathFormDataManager"] = "QPathFormDataManager";
-    Name["IPathFormDataManager"] = "IPathFormDataManager";
-    Name["KPathFormDataManager"] = "KPathFormDataManager";
-    Name["ExplicitKPathFormDataManager"] = "ExplicitKPathFormDataManager";
-    Name["ExplicitKPath2PIBAFormDataManager"] = "ExplicitKPath2PIBAFormDataManager";
-    Name["HubbardJContextManager"] = "HubbardJContextManager";
-    Name["HubbardUContextManager"] = "HubbardUContextManager";
-    Name["HubbardVContextManager"] = "HubbardVContextManager";
-    Name["HubbardContextManagerLegacy"] = "HubbardContextManagerLegacy";
-    Name["NEBFormDataManager"] = "NEBFormDataManager";
-    Name["BoundaryConditionsFormDataManager"] = "BoundaryConditionsFormDataManager";
-    Name["MLSettingsDataManager"] = "MLSettingsDataManager";
-    Name["MLTrainTestSplitDataManager"] = "MLTrainTestSplitDataManager";
-    Name["IonDynamicsContextProvider"] = "IonDynamicsContextProvider";
-    Name["CollinearMagnetizationDataManager"] = "CollinearMagnetizationDataManager";
-    Name["NonCollinearMagnetizationDataManager"] = "NonCollinearMagnetizationDataManager";
-    Name["QEPWXInputDataManager"] = "QEPWXInputDataManager";
-    Name["QENEBInputDataManager"] = "QENEBInputDataManager";
-    Name["VASPInputDataManager"] = "VASPInputDataManager";
-    Name["VASPNEBInputDataManager"] = "VASPNEBInputDataManager";
-    Name["NWChemInputDataManager"] = "NWChemInputDataManager";
-})(Name || (exports.Name = Name = {}));
-/**
- * This interface was referenced by `ContextProvidersDirectoryEnum`'s JSON-Schema
- * via the `definition` "ContextProviderNameEnum".
- */
-var ContextProviderNameEnum;
-(function (ContextProviderNameEnum) {
-    ContextProviderNameEnum["PlanewaveCutoffDataManager"] = "PlanewaveCutoffDataManager";
-    ContextProviderNameEnum["KGridFormDataManager"] = "KGridFormDataManager";
-    ContextProviderNameEnum["QGridFormDataManager"] = "QGridFormDataManager";
-    ContextProviderNameEnum["IGridFormDataManager"] = "IGridFormDataManager";
-    ContextProviderNameEnum["QPathFormDataManager"] = "QPathFormDataManager";
-    ContextProviderNameEnum["IPathFormDataManager"] = "IPathFormDataManager";
-    ContextProviderNameEnum["KPathFormDataManager"] = "KPathFormDataManager";
-    ContextProviderNameEnum["ExplicitKPathFormDataManager"] = "ExplicitKPathFormDataManager";
-    ContextProviderNameEnum["ExplicitKPath2PIBAFormDataManager"] = "ExplicitKPath2PIBAFormDataManager";
-    ContextProviderNameEnum["HubbardJContextManager"] = "HubbardJContextManager";
-    ContextProviderNameEnum["HubbardUContextManager"] = "HubbardUContextManager";
-    ContextProviderNameEnum["HubbardVContextManager"] = "HubbardVContextManager";
-    ContextProviderNameEnum["HubbardContextManagerLegacy"] = "HubbardContextManagerLegacy";
-    ContextProviderNameEnum["NEBFormDataManager"] = "NEBFormDataManager";
-    ContextProviderNameEnum["BoundaryConditionsFormDataManager"] = "BoundaryConditionsFormDataManager";
-    ContextProviderNameEnum["MLSettingsDataManager"] = "MLSettingsDataManager";
-    ContextProviderNameEnum["MLTrainTestSplitDataManager"] = "MLTrainTestSplitDataManager";
-    ContextProviderNameEnum["IonDynamicsContextProvider"] = "IonDynamicsContextProvider";
-    ContextProviderNameEnum["CollinearMagnetizationDataManager"] = "CollinearMagnetizationDataManager";
-    ContextProviderNameEnum["NonCollinearMagnetizationDataManager"] = "NonCollinearMagnetizationDataManager";
-    ContextProviderNameEnum["QEPWXInputDataManager"] = "QEPWXInputDataManager";
-    ContextProviderNameEnum["QENEBInputDataManager"] = "QENEBInputDataManager";
-    ContextProviderNameEnum["VASPInputDataManager"] = "VASPInputDataManager";
-    ContextProviderNameEnum["VASPNEBInputDataManager"] = "VASPNEBInputDataManager";
-    ContextProviderNameEnum["NWChemInputDataManager"] = "NWChemInputDataManager";
-})(ContextProviderNameEnum || (exports.ContextProviderNameEnum = ContextProviderNameEnum = {}));
-/**
- * The type of the message to distinguish the direction of the message.
- */
-var Type;
-(function (Type) {
-    Type["fromIframeToHost"] = "from-iframe-to-host";
-    Type["fromHostToIframe"] = "from-host-to-iframe";
-})(Type || (exports.Type = Type = {}));
-/**
- * The action to be performed upon receiving the message.
- */
-var Action;
-(function (Action) {
-    Action["setData"] = "set-data";
-    Action["getData"] = "get-data";
-    Action["info"] = "info";
-})(Action || (exports.Action = Action = {}));
-/**
- * This interface was referenced by `WorkflowSubworkflowConvergenceEnumOptions`'s JSON-Schema
- * via the `definition` "ConvergenceParameterNameEnum".
- */
-var ConvergenceParameterNameEnum;
-(function (ConvergenceParameterNameEnum) {
-    ConvergenceParameterNameEnum["N_k"] = "N_k";
-    ConvergenceParameterNameEnum["N_k_nonuniform"] = "N_k_nonuniform";
-    ConvergenceParameterNameEnum["N_k_nonuniform_2D"] = "N_k_nonuniform_2D";
-})(ConvergenceParameterNameEnum || (exports.ConvergenceParameterNameEnum = ConvergenceParameterNameEnum = {}));

