@mat3ra/esse 2025.5.17-0 → 2025.5.17-2

package/dist/js/example/materials_category/defects/zero_dimensional/point/vacancy/configuration.json

@@ -0,0 +1,137 @@
+{
+    "type": "vacancy",
+    "coordinate": [
+        0,
+        0,
+        0
+    ],
+    "use_cartesian_coordinates": false,
+    "host": {
+        "_id": "LCthJ6E2QabYCZqf3",
+        "basis": {
+            "coordinates": [
+                {
+                    "id": 1,
+                    "value": [
+                        0,
+                        0,
+                        0
+                    ]
+                },
+                {
+                    "id": 2,
+                    "value": [
+                        0.25,
+                        0.25,
+                        0.25
+                    ]
+                }
+            ],
+            "elements": [
+                {
+                    "id": 1,
+                    "value": "Si"
+                },
+                {
+                    "id": 2,
+                    "value": "Si"
+                }
+            ],
+            "name": "basis",
+            "units": "crystal"
+        },
+        "createdAt": "2016-04-03T05:25:37.430Z",
+        "creator": {
+            "_id": "HtxACY2wX4b2hS8Rv",
+            "cls": "User",
+            "slug": "exadmin"
+        },
+        "derivedProperties": [
+            {
+                "name": "volume",
+                "units": "angstrom^3",
+                "value": 131.1
+            },
+            {
+                "name": "density",
+                "units": "g/cm^3",
+                "value": 2.33
+            },
+            {
+                "name": "symmetry",
+                "spaceGroupSymbol": "Fd-3m",
+                "tolerance": {
+                    "units": "angstrom",
+                    "value": 0.3
+                }
+            },
+            {
+                "degree": 10,
+                "name": "p-norm",
+                "value": 0.71
+            },
+            {
+                "element": "Si",
+                "name": "elemental_ratio",
+                "value": 0.71
+            },
+            {
+                "name": "inchi",
+                "value": ""
+            },
+            {
+                "name": "inchi_key",
+                "value": ""
+            }
+        ],
+        "exabyteId": "RKiswuxHKkF3uvLyA",
+        "formula": "Si",
+        "hash": "4ac3fa057e3530628eb1295c77110eaa",
+        "isDefault": false,
+        "isNonPeriodic": false,
+        "lattice": {
+            "name": "lattice",
+            "a": 5.14,
+            "alpha": 90,
+            "b": 5.14,
+            "beta": 90,
+            "c": 5.14,
+            "gamma": 90,
+            "type": "CUB",
+            "units": {
+                "angle": "degree",
+                "length": "angstrom"
+            },
+            "vectors": {
+                "a": [
+                    5,
+                    0.000121312,
+                    0.000131415
+                ],
+                "alat": 1,
+                "b": [
+                    0.000121312,
+                    5,
+                    0.000121314
+                ],
+                "c": [
+                    0.000121313,
+                    0.000121312,
+                    5
+                ],
+                "units": "angstrom"
+            }
+        },
+        "name": "Silicon FCC",
+        "owner": {
+            "_id": "HtxACY2wX4b2hS8Rv",
+            "cls": "Account",
+            "slug": "exabyte"
+        },
+        "scaledHash": "5bd4eb168e3530628eb1295d88221cbb",
+        "schemaVersion": "0.2.0",
+        "slug": "silicon-fcc",
+        "unitCellFormula": "Si2",
+        "updatedAt": "2016-04-04T17:58:42.867Z"
+    }
+}

package/dist/js/json_include/index.js

@@ -64,6 +64,7 @@ class JSONInclude {
      */
     parseIncludeStatements(filePath) {
         const data = (0, common_1.safeParseJSON)(fs_1.default.readFileSync(filePath, "utf8"));
+        console.log("Parsing file: ", filePath);
         if (settings_1.OBJECT_ONLY && !(0, common_1.isInstanceOf)(data, "Object")) {
             throw new Error("The JSON file being included should always be a dict rather than a list");
         }

package/dist/js/schema/core/reusable/axis_enum.json

@@ -0,0 +1,12 @@
+{
+    "$id": "core/reusable/axis-enum",
+    "$schema": "http://json-schema.org/draft-07/schema#",
+    "title": "Axis Enum",
+    "type": "string",
+    "description": "Enum for axis types",
+    "enum": [
+        "x",
+        "y",
+        "z"
+    ]
+}

package/dist/js/schema/core/reusable/coordinate_conditions/base.json

@@ -0,0 +1,24 @@
+{
+    "$id": "core/reusable/coordinate-conditions/base",
+    "$schema": "http://json-schema.org/draft-07/schema#",
+    "title": "Coordinate Condition Schema",
+    "description": "Base interface for coordinate shape filters",
+    "type": "object",
+    "required": [
+        "shape"
+    ],
+    "properties": {
+        "shape": {
+            "$schema": "http://json-schema.org/draft-07/schema#",
+            "title": "Coordinate Shape Enum",
+            "type": "string",
+            "enum": [
+                "cylinder",
+                "sphere",
+                "box",
+                "triangular_prism",
+                "plane"
+            ]
+        }
+    }
+}

package/dist/js/schema/core/reusable/coordinate_conditions/box.json

@@ -0,0 +1,47 @@
+{
+    "$id": "core/reusable/coordinate-conditions/box",
+    "$schema": "http://json-schema.org/draft-07/schema#",
+    "title": "Box Coordinate Condition Schema",
+    "required": [
+        "max_coordinate",
+        "min_coordinate",
+        "shape"
+    ],
+    "description": "Base interface for coordinate shape filters",
+    "type": "object",
+    "properties": {
+        "shape": {
+            "const": "box",
+            "$schema": "http://json-schema.org/draft-07/schema#",
+            "title": "Coordinate Shape Enum",
+            "type": "string",
+            "enum": [
+                "cylinder",
+                "sphere",
+                "box",
+                "triangular_prism",
+                "plane"
+            ]
+        },
+        "min_coordinate": {
+            "$schema": "http://json-schema.org/draft-07/schema#",
+            "title": "coordinate 3d schema",
+            "type": "array",
+            "minItems": 3,
+            "maxItems": 3,
+            "items": {
+                "type": "number"
+            }
+        },
+        "max_coordinate": {
+            "$schema": "http://json-schema.org/draft-07/schema#",
+            "title": "coordinate 3d schema",
+            "type": "array",
+            "minItems": 3,
+            "maxItems": 3,
+            "items": {
+                "type": "number"
+            }
+        }
+    }
+}

package/dist/js/schema/core/reusable/coordinate_conditions/enum.json

@@ -0,0 +1,13 @@
+{
+    "$id": "core/reusable/coordinate-conditions/enum",
+    "$schema": "http://json-schema.org/draft-07/schema#",
+    "title": "Coordinate Shape Enum",
+    "type": "string",
+    "enum": [
+        "cylinder",
+        "sphere",
+        "box",
+        "triangular_prism",
+        "plane"
+    ]
+}