@mat3ra/esse 2026.6.16-0 → 2026.7.13-0

package/.pre-commit-config.yaml

@@ -1,5 +1,5 @@
 repos:
-  - repo: https://github.com/Exabyte-io/pre-commit-hooks
+  - repo: https://github.com/mat3ra/pre-commit-hooks
     rev: 2023.6.13
     hooks:
       - id: ruff

package/README.md

@@ -69,7 +69,7 @@ validate_and_clean(data, schema)
 print(data) # {"a": "x", "b": 1}
 
 # alternative: schema-aware cleaning via generated pydantic models
-# also see how it is used in ade: https://github.com/Exabyte-io/ade/blob/main/src/py/mat3ra/ade/application.py
+# also see how it is used in ade: https://github.com/mat3ra/ade/blob/main/src/py/mat3ra/ade/application.py
 from pydantic import ConfigDict
 from mat3ra.esse.models.software.application import ApplicationSchemaBase
 

package/dist/js/esse/JSONSchemasInterface.js

@@ -66,5 +66,5 @@ class JSONSchemasInterface {
         return patchedSchema;
     }
 }
-exports.default = JSONSchemasInterface;
 JSONSchemasInterface.schemasCache = new Map();
+exports.default = JSONSchemasInterface;

package/dist/js/esse/JSONSchemasInterfaceServer.js

@@ -3,7 +3,7 @@ var __importDefault = (this && this.__importDefault) || function (mod) {
     return (mod && mod.__esModule) ? mod : { "default": mod };
 };
 Object.defineProperty(exports, "__esModule", { value: true });
-exports.readSchemaFolderSync = void 0;
+exports.readSchemaFolderSync = readSchemaFolderSync;
 const fs_1 = __importDefault(require("fs"));
 const path_1 = __importDefault(require("path"));
 const filesystem_1 = require("../utils/filesystem");
@@ -19,7 +19,6 @@ function readSchemaFolderSync(folderPath) {
     });
     return schemas;
 }
-exports.readSchemaFolderSync = readSchemaFolderSync;
 class JSONSchemasInterfaceServer extends JSONSchemasInterface_1.default {
     static setSchemaFolder(schemaFolder) {
         if (this.schemaFolder !== schemaFolder) {
@@ -42,5 +41,5 @@ class JSONSchemasInterfaceServer extends JSONSchemasInterface_1.default {
         return super.getSchemaById(schemaId);
     }
 }
-exports.default = JSONSchemasInterfaceServer;
 JSONSchemasInterfaceServer.schemaFolder = path_1.default.resolve(__dirname, "./../schema");
+exports.default = JSONSchemasInterfaceServer;

package/dist/js/esse/schemaUtils.js

@@ -1,6 +1,6 @@
 "use strict";
 Object.defineProperty(exports, "__esModule", { value: true });
-exports.mapObjectDeep = void 0;
+exports.mapObjectDeep = mapObjectDeep;
 function mapObjectDeep(object, mapValue) {
     if (typeof object !== "object" || object === null) {
         return object;
@@ -14,4 +14,3 @@ function mapObjectDeep(object, mapValue) {
     });
     return Object.fromEntries(entries);
 }
-exports.mapObjectDeep = mapObjectDeep;

package/dist/js/esse/server/utils.js

@@ -3,7 +3,8 @@ var __importDefault = (this && this.__importDefault) || function (mod) {
     return (mod && mod.__esModule) ? mod : { "default": mod };
 };
 Object.defineProperty(exports, "__esModule", { value: true });
-exports.parseIncludeReferenceStatementsByDir = exports.parseIncludeReferenceStatements = void 0;
+exports.parseIncludeReferenceStatements = parseIncludeReferenceStatements;
+exports.parseIncludeReferenceStatementsByDir = parseIncludeReferenceStatementsByDir;
 /**
  * Server-side schema parsing utilities.
  *
@@ -37,7 +38,6 @@ function parseIncludeReferenceStatements(filePath) {
     }
     return dereferenced;
 }
-exports.parseIncludeReferenceStatements = parseIncludeReferenceStatements;
 /**
  * Resolves `include` and `$ref` statements for all the JSON files inside a given directory.
  * @param dirPath directory to parse.
@@ -65,4 +65,3 @@ function parseIncludeReferenceStatementsByDir(dirPath, wrapInDataAndPath = false
     });
     return wrapInDataAndPath ? schemasWithPath : schemas;
 }
-exports.parseIncludeReferenceStatementsByDir = parseIncludeReferenceStatementsByDir;

