@mat3ra/esse 2023.12.25-2

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Files changed (609) hide show
  1. package/.babelrc +10 -0
  2. package/.eslintrc.json +3 -0
  3. package/.pre-commit-config.yaml +20 -0
  4. package/.prettierrc +6 -0
  5. package/LICENSE.md +15 -0
  6. package/README.md +157 -0
  7. package/build_schemas.js +42 -0
  8. package/build_schemas.py +61 -0
  9. package/docs/README.md +3 -0
  10. package/example/3pse/file/applications/espresso/7.2/pw.x.json +94 -0
  11. package/example/core/abstract/2d_data.json +19 -0
  12. package/example/core/abstract/2d_plot.json +26 -0
  13. package/example/core/abstract/3d_grid.json +12 -0
  14. package/example/core/abstract/3d_tensor.json +17 -0
  15. package/example/core/abstract/3d_vector_basis.json +17 -0
  16. package/example/core/abstract/point.json +5 -0
  17. package/example/core/abstract/vector.json +5 -0
  18. package/example/core/primitive/1d_data_series.json +12 -0
  19. package/example/core/primitive/3d_lattice.json +8 -0
  20. package/example/core/primitive/array_of_3_booleans.json +5 -0
  21. package/example/core/primitive/array_of_3_numbers.json +5 -0
  22. package/example/core/primitive/array_of_ids.json +8 -0
  23. package/example/core/primitive/axis.json +4 -0
  24. package/example/core/primitive/scalar.json +3 -0
  25. package/example/core/primitive/string.json +3 -0
  26. package/example/core/reference/experiment/condition.json +12 -0
  27. package/example/core/reference/experiment/location.json +4 -0
  28. package/example/core/reference/experiment.json +22 -0
  29. package/example/core/reference/literature/name.json +5 -0
  30. package/example/core/reference/literature/pages.json +4 -0
  31. package/example/core/reference/literature.json +8 -0
  32. package/example/core/reference/modeling/exabyte.json +7 -0
  33. package/example/core/reference/modeling.json +3 -0
  34. package/example/core/reference.json +3 -0
  35. package/example/core/reusable/atomic_vectors.json +18 -0
  36. package/example/core/reusable/band_gap.json +16 -0
  37. package/example/core/reusable/energy.json +5 -0
  38. package/example/core/reusable/file_metadata.json +5 -0
  39. package/example/core/reusable/object_storage_container_data.json +8 -0
  40. package/example/element.json +14 -0
  41. package/example/job/compute.json +26 -0
  42. package/example/job.json +26 -0
  43. package/example/material.json +94 -0
  44. package/example/method/categorized_method.json +47 -0
  45. package/example/method/method_parameters.json +3 -0
  46. package/example/method.json +7 -0
  47. package/example/methods_directory/legacy/localorbital.json +4 -0
  48. package/example/methods_directory/legacy/pseudopotential.json +4 -0
  49. package/example/methods_directory/legacy/regression.json +61 -0
  50. package/example/methods_directory/legacy/unknown.json +4 -0
  51. package/example/methods_directory/mathematical/cg.json +10 -0
  52. package/example/methods_directory/mathematical/regression.json +65 -0
  53. package/example/methods_directory/physical/ao/dunning.json +13 -0
  54. package/example/methods_directory/physical/psp/file.json +49 -0
  55. package/example/methods_directory/physical/psp.json +16 -0
  56. package/example/methods_directory/physical/pw.json +9 -0
  57. package/example/methods_directory/physical/smearing.json +10 -0
  58. package/example/methods_directory/physical/tetrahedron.json +10 -0
  59. package/example/model/categorized_model.json +33 -0
  60. package/example/model/model_parameters.json +7 -0
  61. package/example/model.json +7 -0
  62. package/example/models_category/pb/qm/abin/gw.json +7 -0
  63. package/example/models_category/pb/qm/dft/ksdft.json +6 -0
  64. package/example/models_category/pb/qm/semp.json +5 -0
  65. package/example/models_directory/gga.json +15 -0
  66. package/example/models_directory/gw.json +15 -0
  67. package/example/models_directory/hybrid.json +15 -0
  68. package/example/models_directory/lda.json +15 -0
  69. package/example/models_directory/legacy/dft.json +8 -0
