mat3ra-esse 2024.4.8.post1__py3-none-any.whl → 2024.4.8.post2__py3-none-any.whl

This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.

Potentially problematic release.


This version of mat3ra-esse might be problematic. Click here for more details.

Files changed (447) hide show
  1. mat3ra/esse/models/__init__.py +3 -0
  2. mat3ra/esse/models/core/__init__.py +3 -0
  3. mat3ra/esse/models/core/abstract/2d_data.py +17 -0
  4. mat3ra/esse/models/core/abstract/2d_plot.py +34 -0
  5. mat3ra/esse/models/core/abstract/3d_grid.py +14 -0
  6. mat3ra/esse/models/core/abstract/3d_tensor.py +19 -0
  7. mat3ra/esse/models/core/abstract/3d_vector_basis.py +15 -0
  8. mat3ra/esse/models/core/abstract/__init__.py +3 -0
  9. mat3ra/esse/models/core/abstract/point.py +13 -0
  10. mat3ra/esse/models/core/abstract/vector.py +13 -0
  11. mat3ra/esse/models/core/primitive/1d_data_series.py +13 -0
  12. mat3ra/esse/models/core/primitive/3d_lattice.py +34 -0
  13. mat3ra/esse/models/core/primitive/__init__.py +3 -0
  14. mat3ra/esse/models/core/primitive/array_of_3_booleans.py +13 -0
  15. mat3ra/esse/models/core/primitive/array_of_3_numbers.py +13 -0
  16. mat3ra/esse/models/core/primitive/array_of_ids.py +23 -0
  17. mat3ra/esse/models/core/primitive/array_of_strings.py +16 -0
  18. mat3ra/esse/models/core/primitive/axis.py +20 -0
  19. mat3ra/esse/models/core/primitive/group_info.py +20 -0
  20. mat3ra/esse/models/core/primitive/integer_one_or_zero.py +11 -0
  21. mat3ra/esse/models/core/primitive/linked_list/__init__.py +33 -0
  22. mat3ra/esse/models/core/primitive/linked_list/base_node.py +31 -0
  23. mat3ra/esse/models/core/primitive/linked_list/named_node.py +35 -0
  24. mat3ra/esse/models/core/primitive/linked_list/named_node_in_group.py +43 -0
  25. mat3ra/esse/models/core/primitive/linked_list/node_with_type.py +32 -0
  26. mat3ra/esse/models/core/primitive/scalar.py +11 -0
  27. mat3ra/esse/models/core/primitive/slugified_entry.py +18 -0
  28. mat3ra/esse/models/core/primitive/slugified_entry_or_slug.py +27 -0
  29. mat3ra/esse/models/core/primitive/string.py +11 -0
  30. mat3ra/esse/models/core/reference/__init__.py +260 -0
  31. mat3ra/esse/models/core/reference/exabyte.py +24 -0
  32. mat3ra/esse/models/core/reference/experiment/__init__.py +150 -0
  33. mat3ra/esse/models/core/reference/experiment/condition.py +28 -0
  34. mat3ra/esse/models/core/reference/experiment/location.py +18 -0
  35. mat3ra/esse/models/core/reference/literature/__init__.py +86 -0
  36. mat3ra/esse/models/core/reference/literature/name.py +16 -0
  37. mat3ra/esse/models/core/reference/literature/pages.py +14 -0
  38. mat3ra/esse/models/core/reference/modeling/__init__.py +49 -0
  39. mat3ra/esse/models/core/reference/modeling/exabyte.py +42 -0
  40. mat3ra/esse/models/core/reusable/__init__.py +3 -0
  41. mat3ra/esse/models/core/reusable/atomic_data/__init__.py +3 -0
  42. mat3ra/esse/models/core/reusable/atomic_data/per_orbital.py +21 -0
  43. mat3ra/esse/models/core/reusable/atomic_data/per_orbital_pair.py +34 -0
  44. mat3ra/esse/models/core/reusable/atomic_data/value_number.py +16 -0
  45. mat3ra/esse/models/core/reusable/atomic_data/value_string.py +16 -0
  46. mat3ra/esse/models/core/reusable/atomic_data_per_orbital_numeric.py +25 -0
  47. mat3ra/esse/models/core/reusable/atomic_data_per_orbital_pair_numeric.py +38 -0
  48. mat3ra/esse/models/core/reusable/atomic_orbital.py +20 -0
  49. mat3ra/esse/models/core/reusable/atomic_scalars.py +28 -0
  50. mat3ra/esse/models/core/reusable/atomic_strings.py +24 -0
  51. mat3ra/esse/models/core/reusable/atomic_vectors.py +24 -0
  52. mat3ra/esse/models/core/reusable/band_gap.py +42 -0
  53. mat3ra/esse/models/core/reusable/categories.py +43 -0
  54. mat3ra/esse/models/core/reusable/category_path.py +14 -0
  55. mat3ra/esse/models/core/reusable/dielectric_tensor_component.py +31 -0
  56. mat3ra/esse/models/core/reusable/energy.py +30 -0
  57. mat3ra/esse/models/core/reusable/file_metadata.py +24 -0
  58. mat3ra/esse/models/core/reusable/frequency_function_matrix.py +20 -0
  59. mat3ra/esse/models/core/reusable/object_storage_container_data.py +36 -0
  60. mat3ra/esse/models/definitions/__init__.py +3 -0
  61. mat3ra/esse/models/definitions/units.py +13 -0
  62. mat3ra/esse/models/element.py +74 -0
  63. mat3ra/esse/models/in_memory_entity/__init__.py +3 -0
  64. mat3ra/esse/models/in_memory_entity/base.py +58 -0
  65. mat3ra/esse/models/in_memory_entity/defaultable.py +62 -0
  66. mat3ra/esse/models/in_memory_entity/named.py +62 -0
  67. mat3ra/esse/models/in_memory_entity/named_defaultable.py +66 -0
  68. mat3ra/esse/models/in_memory_entity/named_defaultable_has_metadata.py +67 -0
  69. mat3ra/esse/models/in_memory_entity/named_defaultable_runtime_items.py +89 -0
  70. mat3ra/esse/models/job/__init__.py +3006 -0
  71. mat3ra/esse/models/job/base.py +287 -0
  72. mat3ra/esse/models/job/compute.py +161 -0
  73. mat3ra/esse/models/material/__init__.py +420 -0
  74. mat3ra/esse/models/material/conventional.py +13 -0
  75. mat3ra/esse/models/method/__init__.py +28 -0
  76. mat3ra/esse/models/method/categorized_method.py +86 -0
  77. mat3ra/esse/models/method/method_parameters.py +48 -0
  78. mat3ra/esse/models/method/unit_method.py +70 -0
  79. mat3ra/esse/models/methods_category/mathematical/__init__.py +3 -0
  80. mat3ra/esse/models/methods_category/mathematical/diff/__init__.py +48 -0
  81. mat3ra/esse/models/methods_category/mathematical/diff/enum_options.py +13 -0
  82. mat3ra/esse/models/methods_category/mathematical/diff/fd.py +52 -0
  83. mat3ra/esse/models/methods_category/mathematical/discr/__init__.py +48 -0
  84. mat3ra/esse/models/methods_category/mathematical/discr/enum_options.py +13 -0
  85. mat3ra/esse/models/methods_category/mathematical/discr/mesh/__init__.py +52 -0
  86. mat3ra/esse/models/methods_category/mathematical/discr/mesh/enum_options.py +13 -0
  87. mat3ra/esse/models/methods_category/mathematical/discr/mesh/hybrid.py +56 -0
  88. mat3ra/esse/models/methods_category/mathematical/discr/mesh/nstruct.py +56 -0
  89. mat3ra/esse/models/methods_category/mathematical/discr/mesh/struct/__init__.py +56 -0
  90. mat3ra/esse/models/methods_category/mathematical/discr/mesh/struct/cartesian.py +60 -0
  91. mat3ra/esse/models/methods_category/mathematical/discr/mesh/struct/enum_options.py +13 -0
  92. mat3ra/esse/models/methods_category/mathematical/enum_options.py +13 -0
  93. mat3ra/esse/models/methods_category/mathematical/fapprx/__init__.py +48 -0
  94. mat3ra/esse/models/methods_category/mathematical/fapprx/basisexp.py +52 -0
  95. mat3ra/esse/models/methods_category/mathematical/fapprx/enum_options.py +13 -0
  96. mat3ra/esse/models/methods_category/mathematical/fapprx/ipol/__init__.py +52 -0
