@mat3ra/esse 2024.4.19-0 → 2024.6.4-0

package/dist/js/scripts/compileTs.js

@@ -1,9 +1,7 @@
 "use strict";
-var __importDefault =
-    (this && this.__importDefault) ||
-    function (mod) {
-        return mod && mod.__esModule ? mod : { default: mod };
-    };
+var __importDefault = (this && this.__importDefault) || function (mod) {
+    return (mod && mod.__esModule) ? mod : { "default": mod };
+};
 Object.defineProperty(exports, "__esModule", { value: true });
 const fs_1 = __importDefault(require("fs"));
 const json_schema_to_typescript_1 = require("json-schema-to-typescript");
@@ -49,11 +47,7 @@ const filesystem_1 = require("../utils/filesystem");
 function cleanSchema(schema) {
     let firstRun = true;
     return (0, schemaUtils_1.mapObjectDeep)(schema, (object) => {
-        if (
-            typeof object === "object" &&
-            (object === null || object === void 0 ? void 0 : object.title) &&
-            !firstRun
-        ) {
+        if (typeof object === "object" && (object === null || object === void 0 ? void 0 : object.title) && !firstRun) {
             firstRun = false;
             // eslint-disable-next-line @typescript-eslint/no-unused-vars
             const { title, $schema, ...restObject } = object;
@@ -65,7 +59,8 @@ function cleanSchema(schema) {
 async function compileTS(schemaPath, savePath) {
     try {
         await fs_1.default.promises.unlink(savePath);
-    } catch (err) {
+    }
+    catch (err) {
         console.log("File with types not exists");
     }
     await (0, filesystem_1.walkDir)(schemaPath, async (filePath) => {
@@ -73,16 +68,12 @@ async function compileTS(schemaPath, savePath) {
         const schema = cleanSchema(JSON.parse(data));
         console.log(`Compiling Typescript: ${filePath}`);
         // @ts-ignore
-        const compiledSchema = await (0, json_schema_to_typescript_1.compile)(
-            schema,
-            schema.title || "",
-            {
-                unreachableDefinitions: true,
-                additionalProperties: false,
-                enableConstEnums: false,
-                bannerComment: `/** Schema ${filePath} */`,
-            },
-        );
+        const compiledSchema = await (0, json_schema_to_typescript_1.compile)(schema, schema.title || "", {
+            unreachableDefinitions: true,
+            additionalProperties: false,
+            enableConstEnums: false,
+            bannerComment: `/** Schema ${filePath} */`,
+        });
         await fs_1.default.promises.appendFile(savePath, `${compiledSchema} \n`, { flag: "a+" });
     });
 }

package/dist/js/types.d.ts

@@ -10839,7 +10839,7 @@ export interface PseudopotentialCategorySchema {
          * machine-readable identifier
          */
         slug: string;
-    } | string) & ("us" | "nc" | "paw" | "coulomb");
+    } | string) & ("us" | "nc" | "nc-fr" | "paw" | "coulomb");
     /**
      * contains either object with slugified entry or slug only as a string
      */
@@ -12270,7 +12270,7 @@ export interface PseudopotentialFile {
          * MD5 hash of the pseudopotential file
          */
         hash?: string;
-        type: "us" | "nc" | "paw" | "coulomb";
+        type: "us" | "nc" | "nc-fr" | "paw" | "coulomb";
         /**
          * explains where this came from
          */
@@ -12341,7 +12341,7 @@ export interface FileDataItem {
      * MD5 hash of the pseudopotential file
      */
     hash?: string;
-    type: "us" | "nc" | "paw" | "coulomb";
+    type: "us" | "nc" | "nc-fr" | "paw" | "coulomb";
     /**
      * explains where this came from
      */
@@ -12428,7 +12428,7 @@ export interface UnitMethodPseudopotential {
              * machine-readable identifier
              */
             slug: string;
-        } | string) & ("us" | "nc" | "paw" | "coulomb");
+        } | string) & ("us" | "nc" | "nc-fr" | "paw" | "coulomb");
         /**
          * contains either object with slugified entry or slug only as a string
          */
@@ -12480,7 +12480,7 @@ export interface UnitMethodPseudopotential {
              * MD5 hash of the pseudopotential file
              */
             hash?: string;
-            type: "us" | "nc" | "paw" | "coulomb";
+            type: "us" | "nc" | "nc-fr" | "paw" | "coulomb";
             /**
              * explains where this came from
              */