  70. package/example/models_directory/legacy/ml.json +7 -0
  71. package/example/models_directory/legacy/unknown.json +7 -0
  72. package/example/models_directory/re.json +9 -0
  73. package/example/project.json +21 -0
  74. package/example/properties_directory/electronic_configuration.json +4 -0
  75. package/example/properties_directory/elemental/atomic_radius.json +4 -0
  76. package/example/properties_directory/elemental/electronegativity.json +4 -0
  77. package/example/properties_directory/elemental/ionization_potential.json +4 -0
  78. package/example/properties_directory/non-scalar/band_gaps.json +25 -0
  79. package/example/properties_directory/non-scalar/band_structure.json +47 -0
  80. package/example/properties_directory/non-scalar/charge_density_profile.json +22 -0
  81. package/example/properties_directory/non-scalar/density_of_states.json +55 -0
  82. package/example/properties_directory/non-scalar/dielectric_tensor.json +133 -0
  83. package/example/properties_directory/non-scalar/file_content.json +8 -0
  84. package/example/properties_directory/non-scalar/hubbard_u.json +24 -0
  85. package/example/properties_directory/non-scalar/hubbard_v.json +22 -0
  86. package/example/properties_directory/non-scalar/hubbard_v_nn.json +24 -0
  87. package/example/properties_directory/non-scalar/phonon_dispersions.json +41 -0
  88. package/example/properties_directory/non-scalar/phonon_dos.json +37 -0
  89. package/example/properties_directory/non-scalar/potential_profile.json +32 -0
  90. package/example/properties_directory/non-scalar/reaction_energy_profile.json +30 -0
  91. package/example/properties_directory/non-scalar/stress_tensor.json +21 -0
  92. package/example/properties_directory/non-scalar/total_energy_contributions.json +44 -0
  93. package/example/properties_directory/non-scalar/vibrational_spectrum.json +25 -0
  94. package/example/properties_directory/scalar/electron_affinity.json +5 -0
  95. package/example/properties_directory/scalar/fermi_energy.json +5 -0
  96. package/example/properties_directory/scalar/formation_energy.json +5 -0
  97. package/example/properties_directory/scalar/ionization_potential.json +5 -0
  98. package/example/properties_directory/scalar/pressure.json +5 -0
  99. package/example/properties_directory/scalar/reaction_energy_barrier.json +5 -0
  100. package/example/properties_directory/scalar/surface_energy.json +5 -0
  101. package/example/properties_directory/scalar/total_energy.json +5 -0
  102. package/example/properties_directory/scalar/total_force.json +5 -0
  103. package/example/properties_directory/scalar/valence_band_offset.json +5 -0
  104. package/example/properties_directory/scalar/zero_point_energy.json +5 -0
  105. package/example/properties_directory/structural/atomic_forces.json +22 -0
  106. package/example/properties_directory/structural/basis/atomic_constraints.json +21 -0
  107. package/example/properties_directory/structural/basis/atomic_coordinate.json +8 -0
  108. package/example/properties_directory/structural/basis/atomic_coordinates.json +21 -0
  109. package/example/properties_directory/structural/basis/atomic_element.json +4 -0
  110. package/example/properties_directory/structural/basis/bonds.json +24 -0
  111. package/example/properties_directory/structural/basis.json +19 -0
  112. package/example/properties_directory/structural/density.json +5 -0
  113. package/example/properties_directory/structural/elemental_ratio.json +5 -0
  114. package/example/properties_directory/structural/inchi.json +4 -0
  115. package/example/properties_directory/structural/inchi_key.json +4 -0
  116. package/example/properties_directory/structural/lattice/lattice_bravais.json +13 -0
  117. package/example/properties_directory/structural/lattice/lattice_vectors.json +19 -0
  118. package/example/properties_directory/structural/lattice.json +7 -0
  119. package/example/properties_directory/structural/magnetic_moments.json +22 -0