package/dist/js/esse/utils.js

@@ -1,6 +1,7 @@
 "use strict";
 Object.defineProperty(exports, "__esModule", { value: true });
-exports.applyPatchTree = exports.applyPatchWithDotNotation = void 0;
+exports.applyPatchWithDotNotation = applyPatchWithDotNotation;
+exports.applyPatchTree = applyPatchTree;
 function isPlainObject(value) {
     return value !== null && typeof value === "object" && !Array.isArray(value);
 }
@@ -28,7 +29,6 @@ function applyPatchWithDotNotation(target, path, patchValue) {
     }
     // If existingValue is undefined, we skip;
 }
-exports.applyPatchWithDotNotation = applyPatchWithDotNotation;
 function applyPatchTree(schema, patchNode, pathPrefix) {
     Object.entries(patchNode).forEach(([key, value]) => {
         if (key.includes(".")) {
@@ -49,4 +49,3 @@ function applyPatchTree(schema, patchNode, pathPrefix) {
         }
     });
 }
-exports.applyPatchTree = applyPatchTree;

package/dist/js/example/apse/file/applications/espresso/7.2/pw.x.json

@@ -1,5 +1,5 @@
 {
-    "&CONTROL": {
+    "CONTROL": {
         "calculation": "scf",
         "title": "",
         "verbosity": "low",
@@ -12,7 +12,7 @@
         "prefix": "__prefix__",
         "pseudo_dir": "{{ JOB_WORK_DIR }}/pseudo"
     },
-    "&SYSTEM": {
+    "SYSTEM": {
         "ibrav": 0,
         "nat": 2,
         "ntyp": 2,
@@ -37,15 +37,15 @@
             ]
         ]
     },
-    "&ELECTRONS": {
+    "ELECTRONS": {
         "diagonalization": "david",
         "diago_david_ndim": 4,
         "diago_full_acc": true,
         "mixing_beta": 0.3,
         "startingwfc": "atomic+random"
     },
-    "&IONS": null,
-    "&CELL": null,
+    "IONS": null,
+    "CELL": null,
     "ATOMIC_SPECIES": {
         "values": [
             {

package/dist/js/schema/apse/file/applications/espresso/7.2/pw.x.json

@@ -5,7 +5,7 @@
     "type": "object",
     "additionalProperties": false,
     "properties": {
-        "&CONTROL": {
+        "CONTROL": {
             "$schema": "http://json-schema.org/draft-07/schema#",
             "title": "control schema",
             "type": "object",
@@ -185,7 +185,7 @@
                 }
             }
         },
-        "&SYSTEM": {
+        "SYSTEM": {
             "$schema": "http://json-schema.org/draft-07/schema#",
             "title": "system schema",
             "type": "object",
@@ -836,7 +836,7 @@
                 }
             }
         },
-        "&ELECTRONS": {
+        "ELECTRONS": {
             "$schema": "http://json-schema.org/draft-07/schema#",
             "title": "electrons schema",
             "type": "object",
@@ -998,7 +998,7 @@
                 }
             }
         },
-        "&IONS": {
+        "IONS": {
             "oneOf": [
                 {
                     "$schema": "http://json-schema.org/draft-07/schema#",
@@ -1220,7 +1220,7 @@
                 }
             ]
         },
-        "&CELL": {
+        "CELL": {
             "oneOf": [
                 {
                     "$schema": "http://json-schema.org/draft-07/schema#",