package/dist/js/utils/ajv.d.ts

@@ -1,34 +0,0 @@
-import { SchemaObject } from "ajv";
-import { AnyValidateFunction } from "ajv/dist/core";
-import { AnyObject } from "../esse/types";
-interface AjvInstanceOptions {
-    clean: boolean;
-    coerceTypes: boolean;
-    useDefaults: boolean;
-}
-export declare function getValidator(jsonSchema: SchemaObject, { clean, coerceTypes, useDefaults, }: Omit<AjvInstanceOptions, "useDefaults"> & Partial<Pick<AjvInstanceOptions, "useDefaults">>): AnyValidateFunction;
-/**
- * Validates a given example against the schema.
- * @param example example to validate.
- * @param schema schema to validate the example with.
- * @returns whether example is valid.
- */
-export declare function validate(data: AnyObject, jsonSchema: SchemaObject): {
-    isValid: boolean | Promise<any>;
-    errors: import("ajv").ErrorObject<string, Record<string, any>, unknown>[] | null | undefined;
-};
-/**
- * Validates and cleans data against the schema.
- * Drops null properties first (empty strings kept for entity placeholders), then AJV removeAdditional.
- * @param data data to validate (mutated in place).
- * @param jsonSchema schema to validate the data with.
- * @returns whether data is valid.
- */
-export declare function validateAndClean(data: AnyObject, jsonSchema: SchemaObject, { coerceTypes, useDefaults }?: {
-    coerceTypes?: boolean | undefined;
-    useDefaults?: boolean | undefined;
-}): {
-    isValid: boolean | Promise<any>;
-    errors: import("ajv").ErrorObject<string, Record<string, any>, unknown>[] | null | undefined;
-};
-export { removeEmptyAndNullProperties } from "./removeEmptyAndNullProperties";