  120. package/example/properties_directory/structural/molecular_pattern.json +71 -0
  121. package/example/properties_directory/structural/p-norm.json +5 -0
  122. package/example/properties_directory/structural/symmetry.json +9 -0
  123. package/example/properties_directory/structural/volume.json +5 -0
  124. package/example/properties_directory/workflow/convergence/electronic.json +15 -0
  125. package/example/properties_directory/workflow/convergence/ionic.json +20 -0
  126. package/example/properties_directory/workflow/convergence/kpoint.json +22 -0
  127. package/example/property/base.json +21 -0
  128. package/example/software/application.json +7 -0
  129. package/example/software/executable.json +20 -0
  130. package/example/software/flavor.json +9 -0
  131. package/example/software/template.json +14 -0
  132. package/example/software_directory/ml/exabyteml.json +6 -0
  133. package/example/software_directory/ml/unit/execution/evaluate/cross-validate.json +17 -0
  134. package/example/software_directory/ml/unit/execution/initialize.json +20 -0
  135. package/example/software_directory/ml/unit/execution/score.json +15 -0
  136. package/example/software_directory/ml/unit/execution/train.json +26 -0
  137. package/example/software_directory/ml/unit/processing/data_transformation/manipulation.json +14 -0
  138. package/example/software_directory/ml/unit/processing/data_transformation/scale_and_reduce.json +26 -0
  139. package/example/software_directory/ml/unit/processing/feature_selection/filter_based.json +13 -0
  140. package/example/software_directory/modeling/espresso/arguments.json +5 -0
  141. package/example/software_directory/modeling/espresso.json +6 -0
  142. package/example/software_directory/modeling/nwchem.json +6 -0
  143. package/example/software_directory/modeling/unit/execution.json +16 -0
  144. package/example/software_directory/modeling/vasp.json +6 -0
  145. package/example/software_directory/scripting/jupyter-lab.json +8 -0
  146. package/example/software_directory/scripting/python.json +8 -0
  147. package/example/software_directory/scripting/shell.json +8 -0
  148. package/example/software_directory/scripting/unit/execution.json +17 -0
  149. package/example/system/_material.json +5 -0
  150. package/example/system/_parent_job.json +5 -0
  151. package/example/system/_project.json +5 -0
  152. package/example/system/consistency_check.json +6 -0
  153. package/example/system/creator.json +5 -0
  154. package/example/system/entity_reference.json +5 -0
  155. package/example/system/file_source.json +6 -0
  156. package/example/system/message.json +14 -0
  157. package/example/system/owner.json +5 -0
  158. package/example/workflow/subworkflow.json +18 -0
  159. package/example/workflow/unit/assignment.json +19 -0
  160. package/example/workflow/unit/condition.json +22 -0
  161. package/example/workflow/unit/execution.json +39 -0
  162. package/example/workflow/unit/input/_inputItemScope.json +4 -0
  163. package/example/workflow/unit/io/api.json +31 -0
  164. package/example/workflow/unit/io/db.json +15 -0
  165. package/example/workflow/unit/io/object_storage.json +7 -0
  166. package/example/workflow/unit/io.json +41 -0
  167. package/example/workflow/unit/map.json +16 -0
  168. package/example/workflow/unit/processing.json +13 -0
  169. package/example/workflow/unit/reduce.json +16 -0
  170. package/example/workflow/unit/runtime/runtime_items.json +14 -0
  171. package/example/workflow/unit.json +8 -0
  172. package/example/workflow.json +34 -0
  173. package/lib/js/esse/index.js +83 -0
  174. package/lib/js/esse/schemaUtils.js +78 -0
  175. package/lib/js/esse/settings.js +18 -0
  176. package/lib/js/esse/utils.js +74 -0
  177. package/lib/js/json_include/index.js +110 -0
  178. package/lib/js/json_include/settings.js +13 -0
  179. package/lib/js/json_include/utils.js +22 -0
  180. package/lib/js/scripts/createEnumsFromYaml.js +74 -0
  181. package/lib/js/scripts/setSchemaIds.js +156 -0
  182. package/npmignore +6 -0
