mat3ra-esse 2024.12.19.post1__py3-none-any.whl → 2025.4.3.post0__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 (460) hide show
  1. mat3ra/esse/data/examples.py +1 -1
  2. mat3ra/esse/data/properties.py +2 -2
  3. mat3ra/esse/data/schemas.py +1 -1
  4. mat3ra/esse/models/__init__.py +1 -1
  5. mat3ra/esse/models/core/__init__.py +1 -1
  6. mat3ra/esse/models/core/abstract/_2d_data.py +17 -0
  7. mat3ra/esse/models/core/abstract/_2d_plot.py +34 -0
  8. mat3ra/esse/models/core/abstract/_3d_grid.py +14 -0
  9. mat3ra/esse/models/core/abstract/_3d_tensor.py +19 -0
  10. mat3ra/esse/models/core/abstract/_3d_vector_basis.py +15 -0
  11. mat3ra/esse/models/core/abstract/__init__.py +1 -1
  12. mat3ra/esse/models/core/abstract/point.py +1 -1
  13. mat3ra/esse/models/core/abstract/vector.py +1 -1
  14. mat3ra/esse/models/core/primitive/_1d_data_series.py +13 -0
  15. mat3ra/esse/models/core/primitive/_3d_lattice.py +34 -0
  16. mat3ra/esse/models/core/primitive/__init__.py +1 -1
  17. mat3ra/esse/models/core/primitive/array_of_3_booleans.py +1 -1
  18. mat3ra/esse/models/core/primitive/array_of_3_numbers.py +1 -1
  19. mat3ra/esse/models/core/primitive/array_of_ids.py +1 -1
  20. mat3ra/esse/models/core/primitive/array_of_strings.py +1 -1
  21. mat3ra/esse/models/core/primitive/axis.py +1 -1
  22. mat3ra/esse/models/core/primitive/group_info.py +1 -1
  23. mat3ra/esse/models/core/primitive/integer_one_or_zero.py +1 -1
  24. mat3ra/esse/models/core/primitive/integer_positive_single_digit.py +11 -0
  25. mat3ra/esse/models/core/primitive/linked_list/__init__.py +1 -1
  26. mat3ra/esse/models/core/primitive/linked_list/base_node.py +1 -1
  27. mat3ra/esse/models/core/primitive/linked_list/named_node.py +1 -1
  28. mat3ra/esse/models/core/primitive/linked_list/named_node_in_group.py +1 -1
  29. mat3ra/esse/models/core/primitive/linked_list/node_with_type.py +1 -1
  30. mat3ra/esse/models/core/primitive/scalar.py +1 -1
  31. mat3ra/esse/models/core/primitive/slugified_entry.py +1 -1
  32. mat3ra/esse/models/core/primitive/slugified_entry_or_slug.py +1 -1
  33. mat3ra/esse/models/core/primitive/string.py +1 -1
  34. mat3ra/esse/models/core/reference/__init__.py +2 -2
  35. mat3ra/esse/models/core/reference/exabyte.py +1 -1
  36. mat3ra/esse/models/core/reference/experiment/__init__.py +1 -1
  37. mat3ra/esse/models/core/reference/experiment/condition.py +1 -1
  38. mat3ra/esse/models/core/reference/experiment/location.py +1 -1
  39. mat3ra/esse/models/core/reference/literature/__init__.py +1 -1
  40. mat3ra/esse/models/core/reference/literature/name.py +1 -1
  41. mat3ra/esse/models/core/reference/literature/pages.py +1 -1
  42. mat3ra/esse/models/core/reference/modeling/__init__.py +2 -2
  43. mat3ra/esse/models/core/reference/modeling/exabyte.py +2 -2
  44. mat3ra/esse/models/core/reusable/__init__.py +1 -1
  45. mat3ra/esse/models/core/reusable/atomic_data/__init__.py +1 -1
  46. mat3ra/esse/models/core/reusable/atomic_data/per_orbital.py +1 -1
  47. mat3ra/esse/models/core/reusable/atomic_data/per_orbital_pair.py +1 -1
  48. mat3ra/esse/models/core/reusable/atomic_data/value_number.py +1 -1
  49. mat3ra/esse/models/core/reusable/atomic_data/value_string.py +1 -1