package/dist/js/utils/ajv.js

@@ -1,125 +0,0 @@
-"use strict";
-var __importDefault = (this && this.__importDefault) || function (mod) {
-    return (mod && mod.__esModule) ? mod : { "default": mod };
-};
-Object.defineProperty(exports, "__esModule", { value: true });
-exports.removeEmptyAndNullProperties = void 0;
-exports.getValidator = getValidator;
-exports.validate = validate;
-exports.validateAndClean = validateAndClean;
-const ajv_1 = __importDefault(require("ajv"));
-const ajv_formats_1 = __importDefault(require("ajv-formats"));
-const schemaUtils_1 = require("../esse/schemaUtils");
-const jsonSchemaToTypescriptKeywords_1 = __importDefault(require("./ajvKeywords/jsonSchemaToTypescriptKeywords"));
-const removeEmptyAndNullProperties_1 = require("./removeEmptyAndNullProperties");
-function addAdditionalPropertiesToSchema(schema, additionalProperties = false) {
-    return (0, schemaUtils_1.mapObjectDeep)(schema, (object) => {
-        const schema = object;
-        if (typeof object === "object" &&
-            (schema === null || schema === void 0 ? void 0 : schema.type) === "object" &&
-            (schema === null || schema === void 0 ? void 0 : schema.properties) &&
-            !("additionalProperties" in schema)) {
-            return {
-                ...schema,
-                additionalProperties,
-                unevaluatedProperties: false,
-            };
-        }
-    });
-}
-const ajvConfig = {
-    strict: false, // TODO: adjust schemas and enable strict mode
-    useDefaults: true,
-    /**
-     * discriminator fixes default values in oneOf
-     * @see https://ajv.js.org/guide/modifying-data.html#assigning-defaults
-     */
-    discriminator: true,
-};
-const ajvValidator = new ajv_1.default({ ...ajvConfig });
-const ajvValidatorAndCleaner = new ajv_1.default({ ...ajvConfig, removeAdditional: true });
-const ajvValidatorAndCleanerNoDefaults = new ajv_1.default({
-    ...ajvConfig,
-    removeAdditional: true,
-    useDefaults: false,
-});
-const ajvValidatorAndCleanerWithCoercingTypes = new ajv_1.default({
-    ...ajvConfig,
-    removeAdditional: true,
-    coerceTypes: true,
-});
-const ajvValidatorAndCleanerWithCoercingTypesNoDefaults = new ajv_1.default({
-    ...ajvConfig,
-    removeAdditional: true,
-    coerceTypes: true,
-    useDefaults: false,
-});
-const ajvInstances = [
-    ajvValidator,
-    ajvValidatorAndCleaner,
-    ajvValidatorAndCleanerNoDefaults,
-    ajvValidatorAndCleanerWithCoercingTypes,
-    ajvValidatorAndCleanerWithCoercingTypesNoDefaults,
-];
-ajvInstances.forEach((instance) => {
-    (0, ajv_formats_1.default)(instance);
-    (0, jsonSchemaToTypescriptKeywords_1.default)(instance);
-});
-function getAjvInstance({ clean, coerceTypes, useDefaults }) {
-    if (clean && coerceTypes) {
-        return useDefaults
-            ? ajvValidatorAndCleanerWithCoercingTypes
-            : ajvValidatorAndCleanerWithCoercingTypesNoDefaults;
-    }
-    if (clean) {
-        return useDefaults ? ajvValidatorAndCleaner : ajvValidatorAndCleanerNoDefaults;
-    }
-    return ajvValidator;
-}
-function getValidator(jsonSchema, { clean, coerceTypes, useDefaults = true, }) {
-    const schemaKey = jsonSchema.$id;
-    const ajv = getAjvInstance({ clean, coerceTypes, useDefaults });
-    let validate = ajv.getSchema(schemaKey);
-    if (!validate) {
-        // properties that were not defined in schema will be ignored when clean = false
-        const patchedSchema = clean ? addAdditionalPropertiesToSchema(jsonSchema) : jsonSchema;
-        ajv.addSchema(patchedSchema, schemaKey);
-        validate = ajv.getSchema(schemaKey);
-    }
-    if (!validate) {
-        throw new Error("JSONSchemasInterface AJV validator error");
-    }
-    return validate;
-}
-/**
- * Validates a given example against the schema.
- * @param example example to validate.
- * @param schema schema to validate the example with.
- * @returns whether example is valid.
- */
-function validate(data, jsonSchema) {
-    const validator = getValidator(jsonSchema, { clean: false, coerceTypes: false });
-    const isValid = validator(data);
-    return {
-        isValid,
-        errors: validator.errors,
-    };
-}
-/**
- * Validates and cleans data against the schema.
- * Drops null properties first (empty strings kept for entity placeholders), then AJV removeAdditional.
- * @param data data to validate (mutated in place).
- * @param jsonSchema schema to validate the data with.
- * @returns whether data is valid.
- */
-function validateAndClean(data, jsonSchema, { coerceTypes = false, useDefaults = true } = {}) {
-    (0, removeEmptyAndNullProperties_1.removeEmptyAndNullProperties)(data);
-    const validator = getValidator(jsonSchema, { clean: true, coerceTypes, useDefaults });
-    const isValid = validator(data);
-    return {
-        isValid,
-        errors: validator.errors,
-    };
-}
-var removeEmptyAndNullProperties_2 = require("./removeEmptyAndNullProperties");
-Object.defineProperty(exports, "removeEmptyAndNullProperties", { enumerable: true, get: function () { return removeEmptyAndNullProperties_2.removeEmptyAndNullProperties; } });