  183. package/package.json +75 -0
  184. package/schema/3pse/file/applications/espresso/7.2/pw.x/atomic_positions.json +66 -0
  185. package/schema/3pse/file/applications/espresso/7.2/pw.x/atomic_species.json +30 -0
  186. package/schema/3pse/file/applications/espresso/7.2/pw.x/cell.json +89 -0
  187. package/schema/3pse/file/applications/espresso/7.2/pw.x/cell_parameters.json +36 -0
  188. package/schema/3pse/file/applications/espresso/7.2/pw.x/control.json +181 -0
  189. package/schema/3pse/file/applications/espresso/7.2/pw.x/electrons.json +157 -0
  190. package/schema/3pse/file/applications/espresso/7.2/pw.x/hubbard.json +219 -0
  191. package/schema/3pse/file/applications/espresso/7.2/pw.x/ions.json +216 -0
  192. package/schema/3pse/file/applications/espresso/7.2/pw.x/k_points.json +87 -0
  193. package/schema/3pse/file/applications/espresso/7.2/pw.x/system.json +649 -0
  194. package/schema/3pse/file/applications/espresso/7.2/pw.x.json +52 -0
  195. package/schema/core/abstract/2d_data.json +19 -0
  196. package/schema/core/abstract/2d_plot.json +29 -0
  197. package/schema/core/abstract/3d_grid.json +17 -0
  198. package/schema/core/abstract/3d_tensor.json +11 -0
  199. package/schema/core/abstract/3d_vector_basis.json +25 -0
  200. package/schema/core/abstract/point.json +10 -0
  201. package/schema/core/abstract/vector.json +13 -0
  202. package/schema/core/primitive/1d_data_series.json +16 -0
  203. package/schema/core/primitive/3d_lattice.json +40 -0
  204. package/schema/core/primitive/array_of_3_booleans.json +11 -0
  205. package/schema/core/primitive/array_of_3_numbers.json +11 -0
  206. package/schema/core/primitive/array_of_ids.json +17 -0
  207. package/schema/core/primitive/array_of_strings.json +11 -0
  208. package/schema/core/primitive/axis.json +18 -0
  209. package/schema/core/primitive/group_info.json +16 -0
  210. package/schema/core/primitive/integer_one_or_zero.json +8 -0
  211. package/schema/core/primitive/linked_list/base_node.json +34 -0
  212. package/schema/core/primitive/linked_list/named_node.json +14 -0
  213. package/schema/core/primitive/linked_list/named_node_in_group.json +14 -0
  214. package/schema/core/primitive/linked_list/node_with_type.json +16 -0
  215. package/schema/core/primitive/linked_list.json +24 -0
  216. package/schema/core/primitive/scalar.json +14 -0
  217. package/schema/core/primitive/slugified_entry.json +21 -0
  218. package/schema/core/primitive/slugified_entry_or_slug.json +14 -0
  219. package/schema/core/primitive/string.json +14 -0
  220. package/schema/core/reference/exabyte.json +19 -0
  221. package/schema/core/reference/experiment/condition.json +29 -0
  222. package/schema/core/reference/experiment/location.json +19 -0
  223. package/schema/core/reference/experiment.json +58 -0
  224. package/schema/core/reference/literature/name.json +24 -0
  225. package/schema/core/reference/literature/pages.json +17 -0
  226. package/schema/core/reference/literature.json +82 -0
  227. package/schema/core/reference/modeling/exabyte.json +30 -0
  228. package/schema/core/reference/modeling.json +10 -0
  229. package/schema/core/reference.json +16 -0
  230. package/schema/core/reusable/atomic_data/per_orbital.json +22 -0
  231. package/schema/core/reusable/atomic_data/per_orbital_pair.json +39 -0
  232. package/schema/core/reusable/atomic_data/value_number.json +13 -0
  233. package/schema/core/reusable/atomic_data/value_string.json +13 -0
  234. package/schema/core/reusable/atomic_data_per_orbital_numeric.json +15 -0
  235. package/schema/core/reusable/atomic_data_per_orbital_pair_numeric.json +15 -0
  236. package/schema/core/reusable/atomic_orbital.json +32 -0
  237. package/schema/core/reusable/atomic_scalars.json +17 -0
  238. package/schema/core/reusable/atomic_strings.json +17 -0
  239. package/schema/core/reusable/atomic_vectors.json +17 -0
  240. package/schema/core/reusable/band_gap.json +44 -0
  241. package/schema/core/reusable/categories.json +29 -0