  97. mat3ra/esse/models/methods_category/mathematical/fapprx/ipol/enum_options.py +13 -0
  98. mat3ra/esse/models/methods_category/mathematical/fapprx/ipol/lin.py +56 -0
  99. mat3ra/esse/models/methods_category/mathematical/fapprx/ipol/poly.py +56 -0
  100. mat3ra/esse/models/methods_category/mathematical/fapprx/ipol/spline.py +56 -0
  101. mat3ra/esse/models/methods_category/mathematical/intgr/__init__.py +48 -0
  102. mat3ra/esse/models/methods_category/mathematical/intgr/analytic/__init__.py +52 -0
  103. mat3ra/esse/models/methods_category/mathematical/intgr/analytic/enum_options.py +13 -0
  104. mat3ra/esse/models/methods_category/mathematical/intgr/analytic/volume.py +67 -0
  105. mat3ra/esse/models/methods_category/mathematical/intgr/diffeq/__init__.py +52 -0
  106. mat3ra/esse/models/methods_category/mathematical/intgr/diffeq/enum_options.py +13 -0
  107. mat3ra/esse/models/methods_category/mathematical/intgr/diffeq/order1.py +56 -0
  108. mat3ra/esse/models/methods_category/mathematical/intgr/diffeq/order2.py +56 -0
  109. mat3ra/esse/models/methods_category/mathematical/intgr/enum_options.py +13 -0
  110. mat3ra/esse/models/methods_category/mathematical/intgr/numquad/__init__.py +52 -0
  111. mat3ra/esse/models/methods_category/mathematical/intgr/numquad/enum_options.py +13 -0
  112. mat3ra/esse/models/methods_category/mathematical/intgr/numquad/gauss.py +56 -0
  113. mat3ra/esse/models/methods_category/mathematical/intgr/numquad/newcot.py +56 -0
  114. mat3ra/esse/models/methods_category/mathematical/intgr/transf/__init__.py +52 -0
  115. mat3ra/esse/models/methods_category/mathematical/intgr/transf/enum_options.py +13 -0
  116. mat3ra/esse/models/methods_category/mathematical/intgr/transf/fourier.py +56 -0
  117. mat3ra/esse/models/methods_category/mathematical/linalg/__init__.py +48 -0
  118. mat3ra/esse/models/methods_category/mathematical/linalg/dcomp.py +52 -0
  119. mat3ra/esse/models/methods_category/mathematical/linalg/diag/__init__.py +52 -0
  120. mat3ra/esse/models/methods_category/mathematical/linalg/diag/davidson.py +56 -0
  121. mat3ra/esse/models/methods_category/mathematical/linalg/diag/enum_options.py +13 -0
  122. mat3ra/esse/models/methods_category/mathematical/linalg/enum_options.py +13 -0
  123. mat3ra/esse/models/methods_category/mathematical/linalg/lintra.py +52 -0
  124. mat3ra/esse/models/methods_category/mathematical/linalg/matf.py +52 -0
  125. mat3ra/esse/models/methods_category/mathematical/opt/__init__.py +48 -0
  126. mat3ra/esse/models/methods_category/mathematical/opt/diff/__init__.py +52 -0
  127. mat3ra/esse/models/methods_category/mathematical/opt/diff/bracket.py +56 -0
  128. mat3ra/esse/models/methods_category/mathematical/opt/diff/enum_options.py +13 -0
  129. mat3ra/esse/models/methods_category/mathematical/opt/diff/local.py +56 -0
  130. mat3ra/esse/models/methods_category/mathematical/opt/diff/order1.py +56 -0
  131. mat3ra/esse/models/methods_category/mathematical/opt/diff/order2.py +56 -0
  132. mat3ra/esse/models/methods_category/mathematical/opt/diff/ordern/__init__.py +56 -0
  133. mat3ra/esse/models/methods_category/mathematical/opt/diff/ordern/cg.py +60 -0
  134. mat3ra/esse/models/methods_category/mathematical/opt/diff/ordern/enum_options.py +13 -0
  135. mat3ra/esse/models/methods_category/mathematical/opt/enum_options.py +13 -0
  136. mat3ra/esse/models/methods_category/mathematical/opt/ndiff/__init__.py +52 -0
  137. mat3ra/esse/models/methods_category/mathematical/opt/ndiff/direct.py +56 -0
  138. mat3ra/esse/models/methods_category/mathematical/opt/ndiff/enum_options.py +13 -0
  139. mat3ra/esse/models/methods_category/mathematical/opt/ndiff/pop.py +56 -0
  140. mat3ra/esse/models/methods_category/mathematical/opt/ndiff/stoch.py +56 -0
  141. mat3ra/esse/models/methods_category/mathematical/opt/root/__init__.py +52 -0
  142. mat3ra/esse/models/methods_category/mathematical/opt/root/bracket.py +56 -0
  143. mat3ra/esse/models/methods_category/mathematical/opt/root/enum_options.py +13 -0
  144. mat3ra/esse/models/methods_category/mathematical/opt/root/iter.py +56 -0
  145. mat3ra/esse/models/methods_category/mathematical/regression.py +54 -0
  146. mat3ra/esse/models/methods_category/physical/__init__.py +3 -0
  147. mat3ra/esse/models/methods_category/physical/enum_options.py +13 -0
  148. mat3ra/esse/models/methods_category/physical/qm/__init__.py +48 -0
  149. mat3ra/esse/models/methods_category/physical/qm/enum_options.py +13 -0
  150. mat3ra/esse/models/methods_category/physical/qm/wf/__init__.py +52 -0
  151. mat3ra/esse/models/methods_category/physical/qm/wf/ao/__init__.py +62 -0
  152. mat3ra/esse/models/methods_category/physical/qm/wf/ao/dunning.py +60 -0
  153. mat3ra/esse/models/methods_category/physical/qm/wf/ao/other.py +60 -0
  154. mat3ra/esse/models/methods_category/physical/qm/wf/ao/pople.py +60 -0
  155. mat3ra/esse/models/methods_category/physical/qm/wf/enum_options.py +13 -0
  156. mat3ra/esse/models/methods_category/physical/qm/wf/psp.py +63 -0
  157. mat3ra/esse/models/methods_category/physical/qm/wf/pw.py +56 -0
  158. mat3ra/esse/models/methods_category/physical/qm/wf/smearing.py +63 -0
  159. mat3ra/esse/models/methods_category/physical/qm/wf/tetrahedron.py +62 -0
  160. mat3ra/esse/models/methods_directory/legacy/__init__.py +3 -0
  161. mat3ra/esse/models/methods_directory/legacy/localorbital.py +37 -0
  162. mat3ra/esse/models/methods_directory/legacy/pseudopotential.py +40 -0
  163. mat3ra/esse/models/methods_directory/legacy/regression.py +118 -0
  164. mat3ra/esse/models/methods_directory/legacy/unknown.py +37 -0
  165. mat3ra/esse/models/methods_directory/mathematical/__init__.py +3 -0
  166. mat3ra/esse/models/methods_directory/mathematical/cg.py +87 -0
  167. mat3ra/esse/models/methods_directory/mathematical/davidson.py +83 -0
  168. mat3ra/esse/models/methods_directory/mathematical/regression/__init__.py +161 -0
  169. mat3ra/esse/models/methods_directory/mathematical/regression/data.py +69 -0
  170. mat3ra/esse/models/methods_directory/mathematical/regression/dataset.py +20 -0
  171. mat3ra/esse/models/methods_directory/mathematical/regression/kernel_ridge/__init__.py +3 -0
  172. mat3ra/esse/models/methods_directory/mathematical/regression/kernel_ridge/data_per_property.py +39 -0
  173. mat3ra/esse/models/methods_directory/mathematical/regression/linear/__init__.py +3 -0
  174. mat3ra/esse/models/methods_directory/mathematical/regression/linear/data_per_property.py +35 -0
  175. mat3ra/esse/models/methods_directory/mathematical/regression/per_feature_item.py +24 -0
  176. mat3ra/esse/models/methods_directory/mathematical/regression/precision.py +28 -0
  177. mat3ra/esse/models/methods_directory/mathematical/regression/precision_per_property.py +24 -0