  50. mat3ra/esse/models/core/reusable/atomic_data_per_orbital_numeric.py +1 -1
  51. mat3ra/esse/models/core/reusable/atomic_data_per_orbital_pair_numeric.py +1 -1
  52. mat3ra/esse/models/core/reusable/atomic_orbital.py +1 -1
  53. mat3ra/esse/models/core/reusable/atomic_scalars.py +1 -1
  54. mat3ra/esse/models/core/reusable/atomic_strings.py +1 -1
  55. mat3ra/esse/models/core/reusable/atomic_vectors.py +1 -1
  56. mat3ra/esse/models/core/reusable/band_gap.py +1 -1
  57. mat3ra/esse/models/core/reusable/categories.py +1 -1
  58. mat3ra/esse/models/core/reusable/category_path.py +1 -1
  59. mat3ra/esse/models/core/reusable/dielectric_tensor_component.py +1 -1
  60. mat3ra/esse/models/core/reusable/energy.py +3 -3
  61. mat3ra/esse/models/core/reusable/file_metadata.py +1 -1
  62. mat3ra/esse/models/core/reusable/frequency_function_matrix.py +1 -1
  63. mat3ra/esse/models/core/reusable/object_storage_container_data.py +1 -1
  64. mat3ra/esse/models/definitions/__init__.py +1 -1
  65. mat3ra/esse/models/definitions/constants.py +40 -0
  66. mat3ra/esse/models/definitions/units.py +4 -4
  67. mat3ra/esse/models/element.py +11 -12
  68. mat3ra/esse/models/in_memory_entity/__init__.py +1 -1
  69. mat3ra/esse/models/in_memory_entity/base.py +2 -35
  70. mat3ra/esse/models/in_memory_entity/defaultable.py +2 -35
  71. mat3ra/esse/models/in_memory_entity/has_consistency_check_has_metadata_named_defaultable.py +61 -0
  72. mat3ra/esse/models/in_memory_entity/named.py +2 -35
  73. mat3ra/esse/models/in_memory_entity/named_defaultable.py +2 -35
  74. mat3ra/esse/models/in_memory_entity/named_defaultable_has_metadata.py +2 -35
  75. mat3ra/esse/models/in_memory_entity/named_defaultable_runtime_items.py +1 -34
  76. mat3ra/esse/models/job/__init__.py +15 -630
  77. mat3ra/esse/models/job/base.py +2 -34
  78. mat3ra/esse/models/job/compute.py +1 -1
  79. mat3ra/esse/models/material/__init__.py +46 -76
  80. mat3ra/esse/models/material/consistency_check.py +40 -0
  81. mat3ra/esse/models/material/conventional.py +1 -1
  82. mat3ra/esse/models/method/__init__.py +1 -1
  83. mat3ra/esse/models/method/categorized_method.py +1 -1
  84. mat3ra/esse/models/method/method_parameters.py +1 -1
  85. mat3ra/esse/models/method/unit_method.py +1 -1
  86. mat3ra/esse/models/methods_category/mathematical/__init__.py +1 -1
  87. mat3ra/esse/models/methods_category/mathematical/diff/__init__.py +1 -1
  88. mat3ra/esse/models/methods_category/mathematical/diff/enum_options.py +1 -1
  89. mat3ra/esse/models/methods_category/mathematical/diff/fd.py +1 -1
  90. mat3ra/esse/models/methods_category/mathematical/discr/__init__.py +1 -1
  91. mat3ra/esse/models/methods_category/mathematical/discr/enum_options.py +1 -1
  92. mat3ra/esse/models/methods_category/mathematical/discr/mesh/__init__.py +1 -1
  93. mat3ra/esse/models/methods_category/mathematical/discr/mesh/enum_options.py +1 -1
  94. mat3ra/esse/models/methods_category/mathematical/discr/mesh/hybrid.py +1 -1
  95. mat3ra/esse/models/methods_category/mathematical/discr/mesh/nstruct.py +1 -1
  96. mat3ra/esse/models/methods_category/mathematical/discr/mesh/struct/__init__.py +1 -1
  97. mat3ra/esse/models/methods_category/mathematical/discr/mesh/struct/cartesian.py +1 -1