  242. package/schema/core/reusable/category_path.json +7 -0
  243. package/schema/core/reusable/dielectric_tensor_component.json +28 -0
  244. package/schema/core/reusable/energy.json +29 -0
  245. package/schema/core/reusable/file_metadata.json +20 -0
  246. package/schema/core/reusable/frequency_function_matrix.json +23 -0
  247. package/schema/core/reusable/object_storage_container_data.json +37 -0
  248. package/schema/definitions/units.json +103 -0
  249. package/schema/element.json +28 -0
  250. package/schema/in_memory_entity/base.json +30 -0
  251. package/schema/in_memory_entity/defaultable.json +13 -0
  252. package/schema/in_memory_entity/named.json +13 -0
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  254. package/schema/in_memory_entity/named_defaultable_has_metadata.json +19 -0
  255. package/schema/in_memory_entity/named_defaultable_runtime_items.json +19 -0
  256. package/schema/job/base.json +80 -0
  257. package/schema/job/compute.json +145 -0
  258. package/schema/job.json +19 -0
  259. package/schema/material/conventional.json +10 -0
  260. package/schema/material.json +57 -0
  261. package/schema/method/categorized_method.json +24 -0
  262. package/schema/method/method_parameters.json +20 -0
  263. package/schema/method/unit_method.json +27 -0
  264. package/schema/method.json +27 -0
  265. package/schema/methods_category/mathematical/diff/enum_options.json +8 -0
  266. package/schema/methods_category/mathematical/diff/enum_options.yml +3 -0
  267. package/schema/methods_category/mathematical/diff/fd.json +15 -0
  268. package/schema/methods_category/mathematical/diff.json +15 -0
  269. package/schema/methods_category/mathematical/discr/enum_options.json +8 -0
  270. package/schema/methods_category/mathematical/discr/enum_options.yml +3 -0
  271. package/schema/methods_category/mathematical/discr/mesh/enum_options.json +18 -0
  272. package/schema/methods_category/mathematical/discr/mesh/enum_options.yml +7 -0
  273. package/schema/methods_category/mathematical/discr/mesh/hybrid.json +15 -0
  274. package/schema/methods_category/mathematical/discr/mesh/nstruct.json +15 -0
  275. package/schema/methods_category/mathematical/discr/mesh/struct/cartesian.json +15 -0
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@@ -0,0 +1,3 @@
1
+ # --- Tier2 enum slugs: Differentiation ---
2
+ finiteDifference:
3
+ - fd # Finite-difference methods, e.g. three-point central difference formula
@@ -0,0 +1,15 @@
1
+ {
2
+ "$id": "methods-category/mathematical/diff/fd",
3
+ "$schema": "http://json-schema.org/draft-04/schema#",
4
+ "description": "Finite difference method category schema",
5
+ "allOf": [
6
+ {
7
+ "$ref": "../diff.json"
8
+ }
9
+ ],
10
+ "properties": {
11
+ "tier2": {
12
+ "$ref": "enum_options.json#/finiteDifference"
13
+ }
14
+ }
15
+ }
@@ -0,0 +1,15 @@
1
+ {
2
+ "$id": "methods-category/mathematical/diff",
3
+ "$schema": "http://json-schema.org/draft-04/schema#",
4
+ "description": "Numerical differentiation category schema",
5
+ "allOf": [
6
+ {
7
+ "$ref": "../../core/reusable/categories.json"
8
+ }
9
+ ],
10
+ "properties": {
11
+ "tier1": {
12
+ "$ref": "enum_options.json#/differentiation"
13
+ }
14
+ }
15
+ }
@@ -0,0 +1,8 @@
1
+ {
2
+ "$id": "methods-category/mathematical/discr/enum-options",
3
+ "meshing": {
4
+ "enum": [
5
+ "mesh"
6
+ ]
7
+ }
8
+ }
@@ -0,0 +1,3 @@
1
+ # --- Tier 2 enum slugs: Discretization ---
2
+ meshing:
3
+ - mesh # Meshing category
@@ -0,0 +1,18 @@
1
+ {
2
+ "$id": "methods-category/mathematical/discr/mesh/enum-options",
3
+ "hybridMesh": {
4
+ "enum": [
5
+ "hybrid"
6
+ ]
7
+ },
8
+ "unstructuredMesh": {
9
+ "enum": [
10
+ "nstruct"
11
+ ]
12
+ },
13
+ "structuredMesh": {
14
+ "enum": [
15
+ "struct"
16
+ ]
17
+ }
18
+ }
@@ -0,0 +1,7 @@
1
+ # --- Tier 3 enum slugs: Meshing ---
2
+ hybridMesh:
3
+ - hybrid # Hybrid meshing category
4
+ unstructuredMesh:
5
+ - nstruct # Unstructured meshing category
6
+ structuredMesh:
7
+ - struct # Structured meshing category