  178. mat3ra/esse/models/methods_directory/physical/__init__.py +3 -0
  179. mat3ra/esse/models/methods_directory/physical/ao/__init__.py +3 -0
  180. mat3ra/esse/models/methods_directory/physical/ao/dunning.py +103 -0
  181. mat3ra/esse/models/methods_directory/physical/ao/enum_options.py +13 -0
  182. mat3ra/esse/models/methods_directory/physical/ao/other.py +107 -0
  183. mat3ra/esse/models/methods_directory/physical/ao/pople.py +101 -0
  184. mat3ra/esse/models/methods_directory/physical/psp/__init__.py +187 -0
  185. mat3ra/esse/models/methods_directory/physical/psp/file.py +106 -0
  186. mat3ra/esse/models/methods_directory/physical/psp/file_data_item.py +88 -0
  187. mat3ra/esse/models/methods_directory/physical/pw.py +83 -0
  188. mat3ra/esse/models/methods_directory/physical/smearing.py +90 -0
  189. mat3ra/esse/models/methods_directory/physical/tetrahedron.py +91 -0
  190. mat3ra/esse/models/model/__init__.py +43 -0
  191. mat3ra/esse/models/model/categorized_model.py +211 -0
  192. mat3ra/esse/models/model/mixins/__init__.py +3 -0
  193. mat3ra/esse/models/model/mixins/dft/__init__.py +5 -0
  194. mat3ra/esse/models/model/mixins/dft/double_hybrid_functional.py +18 -0
  195. mat3ra/esse/models/model/mixins/dft/enum_options.py +13 -0
  196. mat3ra/esse/models/model/mixins/dft/gga_functional.py +22 -0
  197. mat3ra/esse/models/model/mixins/dft/hybrid_functional.py +19 -0
  198. mat3ra/esse/models/model/mixins/dft/lda_functional.py +21 -0
  199. mat3ra/esse/models/model/mixins/dft/mgga_functional.py +21 -0
  200. mat3ra/esse/models/model/mixins/dispersion_correction.py +21 -0
  201. mat3ra/esse/models/model/mixins/enum_options.py +13 -0
  202. mat3ra/esse/models/model/mixins/hubbard.py +18 -0
  203. mat3ra/esse/models/model/mixins/spin_orbit_coupling.py +16 -0
  204. mat3ra/esse/models/model/mixins/spin_polarization.py +22 -0
  205. mat3ra/esse/models/model/model_parameters.py +123 -0
  206. mat3ra/esse/models/model/model_without_method.py +144 -0
  207. mat3ra/esse/models/models_category/__init__.py +3 -0
  208. mat3ra/esse/models/models_category/enum_options.py +13 -0
  209. mat3ra/esse/models/models_category/pb/__init__.py +48 -0
  210. mat3ra/esse/models/models_category/pb/enum_options.py +13 -0
  211. mat3ra/esse/models/models_category/pb/qm/__init__.py +52 -0
  212. mat3ra/esse/models/models_category/pb/qm/abin/__init__.py +56 -0
  213. mat3ra/esse/models/models_category/pb/qm/abin/enum_options.py +13 -0
  214. mat3ra/esse/models/models_category/pb/qm/abin/gw.py +66 -0
  215. mat3ra/esse/models/models_category/pb/qm/dft/__init__.py +56 -0
  216. mat3ra/esse/models/models_category/pb/qm/dft/enum_options.py +13 -0
  217. mat3ra/esse/models/models_category/pb/qm/dft/ksdft/__init__.py +60 -0
  218. mat3ra/esse/models/models_category/pb/qm/dft/ksdft/double_hybrid.py +64 -0
  219. mat3ra/esse/models/models_category/pb/qm/dft/ksdft/enum_options.py +13 -0
  220. mat3ra/esse/models/models_category/pb/qm/dft/ksdft/gga.py +64 -0
  221. mat3ra/esse/models/models_category/pb/qm/dft/ksdft/hybrid.py +64 -0
  222. mat3ra/esse/models/models_category/pb/qm/dft/ksdft/lda.py +64 -0
  223. mat3ra/esse/models/models_category/pb/qm/dft/ksdft/mgga.py +64 -0
  224. mat3ra/esse/models/models_category/pb/qm/enum_options.py +13 -0
  225. mat3ra/esse/models/models_category/pb/qm/semp.py +56 -0
  226. mat3ra/esse/models/models_category/st/__init__.py +48 -0
  227. mat3ra/esse/models/models_category/st/det/__init__.py +52 -0
  228. mat3ra/esse/models/models_category/st/det/enum_options.py +13 -0
  229. mat3ra/esse/models/models_category/st/det/ml/__init__.py +56 -0
  230. mat3ra/esse/models/models_category/st/det/ml/enum_options.py +13 -0
  231. mat3ra/esse/models/models_category/st/det/ml/re.py +60 -0
  232. mat3ra/esse/models/models_category/st/enum_options.py +13 -0
  233. mat3ra/esse/models/models_directory/__init__.py +3 -0
  234. mat3ra/esse/models/models_directory/double_hybrid.py +205 -0
  235. mat3ra/esse/models/models_directory/gga.py +219 -0
  236. mat3ra/esse/models/models_directory/gw.py +272 -0
  237. mat3ra/esse/models/models_directory/hybrid.py +213 -0
  238. mat3ra/esse/models/models_directory/lda.py +218 -0
  239. mat3ra/esse/models/models_directory/legacy/__init__.py +3 -0
  240. mat3ra/esse/models/models_directory/legacy/dft.py +170 -0
  241. mat3ra/esse/models/models_directory/legacy/ml.py +52 -0
  242. mat3ra/esse/models/models_directory/legacy/unknown.py +52 -0
  243. mat3ra/esse/models/models_directory/mgga.py +218 -0
  244. mat3ra/esse/models/models_directory/re.py +160 -0
  245. mat3ra/esse/models/project.py +82 -0
  246. mat3ra/esse/models/properties_directory/__init__.py +3 -0
  247. mat3ra/esse/models/properties_directory/derived_properties.py +140 -0
  248. mat3ra/esse/models/properties_directory/electronic_configuration.py +20 -0
  249. mat3ra/esse/models/properties_directory/elemental/__init__.py +3 -0
  250. mat3ra/esse/models/properties_directory/elemental/atomic_radius.py +34 -0
  251. mat3ra/esse/models/properties_directory/elemental/electronegativity.py +19 -0
  252. mat3ra/esse/models/properties_directory/elemental/ionization_potential.py +30 -0
  253. mat3ra/esse/models/properties_directory/non_scalar/__init__.py +3 -0
  254. mat3ra/esse/models/properties_directory/non_scalar/average_potential_profile.py +83 -0
  255. mat3ra/esse/models/properties_directory/non_scalar/band_gaps.py +64 -0
  256. mat3ra/esse/models/properties_directory/non_scalar/band_structure.py +92 -0
  257. mat3ra/esse/models/properties_directory/non_scalar/charge_density_profile.py +63 -0
  258. mat3ra/esse/models/properties_directory/non_scalar/density_of_states.py +97 -0
  259. mat3ra/esse/models/properties_directory/non_scalar/dielectric_tensor.py +40 -0
  260. mat3ra/esse/models/properties_directory/non_scalar/file_content.py +64 -0
  261. mat3ra/esse/models/properties_directory/non_scalar/hubbard_u.py +40 -0
  262. mat3ra/esse/models/properties_directory/non_scalar/hubbard_v.py +54 -0
  263. mat3ra/esse/models/properties_directory/non_scalar/hubbard_v_nn.py +54 -0
  264. mat3ra/esse/models/properties_directory/non_scalar/phonon_dispersions.py +79 -0
  265. mat3ra/esse/models/properties_directory/non_scalar/phonon_dos.py +71 -0
  266. mat3ra/esse/models/properties_directory/non_scalar/potential_profile.py +69 -0
  267. mat3ra/esse/models/properties_directory/non_scalar/reaction_energy_profile.py +69 -0
  268. mat3ra/esse/models/properties_directory/non_scalar/stress_tensor.py +31 -0
  269. mat3ra/esse/models/properties_directory/non_scalar/total_energy_contributions.py +198 -0
  270. mat3ra/esse/models/properties_directory/non_scalar/vibrational_spectrum.py +75 -0
  271. mat3ra/esse/models/properties_directory/scalar/__init__.py +3 -0