package/dist/js/types.js

@@ -9,7 +9,7 @@ var Type;
 (function (Type) {
     Type["fromIframeToHost"] = "from-iframe-to-host";
     Type["fromHostToIframe"] = "from-host-to-iframe";
-})((Type = exports.Type || (exports.Type = {})));
+})(Type = exports.Type || (exports.Type = {}));
 /**
  * The action to be performed upon receiving the message.
  */
@@ -18,4 +18,4 @@ var Action;
     Action["setData"] = "set-data";
     Action["getData"] = "get-data";
     Action["info"] = "info";
-})((Action = exports.Action || (exports.Action = {})));
+})(Action = exports.Action || (exports.Action = {}));

package/package.json

@@ -1,6 +1,6 @@
 {
     "name": "@mat3ra/esse",
-    "version": "2024.4.19-0",
+    "version": "2024.6.4-0",
     "description": "Mat3ra's Excellent Source of Schemas and Examples (ESSE) for Digital Materials R&D",
     "scripts": {
         "transpile": "tsc -p tsconfig-transpile.json",
@@ -28,7 +28,7 @@
     "homepage": "https://github.com/Exabyte-io/esse",
     "devDependencies": {
         "@exabyte-io/eslint-config": "^2023.8.29-1",
-        "@mat3ra/tsconfig": "^2024.3.25-5",
+        "@mat3ra/tsconfig": "^2024.6.3-0",
         "@typescript-eslint/eslint-plugin": "^5.9.1",
         "@typescript-eslint/parser": "^5.9.1",
         "chai": "4.3.4",
@@ -87,22 +87,6 @@
         "*.{js,css}": "prettier --write"
     },
     "exports": {
-        "./lib/js/schema/*.json": "./dist/js/schema/*.json",
-        "./lib/js/example/*": "./dist/js/example/*.js",
-        "./lib/js/utils/*": "./dist/js/utils/*.js",
-        "./lib/js/esse/*": "./dist/js/esse/*.js",
-        "./lib/js/json_include/*": "./dist/js/json_include/*.js",
-        "./lib/js/scripts/*": "./dist/js/scripts/*.js",
-        "./lib/js/types": "./dist/js/types.ts",
-        "./lib/js/schemas.json": "./dist/js/schemas.json",
-        "./dist/schema/*.json": "./dist/js/schema/*.json",
-        "./dist/example/*": "./dist/js/example/*.js",
-        "./dist/utils/*": "./dist/js/utils/*.js",
-        "./dist/esse/*": "./dist/js/esse/*.js",
-        "./dist/json_include/*": "./dist/js/json_include/*.js",
-        "./dist/scripts/*": "./dist/js/scripts/*.js",
-        "./dist/types": "./dist/js/types.ts",
-        "./dist/schemas.json": "./dist/js/schemas.json",
         "./dist/js/schema/*.json": "./dist/js/schema/*.json",
         "./dist/js/example/*": "./dist/js/example/*.js",
         "./dist/js/utils/*": "./dist/js/utils/*.js",

package/schema/methods_category/physical/qm/wf/enum_options.json

@@ -34,6 +34,7 @@
         "enum": [
             "us",
             "nc",
+            "nc-fr",
             "paw",
             "coulomb"
         ]

package/schema/methods_category/physical/qm/wf/enum_options.yml

@@ -20,6 +20,7 @@ pseudization:
 pseudoSubtypes:
   - us # ultra-soft
   - nc # norm-conserving
+  - nc-fr # norm-conserving full-relativistic
   - paw # projector augmented wave
   - coulomb # Coulomb potential
 #