@@ -0,0 +1,15 @@
1
+ {
2
+ "$id": "methods-category/mathematical/discr/mesh/hybrid",
3
+ "$schema": "http://json-schema.org/draft-04/schema#",
4
+ "description": "Hybrid meshing category schema",
5
+ "allOf": [
6
+ {
7
+ "$ref": "../mesh.json"
8
+ }
9
+ ],
10
+ "properties": {
11
+ "tier3": {
12
+ "$ref": "enum_options.json#/hybridMesh"
13
+ }
14
+ }
15
+ }
@@ -0,0 +1,15 @@
1
+ {
2
+ "$id": "methods-category/mathematical/discr/mesh/nstruct",
3
+ "$schema": "http://json-schema.org/draft-04/schema#",
4
+ "description": "Unstructured meshing category schema",
5
+ "allOf": [
6
+ {
7
+ "$ref": "../mesh.json"
8
+ }
9
+ ],
10
+ "properties": {
11
+ "tier3": {
12
+ "$ref": "enum_options.json#/unstructuredMesh"
13
+ }
14
+ }
15
+ }
@@ -0,0 +1,15 @@
1
+ {
2
+ "$id": "methods-category/mathematical/discr/mesh/struct/cartesian",
3
+ "$schema": "http://json-schema.org/draft-04/schema#",
4
+ "title": "Cartesian grid schema",
5
+ "allOf": [
6
+ {
7
+ "$ref": "../struct.json"
8
+ }
9
+ ],
10
+ "properties": {
11
+ "type": {
12
+ "$ref": "enum_options.json#/cartesian"
13
+ }
14
+ }
15
+ }
@@ -0,0 +1,8 @@
1
+ {
2
+ "$id": "methods-category/mathematical/discr/mesh/struct/enum-options",
3
+ "cartesian": {
4
+ "enum": [
5
+ "cartesian"
6
+ ]
7
+ }
8
+ }
@@ -0,0 +1,3 @@
1
+ # --- Type enum slugs: Structured Mesh ---
2
+ cartesian:
3
+ - cartesian # Cartesian grid
@@ -0,0 +1,15 @@
1
+ {
2
+ "$id": "methods-category/mathematical/discr/mesh/struct",
3
+ "$schema": "http://json-schema.org/draft-04/schema#",
4
+ "description": "Structured meshing category schema",
5
+ "allOf": [
6
+ {
7
+ "$ref": "../mesh.json"
8
+ }
9
+ ],
10
+ "properties": {
11
+ "tier3": {
12
+ "$ref": "enum_options.json#/structuredMesh"
13
+ }
14
+ }
15
+ }
@@ -0,0 +1,15 @@
1
+ {
2
+ "$id": "methods-category/mathematical/discr/mesh",
3
+ "$schema": "http://json-schema.org/draft-04/schema#",
4
+ "description": "Meshing method category schema",
5
+ "allOf": [
6
+ {
7
+ "$ref": "../discr.json"
8
+ }
9
+ ],
10
+ "properties": {
11
+ "tier2": {
12
+ "$ref": "enum_options.json#/meshing"
13
+ }
14
+ }
15
+ }
@@ -0,0 +1,15 @@
1
+ {
2
+ "$id": "methods-category/mathematical/discr",
3
+ "$schema": "http://json-schema.org/draft-04/schema#",
4
+ "description": "Discretization category schema",
5
+ "allOf": [
6
+ {
7
+ "$ref": "../../core/reusable/categories.json"
8
+ }
9
+ ],
10
+ "properties": {
11
+ "tier1": {
12
+ "$ref": "enum_options.json#/discretization"
13
+ }
14
+ }
15
+ }
@@ -0,0 +1,45 @@
1
+ {
2
+ "$id": "methods-category/mathematical/enum-options",
3
+ "differentiation": {
4
+ "enum": [
5
+ "diff"
6
+ ]
7
+ },
8
+ "discretization": {
9
+ "enum": [
10
+ "discr"
11
+ ]
12
+ },
13
+ "functionApproximation": {
14
+ "enum": [
15
+ "fapprx"
16
+ ]
17
+ },
18
+ "integration": {
19
+ "enum": [
20
+ "intgr"
21
+ ]
22
+ },
23
+ "linearAlgebra": {
24
+ "enum": [
25
+ "linalg"
26
+ ]
27
+ },
28
+ "optimization": {
29
+ "enum": [
30
+ "opt"
31
+ ]
32
+ },
33
+ "regressionTypes": {
34
+ "enum": [
35
+ "linear",
36
+ "kernel_ridge"
37
+ ]
38
+ },
39
+ "regressionSubtypes": {
40
+ "enum": [
41
+ "least_squares",
42
+ "ridge"
43
+ ]
44
+ }
45
+ }
@@ -0,0 +1,22 @@
1
+ # --- Tier 1 enum slugs ---
2
+ differentiation:
3
+ - diff
4
+ discretization:
5
+ - discr
6
+ functionApproximation:
7
+ - fapprx
8
+ integration:
9
+ - intgr
10
+ linearAlgebra:
11
+ - linalg
12
+ optimization:
13
+ - opt
14
+
15
+ # --- ExabyteML regression types and subtypes ---
16
+ # TODO: find suitable categories and adjust exabyteML
17
+ regressionTypes:
18
+ - linear
19
+ - kernel_ridge
20
+ regressionSubtypes:
21
+ - least_squares
22
+ - ridge
@@ -0,0 +1,15 @@
1
+ {
2
+ "$id": "methods-category/mathematical/fapprx/basisexp",
3
+ "$schema": "http://json-schema.org/draft-04/schema#",
4
+ "description": "Basis expansion category schema",
5
+ "allOf": [
6
+ {
7
+ "$ref": "../fapprx.json"
8
+ }
9
+ ],
10
+ "properties": {
11
+ "tier2": {
12
+ "$ref": "enum_options.json#/basisExpansion"
13
+ }
14
+ }
15
+ }
@@ -0,0 +1,13 @@
1
+ {
2