  272. mat3ra/esse/models/properties_directory/scalar/electron_affinity.py +34 -0
  273. mat3ra/esse/models/properties_directory/scalar/fermi_energy.py +34 -0
  274. mat3ra/esse/models/properties_directory/scalar/formation_energy.py +34 -0
  275. mat3ra/esse/models/properties_directory/scalar/ionization_potential.py +34 -0
  276. mat3ra/esse/models/properties_directory/scalar/pressure.py +25 -0
  277. mat3ra/esse/models/properties_directory/scalar/reaction_energy_barrier.py +34 -0
  278. mat3ra/esse/models/properties_directory/scalar/surface_energy.py +34 -0
  279. mat3ra/esse/models/properties_directory/scalar/total_energy.py +34 -0
  280. mat3ra/esse/models/properties_directory/scalar/total_force.py +29 -0
  281. mat3ra/esse/models/properties_directory/scalar/valence_band_offset.py +34 -0
  282. mat3ra/esse/models/properties_directory/scalar/zero_point_energy.py +34 -0
  283. mat3ra/esse/models/properties_directory/structural/__init__.py +3 -0
  284. mat3ra/esse/models/properties_directory/structural/atomic_forces.py +40 -0
  285. mat3ra/esse/models/properties_directory/structural/basis/__init__.py +68 -0
  286. mat3ra/esse/models/properties_directory/structural/basis/atomic_constraints.py +30 -0
  287. mat3ra/esse/models/properties_directory/structural/basis/atomic_coordinate.py +14 -0
  288. mat3ra/esse/models/properties_directory/structural/basis/atomic_coordinates.py +39 -0
  289. mat3ra/esse/models/properties_directory/structural/basis/atomic_element.py +19 -0
  290. mat3ra/esse/models/properties_directory/structural/basis/bonds.py +40 -0
  291. mat3ra/esse/models/properties_directory/structural/density.py +24 -0
  292. mat3ra/esse/models/properties_directory/structural/elemental_ratio.py +23 -0
  293. mat3ra/esse/models/properties_directory/structural/inchi.py +19 -0
  294. mat3ra/esse/models/properties_directory/structural/inchi_key.py +19 -0
  295. mat3ra/esse/models/properties_directory/structural/lattice/__init__.py +102 -0
  296. mat3ra/esse/models/properties_directory/structural/lattice/lattice_bravais.py +71 -0
  297. mat3ra/esse/models/properties_directory/structural/lattice/lattice_vectors.py +35 -0
  298. mat3ra/esse/models/properties_directory/structural/lattice/type_enum.py +24 -0
  299. mat3ra/esse/models/properties_directory/structural/lattice/type_extended_enum.py +34 -0
  300. mat3ra/esse/models/properties_directory/structural/magnetic_moments.py +35 -0
  301. mat3ra/esse/models/properties_directory/structural/molecular_pattern.py +70 -0
  302. mat3ra/esse/models/properties_directory/structural/p_norm.py +23 -0
  303. mat3ra/esse/models/properties_directory/structural/patterns/__init__.py +3 -0
  304. mat3ra/esse/models/properties_directory/structural/patterns/functional_group.py +37 -0
  305. mat3ra/esse/models/properties_directory/structural/patterns/ring.py +34 -0
  306. mat3ra/esse/models/properties_directory/structural/patterns/special_bond.py +33 -0
  307. mat3ra/esse/models/properties_directory/structural/symmetry.py +39 -0
  308. mat3ra/esse/models/properties_directory/structural/volume.py +24 -0
  309. mat3ra/esse/models/properties_directory/workflow/convergence/__init__.py +3 -0
  310. mat3ra/esse/models/properties_directory/workflow/convergence/electronic.py +26 -0
  311. mat3ra/esse/models/properties_directory/workflow/convergence/ionic.py +63 -0
  312. mat3ra/esse/models/properties_directory/workflow/convergence/kpoint.py +43 -0
  313. mat3ra/esse/models/property/__init__.py +3 -0
  314. mat3ra/esse/models/property/base/The_source_of_a_property/__init__.py +5 -0
  315. mat3ra/esse/models/property/base/The_source_of_a_property/field_This_could_be_an_article__a_simulation_on_Exabyte__an_external_simulation__etc.py +38 -0
  316. mat3ra/esse/models/property/base/__init__.py +232 -0
  317. mat3ra/esse/models/property/meta/The_source_of_a_property/__init__.py +5 -0
  318. mat3ra/esse/models/property/meta/The_source_of_a_property/field_This_could_be_an_article__a_simulation_on_Exabyte__an_external_simulation__etc.py +38 -0
  319. mat3ra/esse/models/property/meta/__init__.py +232 -0
  320. mat3ra/esse/models/property/raw/The_source_of_a_property/__init__.py +5 -0
  321. mat3ra/esse/models/property/raw/The_source_of_a_property/field_This_could_be_an_article__a_simulation_on_Exabyte__an_external_simulation__etc.py +38 -0
  322. mat3ra/esse/models/property/raw/__init__.py +232 -0
  323. mat3ra/esse/models/property/source/The_source_of_a_property/__init__.py +5 -0
  324. mat3ra/esse/models/property/source/The_source_of_a_property/field_This_could_be_an_article__a_simulation_on_Exabyte__an_external_simulation__etc.py +38 -0
  325. mat3ra/esse/models/property/source/__init__.py +150 -0
  326. mat3ra/esse/models/software/__init__.py +3 -0
  327. mat3ra/esse/models/software/application.py +93 -0
  328. mat3ra/esse/models/software/executable.py +97 -0
  329. mat3ra/esse/models/software/flavor.py +116 -0
  330. mat3ra/esse/models/software/template.py +77 -0
  331. mat3ra/esse/models/software_directory/ml/__init__.py +3 -0
  332. mat3ra/esse/models/software_directory/ml/exabyteml.py +28 -0
  333. mat3ra/esse/models/software_directory/ml/unit/__init__.py +3 -0
  334. mat3ra/esse/models/software_directory/ml/unit/execution/__init__.py +1348 -0
  335. mat3ra/esse/models/software_directory/ml/unit/execution/evaluate/__init__.py +5 -0
  336. mat3ra/esse/models/software_directory/ml/unit/execution/evaluate/cross_validate.py +381 -0
  337. mat3ra/esse/models/software_directory/ml/unit/execution/initialize.py +381 -0
  338. mat3ra/esse/models/software_directory/ml/unit/execution/score.py +374 -0
  339. mat3ra/esse/models/software_directory/ml/unit/execution/train.py +385 -0
  340. mat3ra/esse/models/software_directory/ml/unit/processing/__init__.py +328 -0
  341. mat3ra/esse/models/software_directory/ml/unit/processing/data_transformation/__init__.py +199 -0
  342. mat3ra/esse/models/software_directory/ml/unit/processing/data_transformation/manipulation.py +176 -0
  343. mat3ra/esse/models/software_directory/ml/unit/processing/data_transformation/scale_and_reduce.py +195 -0
  344. mat3ra/esse/models/software_directory/ml/unit/processing/feature_selection/__init__.py +180 -0
  345. mat3ra/esse/models/software_directory/ml/unit/processing/feature_selection/filter_based.py +176 -0
  346. mat3ra/esse/models/software_directory/modeling/__init__.py +3 -0
  347. mat3ra/esse/models/software_directory/modeling/deepmd.py +112 -0
  348. mat3ra/esse/models/software_directory/modeling/espresso/__init__.py +39 -0
  349. mat3ra/esse/models/software_directory/modeling/espresso/arguments.py +35 -0
  350. mat3ra/esse/models/software_directory/modeling/nwchem.py +113 -0
  351. mat3ra/esse/models/software_directory/modeling/unit/__init__.py +3 -0