package/dist/js/utils/ajvKeywords/jsonSchemaToTypescriptKeywords.d.ts

@@ -1,7 +0,0 @@
-import type Ajv from "ajv";
-/**
- * Schemas include json-schema-to-typescript hints (`tsType`, `tsEnumNames`, …).
- * Ajv strict mode rejects unknown keywords; register them as no-ops so the same schemas work for
- * runtime validation.
- */
-export default function addJsonSchemaToTypescriptKeywords(ajv: Ajv): void;

package/dist/js/utils/ajvKeywords/jsonSchemaToTypescriptKeywords.js

@@ -1,21 +0,0 @@
-"use strict";
-Object.defineProperty(exports, "__esModule", { value: true });
-exports.default = addJsonSchemaToTypescriptKeywords;
-/**
- * Schemas include json-schema-to-typescript hints (`tsType`, `tsEnumNames`, …).
- * Ajv strict mode rejects unknown keywords; register them as no-ops so the same schemas work for
- * runtime validation.
- */
-function addJsonSchemaToTypescriptKeywords(ajv) {
-    const validateNoop = () => true;
-    ajv.addKeyword({
-        keyword: "tsType",
-        validate: validateNoop,
-        errors: false,
-    });
-    ajv.addKeyword({
-        keyword: "tsEnumNames",
-        validate: validateNoop,
-        errors: false,
-    });
-}

package/dist/js/utils/common.d.ts

@@ -1,6 +0,0 @@
-export declare function isInstanceOf(object: object, type: "Array"): object is object[];
-export declare function isInstanceOf(object: object, type: "Object"): object is object;
-/**
- * Makes sure that text representing arrays is parsed into Arrays.
- */
-export declare function safeParseJSON(string: string): any;

package/dist/js/utils/common.js

@@ -1,14 +0,0 @@
-"use strict";
-Object.defineProperty(exports, "__esModule", { value: true });
-exports.isInstanceOf = isInstanceOf;
-exports.safeParseJSON = safeParseJSON;
-function isInstanceOf(object, type) {
-    return Object.prototype.toString.call(object).slice(8, -1) === type;
-}
-/**
- * Makes sure that text representing arrays is parsed into Arrays.
- */
-function safeParseJSON(string) {
-    const obj = JSON.parse(string);
-    return string[0] === "[" ? Object.keys(obj).map((key) => obj[key]) : obj;
-}

