mat3ra-esse 2024.4.8.post1__py3-none-any.whl → 2024.4.8.post3__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.
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.post3.dist-info}/METADATA +3 -1
  443. mat3ra_esse-2024.4.8.post3.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.post3.dist-info}/LICENSE.md +0 -0
  446. {mat3ra_esse-2024.4.8.post1.dist-info → mat3ra_esse-2024.4.8.post3.dist-info}/WHEEL +0 -0
  447. {mat3ra_esse-2024.4.8.post1.dist-info → mat3ra_esse-2024.4.8.post3.dist-info}/top_level.txt +0 -0
@@ -0,0 +1,13 @@
1
+ # generated by datamodel-codegen:
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+ # filename: methods_category/mathematical/fapprx/ipol/enum_options.json
3
+ # version: 0.25.5
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+
5
+ from __future__ import annotations
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+
7
+ from typing import Any
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+
9
+ from pydantic import RootModel
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+
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+
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+ class ESSE(RootModel[Any]):
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+ root: Any
@@ -0,0 +1,56 @@
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+ # generated by datamodel-codegen:
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+ # filename: methods_category/mathematical/fapprx/ipol/lin.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
+ lin = "lin"
26
+
27
+
28
+ class SlugifiedEntryOrSlug134(Enum):
29
+ ipol = "ipol"
30
+
31
+
32
+ class SlugifiedEntryOrSlug135(Enum):
33
+ fapprx = "fapprx"
34
+
35
+
36
+ class LinearInterpolationCategorySchema(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, SlugifiedEntryOrSlug134]] = 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, SlugifiedEntryOrSlug135]] = 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
+ """
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+ 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/fapprx/ipol/poly.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
+ poly = "poly"
26
+
27
+
28
+ class SlugifiedEntryOrSlug195(Enum):
29
+ ipol = "ipol"
30
+
31
+
32
+ class SlugifiedEntryOrSlug196(Enum):
33
+ fapprx = "fapprx"
34
+
35
+
36
+ class PolynomialInterpolationCategorySchema(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, SlugifiedEntryOrSlug195]] = 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, SlugifiedEntryOrSlug196]] = 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/fapprx/ipol/spline.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
+ spline = "spline"
26
+
27
+
28
+ class SlugifiedEntryOrSlug251(Enum):
29
+ ipol = "ipol"
30
+
31
+
32
+ class SlugifiedEntryOrSlug252(Enum):
33
+ fapprx = "fapprx"
34
+
35
+
36
+ class SplineInterpolationCategorySchema(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, SlugifiedEntryOrSlug251]] = 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, SlugifiedEntryOrSlug252]] = 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 +1,48 @@
1
+ # generated by datamodel-codegen:
2
+ # filename: methods_category/mathematical/intgr.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
+ intgr = "intgr"
26
+
27
+
28
+ class IntegrationCategorySchema(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/intgr/analytic.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
+ analytic = "analytic"
26
+
27
+
28
+ class SlugifiedEntryOrSlug4(Enum):
29
+ intgr = "intgr"
30
+
31
+
32
+ class AnalyticIntegralCategorySchema(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, SlugifiedEntryOrSlug4]] = 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/intgr/analytic/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 +1,67 @@
1
+ # generated by datamodel-codegen:
2
+ # filename: methods_category/mathematical/intgr/analytic/volume.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
+ volume = "volume"
26
+
27
+
28
+ class SlugifiedEntryOrSlug271(Enum):
29
+ sphere = "sphere"
30
+ cube = "cube"
31
+ rect_prism = "rect-prism"
32
+ tri_prism = "tri-prism"
33
+ cylinder = "cylinder"
34
+ cone = "cone"
35
+ tetrahedron = "tetrahedron"
36
+ sq_pyr = "sq-pyr"
37
+
38
+
39
+ class SlugifiedEntryOrSlug272(Enum):
40
+ analytic = "analytic"
41
+
42
+
43
+ class SlugifiedEntryOrSlug273(Enum):
44
+ intgr = "intgr"
45
+
46
+
47
+ class AnalyticVolumeIntegralCategorySchema(BaseModel):
48
+ type: Optional[Union[SlugifiedEntry, SlugifiedEntryOrSlug]] = Field(None, title="slugified entry or slug")
49
+ """
50
+ contains either object with slugified entry or slug only as a string
51
+ """
52
+ subtype: Optional[Union[SlugifiedEntry, SlugifiedEntryOrSlug271]] = Field(None, title="slugified entry or slug")
53
+ """
54
+ contains either object with slugified entry or slug only as a string
55
+ """
56
+ tier2: Optional[Union[SlugifiedEntry, SlugifiedEntryOrSlug272]] = Field(None, title="slugified entry or slug")
57
+ """
58
+ contains either object with slugified entry or slug only as a string
59
+ """
60
+ tier1: Optional[Union[SlugifiedEntry, SlugifiedEntryOrSlug273]] = Field(None, title="slugified entry or slug")
61
+ """
62
+ contains either object with slugified entry or slug only as a string
63
+ """
64
+ tier3: Optional[Union[SlugifiedEntry, str]] = Field(None, title="slugified entry or slug")
65
+ """
66
+ contains either object with slugified entry or slug only as a string
67
+ """
@@ -0,0 +1,52 @@
1
+ # generated by datamodel-codegen:
2
+ # filename: methods_category/mathematical/intgr/diffeq.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
+ diffeq = "diffeq"
26
+
27
+
28
+ class SlugifiedEntryOrSlug48(Enum):
29
+ intgr = "intgr"
30
+
31
+
32
+ class MethodsForTheNumericalIntegrationOfDifferentialEquationsSchema(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, SlugifiedEntryOrSlug48]] = 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/intgr/diffeq/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/intgr/diffeq/order1.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
+ order1 = "order1"
26
+
27
+
28
+ class SlugifiedEntryOrSlug171(Enum):
29
+ diffeq = "diffeq"
30
+
31
+
32
+ class SlugifiedEntryOrSlug172(Enum):
33
+ intgr = "intgr"
34
+
35
+
36
+ class Order1Schema(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, SlugifiedEntryOrSlug171]] = 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, SlugifiedEntryOrSlug172]] = 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/intgr/diffeq/order2.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
+ order2 = "order2"
26
+
27
+
28
+ class SlugifiedEntryOrSlug177(Enum):
29
+ diffeq = "diffeq"
30
+
31
+
32
+ class SlugifiedEntryOrSlug178(Enum):
33
+ intgr = "intgr"
34
+
35
+
36
+ class Order2Schema(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, SlugifiedEntryOrSlug177]] = 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, SlugifiedEntryOrSlug178]] = 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 +1,13 @@
1
+ # generated by datamodel-codegen:
2
+ # filename: methods_category/mathematical/intgr/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/intgr/numquad.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
+ numquad = "numquad"
26
+
27
+
28
+ class SlugifiedEntryOrSlug168(Enum):
29
+ intgr = "intgr"
30
+
31
+
32
+ class MethodsForTheNumericalQuadratureSchema(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, SlugifiedEntryOrSlug168]] = 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/intgr/numquad/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/intgr/numquad/gauss.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
+ gauss = "gauss"
26
+
27
+
28
+ class SlugifiedEntryOrSlug78(Enum):
29
+ numquad = "numquad"
30
+
31
+
32
+ class SlugifiedEntryOrSlug79(Enum):
33
+ intgr = "intgr"
34
+
35
+
36
+ class GaussianQuadratureRulesSchema(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, SlugifiedEntryOrSlug78]] = 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, SlugifiedEntryOrSlug79]] = 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
+ """