  352. mat3ra/esse/models/software_directory/modeling/unit/execution.py +390 -0
  353. mat3ra/esse/models/software_directory/modeling/vasp.py +117 -0
  354. mat3ra/esse/models/software_directory/scripting/__init__.py +3 -0
  355. mat3ra/esse/models/software_directory/scripting/jupyter_lab.py +115 -0
  356. mat3ra/esse/models/software_directory/scripting/python.py +129 -0
  357. mat3ra/esse/models/software_directory/scripting/shell.py +129 -0
  358. mat3ra/esse/models/software_directory/scripting/unit/__init__.py +3 -0
  359. mat3ra/esse/models/software_directory/scripting/unit/execution.py +390 -0
  360. mat3ra/esse/models/system/__init__.py +3 -0
  361. mat3ra/esse/models/system/_material.py +29 -0
  362. mat3ra/esse/models/system/_parent_job.py +29 -0
  363. mat3ra/esse/models/system/_project.py +29 -0
  364. mat3ra/esse/models/system/bankable.py +20 -0
  365. mat3ra/esse/models/system/consistency_check.py +40 -0
  366. mat3ra/esse/models/system/creator.py +29 -0
  367. mat3ra/esse/models/system/creator_account.py +28 -0
  368. mat3ra/esse/models/system/database_source.py +36 -0
  369. mat3ra/esse/models/system/defaultable.py +16 -0
  370. mat3ra/esse/models/system/description.py +17 -0
  371. mat3ra/esse/models/system/entity_reference.py +24 -0
  372. mat3ra/esse/models/system/file_source.py +28 -0
  373. mat3ra/esse/models/system/history.py +18 -0
  374. mat3ra/esse/models/system/iframe_message.py +36 -0
  375. mat3ra/esse/models/system/in_set.py +30 -0
  376. mat3ra/esse/models/system/is_multi_material.py +13 -0
  377. mat3ra/esse/models/system/is_outdated.py +13 -0
  378. mat3ra/esse/models/system/job_extended.py +36 -0
  379. mat3ra/esse/models/system/message.py +59 -0
  380. mat3ra/esse/models/system/metadata.py +13 -0
  381. mat3ra/esse/models/system/name.py +16 -0
  382. mat3ra/esse/models/system/owner.py +29 -0
  383. mat3ra/esse/models/system/path.py +16 -0
  384. mat3ra/esse/models/system/path_entity.py +20 -0
  385. mat3ra/esse/models/system/schema_version.py +16 -0
  386. mat3ra/esse/models/system/scope.py +13 -0
  387. mat3ra/esse/models/system/set.py +15 -0
  388. mat3ra/esse/models/system/sharing.py +13 -0
  389. mat3ra/esse/models/system/soft_removable.py +20 -0
  390. mat3ra/esse/models/system/status.py +20 -0
  391. mat3ra/esse/models/system/tags.py +16 -0
  392. mat3ra/esse/models/system/timestampable.py +22 -0
  393. mat3ra/esse/models/system/use_values.py +13 -0
  394. mat3ra/esse/models/third_party/db/nist_jarvis/2024.3.13/__init__.py +3 -0
  395. mat3ra/esse/models/third_party/db/nist_jarvis/2024.3.13/atoms.py +41 -0
  396. mat3ra/esse/models/third_party/db/nist_jarvis/2024.3.13/db_entry.py +55 -0
  397. mat3ra/esse/models/third_party/file/applications/espresso/7.2/__init__.py +3 -0
  398. mat3ra/esse/models/third_party/file/applications/espresso/7.2/pw.x/__init__.py +1990 -0
  399. mat3ra/esse/models/third_party/file/applications/espresso/7.2/pw.x/atomic_positions.py +51 -0
  400. mat3ra/esse/models/third_party/file/applications/espresso/7.2/pw.x/atomic_species.py +34 -0
  401. mat3ra/esse/models/third_party/file/applications/espresso/7.2/pw.x/cell.py +111 -0
  402. mat3ra/esse/models/third_party/file/applications/espresso/7.2/pw.x/cell_parameters.py +36 -0
  403. mat3ra/esse/models/third_party/file/applications/espresso/7.2/pw.x/control.py +169 -0
  404. mat3ra/esse/models/third_party/file/applications/espresso/7.2/pw.x/electrons.py +139 -0
  405. mat3ra/esse/models/third_party/file/applications/espresso/7.2/pw.x/hubbard.py +194 -0
  406. mat3ra/esse/models/third_party/file/applications/espresso/7.2/pw.x/ions.py +422 -0
  407. mat3ra/esse/models/third_party/file/applications/espresso/7.2/pw.x/k_points.py +73 -0
  408. mat3ra/esse/models/third_party/file/applications/espresso/7.2/pw.x/system.py +841 -0
  409. mat3ra/esse/models/workflow/__init__.py +2817 -0
  410. mat3ra/esse/models/workflow/base.py +79 -0
  411. mat3ra/esse/models/workflow/base_flow.py +180 -0
  412. mat3ra/esse/models/workflow/scope.py +14 -0
  413. mat3ra/esse/models/workflow/subworkflow/__init__.py +1472 -0
  414. mat3ra/esse/models/workflow/subworkflow/unit.py +1187 -0
  415. mat3ra/esse/models/workflow/unit/__init__.py +1415 -0
  416. mat3ra/esse/models/workflow/unit/assertion.py +149 -0
  417. mat3ra/esse/models/workflow/unit/assignment.py +165 -0
  418. mat3ra/esse/models/workflow/unit/base.py +137 -0
  419. mat3ra/esse/models/workflow/unit/condition.py +176 -0
  420. mat3ra/esse/models/workflow/unit/execution.py +374 -0
  421. mat3ra/esse/models/workflow/unit/input/__init__.py +3 -0
  422. mat3ra/esse/models/workflow/unit/input/_input.py +43 -0
  423. mat3ra/esse/models/workflow/unit/input/_inputItem.py +18 -0
  424. mat3ra/esse/models/workflow/unit/input/_inputItemId.py +21 -0
  425. mat3ra/esse/models/workflow/unit/input/_inputItemScope.py +18 -0
  426. mat3ra/esse/models/workflow/unit/input/_map_input/__init__.py +17 -0
  427. mat3ra/esse/models/workflow/unit/input/_map_input/values.py +13 -0
  428. mat3ra/esse/models/workflow/unit/io/__init__.py +254 -0
  429. mat3ra/esse/models/workflow/unit/io/api.py +27 -0
  430. mat3ra/esse/models/workflow/unit/io/db.py +39 -0
  431. mat3ra/esse/models/workflow/unit/io/object_storage.py +59 -0
  432. mat3ra/esse/models/workflow/unit/map.py +169 -0
  433. mat3ra/esse/models/workflow/unit/processing.py +153 -0
  434. mat3ra/esse/models/workflow/unit/reduce.py +160 -0
  435. mat3ra/esse/models/workflow/unit/runtime/__init__.py +3 -0
  436. mat3ra/esse/models/workflow/unit/runtime/_runtime_item_full_object.py +14 -0
  437. mat3ra/esse/models/workflow/unit/runtime/_runtime_item_name_object.py +14 -0
  438. mat3ra/esse/models/workflow/unit/runtime/_runtime_item_string.py +14 -0
  439. mat3ra/esse/models/workflow/unit/runtime/runtime_item.py +20 -0
  440. mat3ra/esse/models/workflow/unit/runtime/runtime_items.py +35 -0
  441. mat3ra/esse/models/workflow/unit/subworkflow.py +141 -0
  442. {mat3ra_esse-2024.4.8.post1.dist-info → mat3ra_esse-2024.4.8.post2.dist-info}/METADATA +1 -1
  443. mat3ra_esse-2024.4.8.post2.dist-info/RECORD +453 -0
  444. mat3ra_esse-2024.4.8.post1.dist-info/RECORD +0 -12
  445. {mat3ra_esse-2024.4.8.post1.dist-info → mat3ra_esse-2024.4.8.post2.dist-info}/LICENSE.md +0 -0
  446. {mat3ra_esse-2024.4.8.post1.dist-info → mat3ra_esse-2024.4.8.post2.dist-info}/WHEEL +0 -0
  447. {mat3ra_esse-2024.4.8.post1.dist-info → mat3ra_esse-2024.4.8.post2.dist-info}/top_level.txt +0 -0
@@ -0,0 +1,48 @@
1
+ # generated by datamodel-codegen:
2
+ # filename: methods_category/mathematical/diff.json
3
+ # version: 0.25.5
4
+
5
+ from __future__ import annotations
6
+
7
+ from enum import Enum
8
+ from typing import Optional, Union
9
+
10
+ from pydantic import BaseModel, Field
