@mat3ra/esse 2025.8.6-1 → 2025.8.9-0

package/example/core/reusable/coordinate_conditions/cylinder.json

@@ -0,0 +1,6 @@
+{
+    "shape": "cylinder",
+    "radius": 0.25,
+    "min_z": 0,
+    "max_z": 1
+}

package/example/core/reusable/coordinate_conditions/plane.json

@@ -0,0 +1,9 @@
+{
+    "shape": "plane",
+    "plane_normal": [ 0.0,
+        0.0,
+        1.0 ],
+    "plane_point_coordinate": [ 0.0,
+        0.0,
+        0.5 ]
+}

package/example/core/reusable/coordinate_conditions/sphere.json

@@ -0,0 +1,4 @@
+{
+    "shape": "sphere",
+    "radius": 0.25
+}

package/example/core/reusable/coordinate_conditions/triangular_prism.json

@@ -0,0 +1,11 @@
+{
+    "shape": "triangular_prism",
+    "position_on_surface_1": [ 0.25,
+        0.25 ],
+    "position_on_surface_2": [ 0.75,
+        0.25 ],
+    "position_on_surface_3": [ 0.5,
+        0.75 ],
+    "min_z": 0,
+    "max_z": 1
+}

package/package.json

@@ -1,6 +1,6 @@
 {
     "name": "@mat3ra/esse",
-    "version": "2025.8.6-1",
+    "version": "2025.8.9-0",
     "description": "Mat3ra's Excellent Source of Schemas and Examples (ESSE) for Digital Materials R&D",
     "scripts": {
         "transpile": "tsc -p tsconfig-transpile.json",

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

@@ -9,7 +9,8 @@
     ],
     "properties": {
         "shape": {
-            "const": "box"
+            "const": "box",
+            "default": "box"
         },
         "min_coordinate": {
             "$ref": "../../abstract/coordinate_3d.json"

package/schema/core/reusable/coordinate_conditions/cylinder.json

@@ -0,0 +1,31 @@
+{
+    "$id": "core/reusable/coordinate-conditions/cylinder",
+    "$schema": "http://json-schema.org/draft-07/schema#",
+    "title": "Cylinder Coordinate Condition Schema",
+    "allOf": [
+        {
+            "$ref": "base.json"
+        }
+    ],
+    "properties": {
+        "shape": {
+            "const": "cylinder",
+            "default": "cylinder"
+        },
+        "radius": {
+            "type": "number",
+            "minimum": 0
+        },
+        "min_z": {
+            "type": "number"
+        },
+        "max_z": {
+            "type": "number"
+        }
+    },
+    "required": [
+        "radius",
+        "min_z",
+        "max_z"
+    ]
+}

package/schema/core/reusable/coordinate_conditions/index.json

@@ -6,6 +6,18 @@
     "oneOf": [
         {
             "$ref": "box.json"
+        },
+        {
+            "$ref": "sphere.json"
+        },
+        {
+            "$ref": "cylinder.json"
+        },
+        {
+            "$ref": "triangular_prism.json"
+        },
+        {
+            "$ref": "plane.json"
         }
     ]
 } 

package/schema/core/reusable/coordinate_conditions/plane.json

@@ -0,0 +1,26 @@
+{
+    "$id": "core/reusable/coordinate-conditions/plane",
+    "$schema": "http://json-schema.org/draft-07/schema#",
+    "title": "Plane Coordinate Condition Schema",
+    "allOf": [
+        {
+            "$ref": "base.json"
+        }
+    ],
+    "properties": {
+        "shape": {
+            "const": "plane",
+            "default": "plane"
+        },
+        "plane_normal": {
+            "$ref": "../../abstract/coordinate_3d.json"
+        },
+        "plane_point_coordinate": {
+            "$ref": "../../abstract/coordinate_3d.json"
+        }
+    },
+    "required": [
+        "plane_normal",
+        "plane_point_coordinate"
+    ]
+}

package/schema/core/reusable/coordinate_conditions/sphere.json

@@ -0,0 +1,23 @@
+{
+    "$id": "core/reusable/coordinate-conditions/sphere",
+    "$schema": "http://json-schema.org/draft-07/schema#",
+    "title": "Sphere Coordinate Condition Schema",
+    "allOf": [
+        {
+            "$ref": "base.json"
+        }
+    ],
+    "properties": {
+        "shape": {
+            "const": "sphere",
+            "default": "sphere"
+        },
+        "radius": {
+            "type": "number",
+            "minimum": 0
+        }
+    },
+    "required": [
+        "radius"
+    ]
+}

package/schema/core/reusable/coordinate_conditions/triangular_prism.json

@@ -0,0 +1,38 @@
+{
+    "$id": "core/reusable/coordinate-conditions/triangular-prism",
+    "$schema": "http://json-schema.org/draft-07/schema#",
+    "title": "Triangular Prism Coordinate Condition Schema",
+    "allOf": [
+        {
+            "$ref": "base.json"
+        }
+    ],
+    "properties": {
+        "shape": {
+            "const": "triangular_prism",
+            "default": "triangular_prism"
+        },
+        "position_on_surface_1": {
+            "$ref": "../../primitive/array_of_2_numbers.json"
+        },
+        "position_on_surface_2": {
+            "$ref": "../../primitive/array_of_2_numbers.json"
+        },
+        "position_on_surface_3": {
+            "$ref": "../../primitive/array_of_2_numbers.json"
+        },
+        "min_z": {
+            "type": "number"
+        },
+        "max_z": {
+            "type": "number"
+        }
+    },
+    "required": [
+        "position_on_surface_1",
+        "position_on_surface_2",
+        "position_on_surface_3",
+        "min_z",
+        "max_z"
+    ]
+}

package/schema/materials_category/manifest.yaml

@@ -63,6 +63,8 @@ materials_category:
       - nanotape
       - slab
       - slab_strained_supercell
+    zero-dimensional:
+      - nanoparticle
 
   compound_pristine_structures:
     two-dimensional:
@@ -81,6 +83,7 @@ materials_category:
         - interstitial
         - substitutional
         - vacancy
+      
 
   processed_structures:
     two-dimensional:

package/schema/materials_category_components/operations/core/combinations/stack.json

@@ -12,18 +12,17 @@
             "$ref": "../../../../core/primitive/axis_3d_names_enum.json"
         },
         "gaps": {
-            "description": "Gap distances between stack components as an array of objects with id and value",
+            "description": "Gap distances between stack components as array of objects with id and value",
             "type": "array",
             "items": {
                 "allOf": [
                     {
-                        "$ref": "../../../../core/primitive/object_with_id.json"
+                        "$ref": "../../../../core/primitive/object_with_id_and_value.json"
                     }
                 ],
                 "properties": {
                     "value": {
-                        "type": "number",
-                        "minimum": 0
+                        "type": "number"
                     }
                 }
             }