@mat3ra/esse 2025.5.13-0 → 2025.5.16-1

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Files changed (51) hide show
  1. package/dist/js/esse/JSONSchemasGenerator.js +10 -2
  2. package/dist/js/esse/utils.js +6 -0
  3. package/dist/js/example/apse/materials/builders/slab/pymatgen/parameters.json +6 -0
  4. package/dist/js/example/material/builders/base/selector_parameters.json +3 -0
  5. package/dist/js/example/material/builders/single_material/two_dimensional/slab/selector_parameters.json +6 -0
  6. package/dist/js/example/materials_category/defects/configuration.json +130 -0
  7. package/dist/js/example/materials_category/defects/zero_dimensional/point/configuration.json +138 -0
  8. package/dist/js/schema/apse/materials/builders/slab/pymatgen/parameters.json +33 -0
  9. package/dist/js/schema/element.json +120 -2
  10. package/dist/js/schema/enums/chemical_elements.json +267 -0
  11. package/dist/js/schema/material/builders/base/selector_parameters.json +15 -0
  12. package/dist/js/schema/material/builders/single_material/two_dimensional/slab/builder_parameters.json +33 -0
  13. package/dist/js/schema/material/builders/single_material/two_dimensional/slab/selector_parameters.json +159 -0
  14. package/dist/js/schema/material/reusable/slab/enums/exposed_face.json +11 -0
  15. package/dist/js/schema/material/reusable/slab/number_of_layers.json +1 -1
  16. package/dist/js/schema/material/reusable/slab/termination.json +130 -2
  17. package/dist/js/schema/material/reusable/slab/vacuum.json +1 -1
  18. package/dist/js/schema/material.json +133 -2
  19. package/dist/js/schema/materials_category/defects/configuration.json +772 -0
  20. package/dist/js/schema/materials_category/defects/enums/point_defect_type.json +11 -0
  21. package/dist/js/schema/materials_category/defects/zero_dimensional/point/configuration.json +919 -0
  22. package/dist/js/schema/materials_category/single_material/two_dimensional/slab/configuration.json +135 -4
  23. package/dist/js/schema/properties_directory/structural/basis/atomic_element.json +133 -2
  24. package/dist/js/schema/properties_directory/structural/basis/atomic_elements.json +133 -2
  25. package/dist/js/schema/properties_directory/structural/basis.json +133 -2
  26. package/dist/js/schemas.json +1 -1
  27. package/dist/js/types.d.ts +836 -217
  28. package/example/apse/materials/builders/slab/pymatgen/parameters.json +6 -0
  29. package/example/material/builders/base/selector_parameters.json +3 -0
  30. package/example/material/builders/single_material/two_dimensional/slab/selector_parameters.json +6 -0
  31. package/example/materials_category/defects/configuration.json +5 -0
  32. package/example/materials_category/defects/zero_dimensional/point/configuration.json +11 -0
  33. package/package.json +1 -1
  34. package/schema/apse/materials/builders/slab/pymatgen/parameters.json +33 -0
  35. package/schema/definitions/chemical_elements.json +144 -0
  36. package/schema/element.json +1 -2
  37. package/schema/material/builders/base/selector_parameters.json +15 -0
  38. package/schema/material/builders/single_material/two_dimensional/slab/builder_parameters.json +12 -0
  39. package/schema/material/builders/single_material/two_dimensional/slab/selector_parameters.json +12 -0
  40. package/schema/material/reusable/slab/enums/exposed_face.json +11 -0
  41. package/schema/material/reusable/slab/number_of_layers.json +1 -1
  42. package/schema/material/reusable/slab/termination.json +11 -2
  43. package/schema/material/reusable/slab/vacuum.json +1 -1
  44. package/schema/materials_category/defects/configuration.json +21 -0
  45. package/schema/materials_category/defects/zero_dimensional/point/configuration.json +30 -0
  46. package/schema/materials_category/defects/zero_dimensional/point/enums/type.json +11 -0
  47. package/schema/properties_directory/structural/basis/atomic_element.json +6 -1
  48. package/src/js/esse/JSONSchemasGenerator.ts +11 -1
  49. package/src/js/esse/utils.ts +8 -2
  50. package/dist/js/schema/material/reusable/slab/enums.json +0 -11
  51. package/schema/material/reusable/slab/enums.json +0 -11
package/dist/js/schema/materials_category/defects/enums/point_defect_type.json ADDED
@@ -0,0 +1,11 @@
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+ {
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+ "$id": "materials-category/defects/enums/point-defect-type",
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+ "$schema": "http://json-schema.org/draft-07/schema#",
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+ "title": "Point Defect Type Enum",
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+ "type": "string",
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+ "enum": [
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+ "vacancy",
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+ "substitution",
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+ "interstitial"
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+ ]
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+ }