11
+
12
+
13
+ class SlugifiedEntry(BaseModel):
14
+ name: str
15
+ """
16
+ descriptive human-readable name of entry
17
+ """
18
+ slug: str
19
+ """
20
+ machine-readable identifier
21
+ """
22
+
23
+
24
+ class SlugifiedEntryOrSlug(Enum):
25
+ diff = "diff"
26
+
27
+
28
+ class NumericalDifferentiationCategorySchema(BaseModel):
29
+ tier1: Optional[Union[SlugifiedEntry, SlugifiedEntryOrSlug]] = Field(None, title="slugified entry or slug")
30
+ """
31
+ contains either object with slugified entry or slug only as a string
32
+ """
33
+ tier2: Optional[Union[SlugifiedEntry, str]] = Field(None, title="slugified entry or slug")
34
+ """
35
+ contains either object with slugified entry or slug only as a string
36
+ """
37
+ tier3: Optional[Union[SlugifiedEntry, str]] = Field(None, title="slugified entry or slug")
38
+ """
39
+ contains either object with slugified entry or slug only as a string
40
+ """
41
+ type: Optional[Union[SlugifiedEntry, str]] = Field(None, title="slugified entry or slug")
42
+ """
43
+ contains either object with slugified entry or slug only as a string
44
+ """
45
+ subtype: Optional[Union[SlugifiedEntry, str]] = Field(None, title="slugified entry or slug")
46
+ """
47
+ contains either object with slugified entry or slug only as a string
48
+ """
@@ -0,0 +1,13 @@
1
+ # generated by datamodel-codegen:
2
+ # filename: methods_category/mathematical/diff/enum_options.json
3
+ # version: 0.25.5
4
+
5
+ from __future__ import annotations
6
+
7
+ from typing import Any
8
+
9
+ from pydantic import RootModel
10
+
11
+
12
+ class ESSE(RootModel[Any]):
13
+ root: Any
@@ -0,0 +1,52 @@
1
+ # generated by datamodel-codegen:
2
+ # filename: methods_category/mathematical/diff/fd.json
3
+ # version: 0.25.5
4
+
5
+ from __future__ import annotations
6
+
7
+ from enum import Enum
8
+ from typing import Optional, Union
9
+
10
+ from pydantic import BaseModel, Field
11
+
12
+
13
+ class SlugifiedEntry(BaseModel):
14
+ name: str
15
+ """
16
+ descriptive human-readable name of entry
17
+ """
18
+ slug: str
19
+ """
20
+ machine-readable identifier
21
+ """
22
+
23
+
24
+ class SlugifiedEntryOrSlug(Enum):
25
+ fd = "fd"
26
+
27
+
28
+ class SlugifiedEntryOrSlug73(Enum):
29
+ diff = "diff"
30
+
31
+
32
+ class FiniteDifferenceMethodCategorySchema(BaseModel):
33
+ tier2: Optional[Union[SlugifiedEntry, SlugifiedEntryOrSlug]] = Field(None, title="slugified entry or slug")
34
+ """
35
+ contains either object with slugified entry or slug only as a string
36
+ """
37
+ tier1: Optional[Union[SlugifiedEntry, SlugifiedEntryOrSlug73]] = Field(None, title="slugified entry or slug")
38
+ """
39
+ contains either object with slugified entry or slug only as a string
40
+ """
41
+ tier3: Optional[Union[SlugifiedEntry, str]] = Field(None, title="slugified entry or slug")
42
+ """
43
+ contains either object with slugified entry or slug only as a string
44
+ """
45
+ type: Optional[Union[SlugifiedEntry, str]] = Field(None, title="slugified entry or slug")
46
+ """
47
+ contains either object with slugified entry or slug only as a string
48
+ """
49
+ subtype: Optional[Union[SlugifiedEntry, str]] = Field(None, title="slugified entry or slug")
50
+ """
51
+ contains either object with slugified entry or slug only as a string
52
+ """
@@ -0,0 +1,48 @@
1
+ # generated by datamodel-codegen:
2
+ # filename: methods_category/mathematical/discr.json
3
+ # version: 0.25.5
4
+
5
+ from __future__ import annotations
6
+
7
+ from enum import Enum
8
+ from typing import Optional, Union
9
+
10
+ from pydantic import BaseModel, Field
11
+
12
+
13
+ class SlugifiedEntry(BaseModel):
14
+ name: str
15
+ """
16
+ descriptive human-readable name of entry
17
+ """
18
+ slug: str
19
+ """
20
+ machine-readable identifier
21
+ """
22
+
23
+
24
+ class SlugifiedEntryOrSlug(Enum):
25
+ discr = "discr"
26
+
27
+
28
+ class DiscretizationCategorySchema(BaseModel):
29
+ tier1: Optional[Union[SlugifiedEntry, SlugifiedEntryOrSlug]] = Field(None, title="slugified entry or slug")
30
+ """
31
+ contains either object with slugified entry or slug only as a string
32
+ """
33
+ tier2: Optional[Union[SlugifiedEntry, str]] = Field(None, title="slugified entry or slug")
34
+ """
35
+ contains either object with slugified entry or slug only as a string
36
+ """
37
+ tier3: Optional[Union[SlugifiedEntry, str]] = Field(None, title="slugified entry or slug")
38
+ """
39
+ contains either object with slugified entry or slug only as a string
40
+ """
41
+ type: Optional[Union[SlugifiedEntry, str]] = Field(None, title="slugified entry or slug")
42
+ """
43
+ contains either object with slugified entry or slug only as a string
44
+ """
45
+ subtype: Optional[Union[SlugifiedEntry, str]] = Field(None, title="slugified entry or slug")
46
+ """
47
+ contains either object with slugified entry or slug only as a string
48
+ """
@@ -0,0 +1,13 @@
1
+ # generated by datamodel-codegen:
2
+ # filename: methods_category/mathematical/discr/enum_options.json
3
+ # version: 0.25.5
4
+
5
+ from __future__ import annotations
6
+
7
+ from typing import Any
8
+
9
+ from pydantic import RootModel
10
+
11
+
12
+ class ESSE(RootModel[Any]):
13
+ root: Any
@@ -0,0 +1,52 @@
1
+ # generated by datamodel-codegen:
2
+ # filename: methods_category/mathematical/discr/mesh.json
3
+ # version: 0.25.5
4
+
5
+ from __future__ import annotations
6
+
7
+ from enum import Enum
8
+ from typing import Optional, Union
9
+
10
+ from pydantic import BaseModel, Field
11
+
12
+
13
+ class SlugifiedEntry(BaseModel):
14
+ name: str
15
+ """
16
+ descriptive human-readable name of entry
17
+ """
18
+ slug: str
19
+ """
20
+ machine-readable identifier
21
+ """
22
+
23
+
24
+ class SlugifiedEntryOrSlug(Enum):
25
+ mesh = "mesh"
26
+
27
+
28
+ class SlugifiedEntryOrSlug145(Enum):
29
+ discr = "discr"
30
+
31
+
32
+ class MeshingMethodCategorySchema(BaseModel):
33
+ tier2: Optional[Union[SlugifiedEntry, SlugifiedEntryOrSlug]] = Field(None, title="slugified entry or slug")
34
+ """
35
+ contains either object with slugified entry or slug only as a string
36
+ """
37
+ tier1: Optional[Union[SlugifiedEntry, SlugifiedEntryOrSlug145]] = Field(None, title="slugified entry or slug")
38
+ """
39
+ contains either object with slugified entry or slug only as a string
40
+ """
41
+ tier3: Optional[Union[SlugifiedEntry, str]] = Field(None, title="slugified entry or slug")
42
+ """
43
+ contains either object with slugified entry or slug only as a string
44
+ """
45
+ type: Optional[Union[SlugifiedEntry, str]] = Field(None, title="slugified entry or slug")
46
+ """
47
+ contains either object with slugified entry or slug only as a string
48
+ """
49
+ subtype: Optional[Union[SlugifiedEntry, str]] = Field(None, title="slugified entry or slug")
50
+ """
51