+ "$id": "methods-category/mathematical/fapprx/enum-options",
3
+ "basisExpansion": {
4
+ "enum": [
5
+ "basisExp"
6
+ ]
7
+ },
8
+ "interpolation": {
9
+ "enum": [
10
+ "ipol"
11
+ ]
12
+ }
13
+ }
@@ -0,0 +1,5 @@
1
+ # --- Tier 2 enum slugs: Function approximation ---
2
+ basisExpansion:
3
+ - basisExp # basis expansion category
4
+ interpolation:
5
+ - ipol # interpolation category
@@ -0,0 +1,18 @@
1
+ {
2
+ "$id": "methods-category/mathematical/fapprx/ipol/enum-options",
3
+ "linear": {
4
+ "enum": [
5
+ "lin"
6
+ ]
7
+ },
8
+ "polynomial": {
9
+ "enum": [
10
+ "poly"
11
+ ]
12
+ },
13
+ "spline": {
14
+ "enum": [
15
+ "spline"
16
+ ]
17
+ }
18
+ }
@@ -0,0 +1,7 @@
1
+ # --- Tier 3 enum slugs: Interpolation methods ---
2
+ linear:
3
+ - lin # Linear interpolation methods
4
+ polynomial:
5
+ - poly # Polynomial interpolation methods, e.g. Lagrange polynomials
6
+ spline:
7
+ - spline # Spline interpolation, e.g. Cubic Hermite spline
@@ -0,0 +1,15 @@
1
+ {
2
+ "$id": "methods-category/mathematical/fapprx/ipol/lin",
3
+ "$schema": "http://json-schema.org/draft-04/schema#",
4
+ "description": "Linear interpolation category schema",
5
+ "allOf": [
6
+ {
7
+ "$ref": "../ipol.json"
8
+ }
9
+ ],
10
+ "properties": {
11
+ "tier3": {
12
+ "$ref": "enum_options.json#/linear"
13
+ }
14
+ }
15
+ }
@@ -0,0 +1,15 @@
1
+ {
2
+ "$id": "methods-category/mathematical/fapprx/ipol/poly",
3
+ "$schema": "http://json-schema.org/draft-04/schema#",
4
+ "description": "Polynomial interpolation category schema",
5
+ "allOf": [
6
+ {
7
+ "$ref": "../ipol.json"
8
+ }
9
+ ],
10
+ "properties": {
11
+ "tier3": {
12
+ "$ref": "enum_options.json#/polynomial"
13
+ }
14
+ }
15
+ }
@@ -0,0 +1,15 @@
1
+ {
2
+ "$id": "methods-category/mathematical/fapprx/ipol/spline",
3
+ "$schema": "http://json-schema.org/draft-04/schema#",
4
+ "description": "Spline interpolation category schema",
5
+ "allOf": [
6
+ {
7
+ "$ref": "../ipol.json"
8
+ }
9
+ ],
10
+ "properties": {
11
+ "tier3": {
12
+ "$ref": "enum_options.json#/spline"
13
+ }
14
+ }
15
+ }
@@ -0,0 +1,15 @@
1
+ {
2
+ "$id": "methods-category/mathematical/fapprx/ipol",
3
+ "$schema": "http://json-schema.org/draft-04/schema#",
4
+ "description": "Interpolation category schema",
5
+ "allOf": [
6
+ {
7
+ "$ref": "../fapprx.json"
8
+ }
9
+ ],
10
+ "properties": {
11
+ "tier2": {
12
+ "$ref": "enum_options.json#/interpolation"
13
+ }
14
+ }
15
+ }
@@ -0,0 +1,15 @@
1
+ {
2
+ "$id": "methods-category/mathematical/fapprx",
3
+ "$schema": "http://json-schema.org/draft-04/schema#",
4
+ "description": "Unstructured meshing category schema",
5
+ "allOf": [
6
+ {
7
+ "$ref": "../../core/reusable/categories.json"
8
+ }
9
+ ],
10
+ "properties": {
11
+ "tier1": {
12
+ "$ref": "enum_options.json#/functionApproximation"
13
+ }
14
+ }
15
+ }
@@ -0,0 +1,20 @@
1
+ {
2
+ "$id": "methods-category/mathematical/intgr/analytic/enum-options",
3
+ "volume": {
4
+ "enum": [
5
+ "volume"
6
+ ]
7
+ },
8
+ "volumeSubtypes": {
9
+ "enum": [
10
+ "sphere",
11
+ "cube",
12
+ "rect-prism",
13
+ "tri-prism",
14
+ "cylinder",
15
+ "cone",
16
+ "tetrahedron",
17
+ "sq-pyr"
18
+ ]
19
+ }
20
+ }
@@ -0,0 +1,14 @@
1
+ # --- Type enum slugs: Analytic integrals ---
2
+ volume:
3
+ - volume
4
+
5
+ # --- SubType enum slugs: Analytic volume integrals ---
6
+ volumeSubtypes:
7
+ - sphere # Sphere
8
+ - cube # Cube
9
+ - rect-prism # Rectangular Prism
10
+ - tri-prism # Triangular Prism
11
+ - cylinder # Cylinder
12
+ - cone # Cone
13
+ - tetrahedron # Tetrahedron
14
+ - sq-pyr # Square Pyramid
@@ -0,0 +1,18 @@
1
+ {
2
+ "$id": "methods-category/mathematical/intgr/analytic/volume",
3
+ "$schema": "http://json-schema.org/draft-04/schema#",
4
+ "description": "analytic volume integral category schema",
5
+ "allOf": [
6
+ {
7
+ "$ref": "../analytic.json"
8
+ }
9
+ ],
10
+ "properties": {
11
+ "type": {
12
+ "$ref": "enum_options.json#/volume"
13
+ },
14
+ "subtype": {
15
+ "$ref": "enum_options.json#/volumeSubtypes"
16
+ }
17
+ }
18
+ }
@@ -0,0 +1,15 @@
1
+ {
2