package/dist/js/utils/filesystem.d.ts

@@ -1,2 +0,0 @@
-export declare function walkDir(dir: string, callback: (itemPath: string) => void | Promise<void>): Promise<void>;
-export declare function walkDirSync(dir: string, callback: (itemPath: string) => void): void;

package/dist/js/utils/filesystem.js

@@ -1,37 +0,0 @@
-"use strict";
-var __importDefault = (this && this.__importDefault) || function (mod) {
-    return (mod && mod.__esModule) ? mod : { "default": mod };
-};
-Object.defineProperty(exports, "__esModule", { value: true });
-exports.walkDir = walkDir;
-exports.walkDirSync = walkDirSync;
-/* eslint-disable no-await-in-loop */
-/* eslint-disable no-restricted-syntax */
-const fs_1 = __importDefault(require("fs"));
-const path_1 = __importDefault(require("path"));
-async function walkDir(dir, callback) {
-    const subDirs = await fs_1.default.promises.readdir(dir);
-    for (const subDir of subDirs) {
-        const itemPath = path_1.default.join(dir, subDir);
-        const stat = await fs_1.default.promises.stat(itemPath);
-        if (stat.isDirectory()) {
-            await walkDir(itemPath, callback);
-        }
-        else {
-            await callback(itemPath);
-        }
-    }
-}
-function walkDirSync(dir, callback) {
-    const subDirs = fs_1.default.readdirSync(dir);
-    for (const subDir of subDirs) {
-        const itemPath = path_1.default.join(dir, subDir);
-        const stat = fs_1.default.statSync(itemPath);
-        if (stat.isDirectory()) {
-            walkDirSync(itemPath, callback);
-        }
-        else {
-            callback(itemPath);
-        }
-    }
-}

package/dist/js/utils/removeEmptyAndNullProperties.d.ts

@@ -1,9 +0,0 @@
-export type AnyObject = Record<string, any>;
-/**
- * Recursively removes null properties from an object.
- * Empty strings are preserved (entity schemas use "" as intentional placeholders, e.g. flowchart links).
- * Nested objects are cleaned in place; array elements are walked but not removed.
- * @param obj The object to clean
- * @returns The cleaned object (mutates the original)
- */
-export declare function removeEmptyAndNullProperties(obj: AnyObject): AnyObject;

package/dist/js/utils/removeEmptyAndNullProperties.js

@@ -1,29 +0,0 @@
-"use strict";
-Object.defineProperty(exports, "__esModule", { value: true });
-exports.removeEmptyAndNullProperties = removeEmptyAndNullProperties;
-/**
- * Recursively removes null properties from an object.
- * Empty strings are preserved (entity schemas use "" as intentional placeholders, e.g. flowchart links).
- * Nested objects are cleaned in place; array elements are walked but not removed.
- * @param obj The object to clean
- * @returns The cleaned object (mutates the original)
- */
-function removeEmptyAndNullProperties(obj) {
-    if (typeof obj !== "object" || obj === null) {
-        return obj;
-    }
-    if (Array.isArray(obj)) {
-        obj.forEach((item) => removeEmptyAndNullProperties(item));
-        return obj;
-    }
-    Object.keys(obj).forEach((key) => {
-        const value = obj[key];
-        if (value === null) {
-            delete obj[key];
-        }
-        else if (typeof value === "object") {
-            removeEmptyAndNullProperties(value);
-        }
-    });
-    return obj;
-}

package/docs/README.md

@@ -1,3 +0,0 @@
-# Overview
-
-This folder is used for the fully-built (without "$ref", "$allOf", "include()" statements) JSON assets and is populated by the [build_schemas.js](../build_schemas.js) (with and appropriate flag).