+ contains either object with slugified entry or slug only as a string
52
+ """
@@ -0,0 +1,13 @@
1
+ # generated by datamodel-codegen:
2
+ # filename: methods_category/mathematical/discr/mesh/enum_options.json
3
+ # version: 0.25.5
4
+
5
+ from __future__ import annotations
6
+
7
+ from typing import Any
8
+
9
+ from pydantic import RootModel
10
+
11
+
12
+ class ESSE(RootModel[Any]):
13
+ root: Any
@@ -0,0 +1,56 @@
1
+ # generated by datamodel-codegen:
2
+ # filename: methods_category/mathematical/discr/mesh/hybrid.json
3
+ # version: 0.25.5
4
+
5
+ from __future__ import annotations
6
+
7
+ from enum import Enum
8
+ from typing import Optional, Union
9
+
10
+ from pydantic import BaseModel, Field
11
+
12
+
13
+ class SlugifiedEntry(BaseModel):
14
+ name: str
15
+ """
16
+ descriptive human-readable name of entry
17
+ """
18
+ slug: str
19
+ """
20
+ machine-readable identifier
21
+ """
22
+
23
+
24
+ class SlugifiedEntryOrSlug(Enum):
25
+ hybrid = "hybrid"
26
+
27
+
28
+ class SlugifiedEntryOrSlug106(Enum):
29
+ mesh = "mesh"
30
+
31
+
32
+ class SlugifiedEntryOrSlug107(Enum):
33
+ discr = "discr"
34
+
35
+
36
+ class HybridMeshingCategorySchema(BaseModel):
37
+ tier3: Optional[Union[SlugifiedEntry, SlugifiedEntryOrSlug]] = Field(None, title="slugified entry or slug")
38
+ """
39
+ contains either object with slugified entry or slug only as a string
40
+ """
41
+ tier2: Optional[Union[SlugifiedEntry, SlugifiedEntryOrSlug106]] = Field(None, title="slugified entry or slug")
42
+ """
43
+ contains either object with slugified entry or slug only as a string
44
+ """
45
+ tier1: Optional[Union[SlugifiedEntry, SlugifiedEntryOrSlug107]] = Field(None, title="slugified entry or slug")
46
+ """
47
+ contains either object with slugified entry or slug only as a string
48
+ """
49
+ type: Optional[Union[SlugifiedEntry, str]] = Field(None, title="slugified entry or slug")
50
+ """
51
+ contains either object with slugified entry or slug only as a string
52
+ """
53
+ subtype: Optional[Union[SlugifiedEntry, str]] = Field(None, title="slugified entry or slug")
54
+ """
55
+ contains either object with slugified entry or slug only as a string
56
+ """
@@ -0,0 +1,56 @@
1
+ # generated by datamodel-codegen:
2
+ # filename: methods_category/mathematical/discr/mesh/nstruct.json
3
+ # version: 0.25.5
4
+
5
+ from __future__ import annotations
6
+
7
+ from enum import Enum
8
+ from typing import Optional, Union
9
+
10
+ from pydantic import BaseModel, Field
11
+
12
+
13
+ class SlugifiedEntry(BaseModel):
14
+ name: str
15
+ """
16
+ descriptive human-readable name of entry
17
+ """
18
+ slug: str
19
+ """
20
+ machine-readable identifier
21
+ """
22
+
23
+
24
+ class SlugifiedEntryOrSlug(Enum):
25
+ nstruct = "nstruct"
26
+
27
+
28
+ class SlugifiedEntryOrSlug165(Enum):
29
+ mesh = "mesh"
30
+
31
+
32
+ class SlugifiedEntryOrSlug166(Enum):
33
+ discr = "discr"
34
+
35
+
36
+ class UnstructuredMeshingCategoryNstructSchema(BaseModel):
37
+ tier3: Optional[Union[SlugifiedEntry, SlugifiedEntryOrSlug]] = Field(None, title="slugified entry or slug")
38
+ """
39
+ contains either object with slugified entry or slug only as a string
40
+ """
41
+ tier2: Optional[Union[SlugifiedEntry, SlugifiedEntryOrSlug165]] = Field(None, title="slugified entry or slug")
42
+ """
43
+ contains either object with slugified entry or slug only as a string
44
+ """
45
+ tier1: Optional[Union[SlugifiedEntry, SlugifiedEntryOrSlug166]] = Field(None, title="slugified entry or slug")
46
+ """
47
+ contains either object with slugified entry or slug only as a string
48
+ """
49
+ type: Optional[Union[SlugifiedEntry, str]] = Field(None, title="slugified entry or slug")
50
+ """
51
+ contains either object with slugified entry or slug only as a string
52
+ """
53
+ subtype: Optional[Union[SlugifiedEntry, str]] = Field(None, title="slugified entry or slug")
54
+ """
55
+ contains either object with slugified entry or slug only as a string
56
+ """
@@ -0,0 +1,56 @@
1
+ # generated by datamodel-codegen:
2
+ # filename: methods_category/mathematical/discr/mesh/struct.json
3
+ # version: 0.25.5
4
+
5
+ from __future__ import annotations
6
+
7
+ from enum import Enum
8
+ from typing import Optional, Union
9
+
10
+ from pydantic import BaseModel, Field
11
+
12
+
13
+ class SlugifiedEntry(BaseModel):
14
+ name: str
15
+ """
16
+ descriptive human-readable name of entry
17
+ """
18
+ slug: str
19
+ """
20
+ machine-readable identifier
21
+ """
22
+
23
+
24
+ class SlugifiedEntryOrSlug(Enum):
25
+ struct = "struct"
26
+
27
+
28
+ class SlugifiedEntryOrSlug258(Enum):
29
+ mesh = "mesh"
30
+
31
+
32
+ class SlugifiedEntryOrSlug259(Enum):
33
+ discr = "discr"
34
+
35
+
36
+ class StructuredMeshingCategorySchema(BaseModel):
37
+ tier3: Optional[Union[SlugifiedEntry, SlugifiedEntryOrSlug]] = Field(None, title="slugified entry or slug")
38
+ """
39
+ contains either object with slugified entry or slug only as a string
40
+ """
41
+ tier2: Optional[Union[SlugifiedEntry, SlugifiedEntryOrSlug258]] = Field(None, title="slugified entry or slug")
42
+ """
43
+ contains either object with slugified entry or slug only as a string
44
+ """
45
+ tier1: Optional[Union[SlugifiedEntry, SlugifiedEntryOrSlug259]] = Field(None, title="slugified entry or slug")
46
+ """
47
+ contains either object with slugified entry or slug only as a string
48
+ """
49
+ type: Optional[Union[SlugifiedEntry, str]] = Field(None, title="slugified entry or slug")
50
+ """
51
+ contains either object with slugified entry or slug only as a string
52
+ """
53
+ subtype: Optional[Union[SlugifiedEntry, str]] = Field(None, title="slugified entry or slug")
54
+ """
55
+ contains either object with slugified entry or slug only as a string
56
+ """
@@ -0,0 +1,60 @@
1
+ # generated by datamodel-codegen:
2
+ # filename: methods_category/mathematical/discr/mesh/struct/cartesian.json
3
+ # version: 0.25.5
4
+
5
+ from __future__ import annotations
6
+
7
+ from enum import Enum
8
+ from typing import Optional, Union
9
+
10
+ from pydantic import BaseModel, Field
11
+
12
+
13
+ class SlugifiedEntry(BaseModel):
14
+ name: str
15
+ """
16
+ descriptive human-readable name of entry
17
+ """
18
+ slug: str
19
+ """
20
+ machine-readable identifier
21
+ """
22
+
23
+
24
+ class SlugifiedEntryOrSlug(Enum):
25
+ cartesian = "cartesian"
26
+
27
+
28
+ class SlugifiedEntryOrSlug18(Enum):
29
+ struct = "struct"
30
+
31
+
32
+ class SlugifiedEntryOrSlug19(Enum):
33
+ mesh = "mesh"
34
+
35
+
36
+ class SlugifiedEntryOrSlug20(Enum):
37
+ discr = "discr"
38
+
39
+
40
+ class CartesianGridSchema(BaseModel):
41
+ type: Optional[Union[SlugifiedEntry, SlugifiedEntryOrSlug]] = Field(None, title="slugified entry or slug")
42
+ """
43
+ contains either object with slugified entry or slug only as a string