+ "$id": "methods-category/mathematical/intgr/analytic",
3
+ "$schema": "http://json-schema.org/draft-04/schema#",
4
+ "description": "Analytic integral category schema",
5
+ "allOf": [
6
+ {
7
+ "$ref": "../intgr.json"
8
+ }
9
+ ],
10
+ "properties": {
11
+ "tier2": {
12
+ "$ref": "enum_options.json#/analytic"
13
+ }
14
+ }
15
+ }
@@ -0,0 +1,13 @@
1
+ {
2
+ "$id": "methods-category/mathematical/intgr/diffeq/enum-options",
3
+ "firstOrder": {
4
+ "enum": [
5
+ "order1"
6
+ ]
7
+ },
8
+ "secondOrder": {
9
+ "enum": [
10
+ "order2"
11
+ ]
12
+ }
13
+ }
@@ -0,0 +1,5 @@
1
+ # --- Tier 3 enum slugs: Numerical Integration of Differential Equations ---
2
+ firstOrder:
3
+ - order1 # First-order integrator, e.g. Euler method, Runge-Kutta (RK1) method
4
+ secondOrder:
5
+ - order2 # Second-order integrator, e.g. Verlet method, Runge-Kutta (RK2) method
@@ -0,0 +1,15 @@
1
+ {
2
+ "$id": "methods-category/mathematical/intgr/diffeq/order1",
3
+ "$schema": "http://json-schema.org/draft-04/schema#",
4
+ "description": "Categories for the numerical integration of differential equations",
5
+ "allOf": [
6
+ {
7
+ "$ref": "../diffeq.json"
8
+ }
9
+ ],
10
+ "properties": {
11
+ "tier3": {
12
+ "$ref": "enum_options.json#/firstOrder"
13
+ }
14
+ }
15
+ }
@@ -0,0 +1,15 @@
1
+ {
2
+ "$id": "methods-category/mathematical/intgr/diffeq/order2",
3
+ "$schema": "http://json-schema.org/draft-04/schema#",
4
+ "description": "Categories for the numerical integration of differential equations",
5
+ "allOf": [
6
+ {
7
+ "$ref": "../diffeq.json"
8
+ }
9
+ ],
10
+ "properties": {
11
+ "tier3": {
12
+ "$ref": "enum_options.json#/secondOrder"
13
+ }
14
+ }
15
+ }
@@ -0,0 +1,15 @@
1
+ {
2
+ "$id": "methods-category/mathematical/intgr/diffeq",
3
+ "$schema": "http://json-schema.org/draft-04/schema#",
4
+ "description": "Methods for the numerical integration of differential equations",
5
+ "allOf": [
6
+ {
7
+ "$ref": "../intgr.json"
8
+ }
9
+ ],
10
+ "properties": {
11
+ "tier2": {
12
+ "$ref": "enum_options.json#/differentialEquation"
13
+ }
14
+ }
15
+ }
@@ -0,0 +1,23 @@
1
+ {
2
+ "$id": "methods-category/mathematical/intgr/enum-options",
3
+ "analytic": {
4
+ "enum": [
5
+ "analytic"
6
+ ]
7
+ },
8
+ "differentialEquation": {
9
+ "enum": [
10
+ "diffeq"
11
+ ]
12
+ },
13
+ "numericalQuadrature": {
14
+ "enum": [
15
+ "numquad"
16
+ ]
17
+ },
18
+ "transformation": {
19
+ "enum": [
20
+ "transf"
21
+ ]
22
+ }
23
+ }
@@ -0,0 +1,9 @@
1
+ # --- Tier 2 enum slugs: Integration methods ---
2
+ analytic:
3
+ - analytic # Analytic integral category
4
+ differentialEquation:
5
+ - diffeq # Numerical integration of differential equations category
6
+ numericalQuadrature:
7
+ - numquad # Numerical Quadrature category
8
+ transformation:
9
+ - transf # Integral transformation category
@@ -0,0 +1,13 @@
1
+ {
2
+ "$id": "methods-category/mathematical/intgr/numquad/enum-options",
3
+ "gaussQuadrature": {
4
+ "enum": [
5
+ "gauss"
6
+ ]
7
+ },
8
+ "newtonCotes": {
9
+ "enum": [
10
+ "newcot"
11
+ ]
12
+ }
13
+ }
@@ -0,0 +1,5 @@
1
+ # --- Tier 3 enum slugs: Numerical Quadrature ---
2
+ gaussQuadrature:
3
+ - gauss # Gauss quadrature rules, e.g. Gaussian quadrature, Lebedev quadrature
4
+ newtonCotes:
5
+ - newcot # Newton-Cotes quadrature rules, e.g. Trapezoidal rule
@@ -0,0 +1,15 @@
1
+ {
2
+ "$id": "methods-category/mathematical/intgr/numquad/gauss",
3
+ "$schema": "http://json-schema.org/draft-04/schema#",
4
+ "description": "Gaussian quadrature rules",
5
+ "allOf": [
6
+ {
7
+ "$ref": "../numquad.json"
8
+ }
9
+ ],
10
+ "properties": {
11
+ "tier3": {
12
+ "$ref": "enum_options.json#/gaussQuadrature"
13
+ }
14
+ }
15
+ }
@@ -0,0 +1,15 @@
1
+ {
2
+ "$id": "methods-category/mathematical/intgr/numquad/newcot",
3
+ "$schema": "http://json-schema.org/draft-04/schema#",
4
+ "description": "Newton-Cotes quadrature rules",
5
+ "allOf": [
6
+ {
7
+ "$ref": "../numquad.json"
8
+ }
9
+ ],
10
+ "properties": {
11
+ "tier3": {
12
+ "$ref": "enum_options.json#/newtonCotes"
13
+ }
14
+ }
15
+ }