44
+ """
45
+ tier3: Optional[Union[SlugifiedEntry, SlugifiedEntryOrSlug18]] = Field(None, title="slugified entry or slug")
46
+ """
47
+ contains either object with slugified entry or slug only as a string
48
+ """
49
+ tier2: Optional[Union[SlugifiedEntry, SlugifiedEntryOrSlug19]] = Field(None, title="slugified entry or slug")
50
+ """
51
+ contains either object with slugified entry or slug only as a string
52
+ """
53
+ tier1: Optional[Union[SlugifiedEntry, SlugifiedEntryOrSlug20]] = Field(None, title="slugified entry or slug")
54
+ """
55
+ contains either object with slugified entry or slug only as a string
56
+ """
57
+ subtype: Optional[Union[SlugifiedEntry, str]] = Field(None, title="slugified entry or slug")
58
+ """
59
+ contains either object with slugified entry or slug only as a string
60
+ """
@@ -0,0 +1,13 @@
1
+ # generated by datamodel-codegen:
2
+ # filename: methods_category/mathematical/discr/mesh/struct/enum_options.json
3
+ # version: 0.25.5
4
+
5
+ from __future__ import annotations
6
+
7
+ from typing import Any
8
+
9
+ from pydantic import RootModel
10
+
11
+
12
+ class ESSE(RootModel[Any]):
13
+ root: Any
@@ -0,0 +1,13 @@
1
+ # generated by datamodel-codegen:
2
+ # filename: methods_category/mathematical/enum_options.json
3
+ # version: 0.25.5
4
+
5
+ from __future__ import annotations
6
+
7
+ from typing import Any
8
+
9
+ from pydantic import RootModel
10
+
11
+
12
+ class ESSE(RootModel[Any]):
13
+ root: Any
@@ -0,0 +1,48 @@
1
+ # generated by datamodel-codegen:
2
+ # filename: methods_category/mathematical/fapprx.json
3
+ # version: 0.25.5
4
+
5
+ from __future__ import annotations
6
+
7
+ from enum import Enum
8
+ from typing import Optional, Union
9
+
10
+ from pydantic import BaseModel, Field
11
+
12
+
13
+ class SlugifiedEntry(BaseModel):
14
+ name: str
15
+ """
16
+ descriptive human-readable name of entry
17
+ """
18
+ slug: str
19
+ """
20
+ machine-readable identifier
21
+ """
22
+
23
+
24
+ class SlugifiedEntryOrSlug(Enum):
25
+ fapprx = "fapprx"
26
+
27
+
28
+ class UnstructuredMeshingCategoryFapprxSchema(BaseModel):
29
+ tier1: Optional[Union[SlugifiedEntry, SlugifiedEntryOrSlug]] = Field(None, title="slugified entry or slug")
30
+ """
31
+ contains either object with slugified entry or slug only as a string
32
+ """
33
+ tier2: Optional[Union[SlugifiedEntry, str]] = Field(None, title="slugified entry or slug")
34
+ """
35
+ contains either object with slugified entry or slug only as a string
36
+ """
37
+ tier3: Optional[Union[SlugifiedEntry, str]] = Field(None, title="slugified entry or slug")
38
+ """
39
+ contains either object with slugified entry or slug only as a string
40
+ """
41
+ type: Optional[Union[SlugifiedEntry, str]] = Field(None, title="slugified entry or slug")
42
+ """
43
+ contains either object with slugified entry or slug only as a string
44
+ """
45
+ subtype: Optional[Union[SlugifiedEntry, str]] = Field(None, title="slugified entry or slug")
46
+ """
47
+ contains either object with slugified entry or slug only as a string
48
+ """
@@ -0,0 +1,52 @@
1
+ # generated by datamodel-codegen:
2
+ # filename: methods_category/mathematical/fapprx/basisexp.json
3
+ # version: 0.25.5
4
+
5
+ from __future__ import annotations
6
+
7
+ from enum import Enum
8
+ from typing import Optional, Union
9
+
10
+ from pydantic import BaseModel, Field
11
+
12
+
13
+ class SlugifiedEntry(BaseModel):
14
+ name: str
15
+ """
16
+ descriptive human-readable name of entry
17
+ """
18
+ slug: str
19
+ """
20
+ machine-readable identifier
21
+ """
22
+
23
+
24
+ class SlugifiedEntryOrSlug(Enum):
25
+ basisExp = "basisExp"
26
+
27
+
28
+ class SlugifiedEntryOrSlug10(Enum):
29
+ fapprx = "fapprx"
30
+
31
+
32
+ class BasisExpansionCategorySchema(BaseModel):
33
+ tier2: Optional[Union[SlugifiedEntry, SlugifiedEntryOrSlug]] = Field(None, title="slugified entry or slug")
34
+ """
35
+ contains either object with slugified entry or slug only as a string
36
+ """
37
+ tier1: Optional[Union[SlugifiedEntry, SlugifiedEntryOrSlug10]] = Field(None, title="slugified entry or slug")
38
+ """
39
+ contains either object with slugified entry or slug only as a string
40
+ """
41
+ tier3: Optional[Union[SlugifiedEntry, str]] = Field(None, title="slugified entry or slug")
42
+ """
43
+ contains either object with slugified entry or slug only as a string
44
+ """
45
+ type: Optional[Union[SlugifiedEntry, str]] = Field(None, title="slugified entry or slug")
46
+ """
47
+ contains either object with slugified entry or slug only as a string
48
+ """
49
+ subtype: Optional[Union[SlugifiedEntry, str]] = Field(None, title="slugified entry or slug")
50
+ """
51
+ contains either object with slugified entry or slug only as a string
52
+ """
@@ -0,0 +1,13 @@
1
+ # generated by datamodel-codegen:
2
+ # filename: methods_category/mathematical/fapprx/enum_options.json
3
+ # version: 0.25.5
4
+
5
+ from __future__ import annotations
6
+
7
+ from typing import Any
8
+
9
+ from pydantic import RootModel
10
+
11
+
12
+ class ESSE(RootModel[Any]):
13
+ root: Any
@@ -0,0 +1,52 @@
1
+ # generated by datamodel-codegen:
2
+ # filename: methods_category/mathematical/fapprx/ipol.json
3
+ # version: 0.25.5
4
+
5
+ from __future__ import annotations
6
+
7
+ from enum import Enum
8
+ from typing import Optional, Union
9
+
10
+ from pydantic import BaseModel, Field
11
+
12
+
13
+ class SlugifiedEntry(BaseModel):
14
+ name: str
15
+ """
16
+ descriptive human-readable name of entry
17
+ """
18
+ slug: str
19
+ """
20
+ machine-readable identifier
21
+ """
22
+
23
+
24
+ class SlugifiedEntryOrSlug(Enum):
25
+ ipol = "ipol"
26
+
27
+
28
+ class SlugifiedEntryOrSlug115(Enum):
29
+ fapprx = "fapprx"
30
+
31
+
32
+ class InterpolationCategorySchema(BaseModel):
33
+ tier2: Optional[Union[SlugifiedEntry, SlugifiedEntryOrSlug]] = Field(None, title="slugified entry or slug")
34
+ """
35
+ contains either object with slugified entry or slug only as a string
36
+ """
37
+ tier1: Optional[Union[SlugifiedEntry, SlugifiedEntryOrSlug115]] = Field(None, title="slugified entry or slug")
38
+ """
39
+ contains either object with slugified entry or slug only as a string
40
+ """
41
+ tier3: Optional[Union[SlugifiedEntry, str]] = Field(None, title="slugified entry or slug")
42
+ """
43
+ contains either object with slugified entry or slug only as a string
44
+ """
45
+ type: Optional[Union[SlugifiedEntry, str]] = Field(None, title="slugified entry or slug")
46
+ """
47
+ contains either object with slugified entry or slug only as a string
48
+ """
49
+ subtype: Optional[Union[SlugifiedEntry, str]] = Field(None, title="slugified entry or slug")
50
+ """
51
+ contains either object with slugified entry or slug only as a string
52
+ """