  98. mat3ra/esse/models/methods_category/mathematical/discr/mesh/struct/enum_options.py +1 -1
  99. mat3ra/esse/models/methods_category/mathematical/enum_options.py +1 -1
  100. mat3ra/esse/models/methods_category/mathematical/fapprx/__init__.py +1 -1
  101. mat3ra/esse/models/methods_category/mathematical/fapprx/basisexp.py +1 -1
  102. mat3ra/esse/models/methods_category/mathematical/fapprx/enum_options.py +1 -1
  103. mat3ra/esse/models/methods_category/mathematical/fapprx/ipol/__init__.py +1 -1
  104. mat3ra/esse/models/methods_category/mathematical/fapprx/ipol/enum_options.py +1 -1
  105. mat3ra/esse/models/methods_category/mathematical/fapprx/ipol/lin.py +1 -1
  106. mat3ra/esse/models/methods_category/mathematical/fapprx/ipol/poly.py +1 -1
  107. mat3ra/esse/models/methods_category/mathematical/fapprx/ipol/spline.py +1 -1
  108. mat3ra/esse/models/methods_category/mathematical/intgr/__init__.py +1 -1
  109. mat3ra/esse/models/methods_category/mathematical/intgr/analytic/__init__.py +1 -1
  110. mat3ra/esse/models/methods_category/mathematical/intgr/analytic/enum_options.py +1 -1
  111. mat3ra/esse/models/methods_category/mathematical/intgr/analytic/volume.py +1 -1
  112. mat3ra/esse/models/methods_category/mathematical/intgr/diffeq/__init__.py +1 -1
  113. mat3ra/esse/models/methods_category/mathematical/intgr/diffeq/enum_options.py +1 -1
  114. mat3ra/esse/models/methods_category/mathematical/intgr/diffeq/order1.py +1 -1
  115. mat3ra/esse/models/methods_category/mathematical/intgr/diffeq/order2.py +1 -1
  116. mat3ra/esse/models/methods_category/mathematical/intgr/enum_options.py +1 -1
  117. mat3ra/esse/models/methods_category/mathematical/intgr/numquad/__init__.py +1 -1
  118. mat3ra/esse/models/methods_category/mathematical/intgr/numquad/enum_options.py +1 -1
  119. mat3ra/esse/models/methods_category/mathematical/intgr/numquad/gauss.py +1 -1
  120. mat3ra/esse/models/methods_category/mathematical/intgr/numquad/newcot.py +1 -1
  121. mat3ra/esse/models/methods_category/mathematical/intgr/transf/__init__.py +1 -1
  122. mat3ra/esse/models/methods_category/mathematical/intgr/transf/enum_options.py +1 -1
  123. mat3ra/esse/models/methods_category/mathematical/intgr/transf/fourier.py +1 -1
  124. mat3ra/esse/models/methods_category/mathematical/linalg/__init__.py +1 -1
  125. mat3ra/esse/models/methods_category/mathematical/linalg/dcomp.py +1 -1
  126. mat3ra/esse/models/methods_category/mathematical/linalg/diag/__init__.py +1 -1
  127. mat3ra/esse/models/methods_category/mathematical/linalg/diag/davidson.py +1 -1
  128. mat3ra/esse/models/methods_category/mathematical/linalg/diag/enum_options.py +1 -1
  129. mat3ra/esse/models/methods_category/mathematical/linalg/enum_options.py +1 -1
  130. mat3ra/esse/models/methods_category/mathematical/linalg/lintra.py +1 -1
  131. mat3ra/esse/models/methods_category/mathematical/linalg/matf.py +1 -1
  132. mat3ra/esse/models/methods_category/mathematical/opt/__init__.py +1 -1
  133. mat3ra/esse/models/methods_category/mathematical/opt/diff/__init__.py +1 -1
  134. mat3ra/esse/models/methods_category/mathematical/opt/diff/bracket.py +1 -1
  135. mat3ra/esse/models/methods_category/mathematical/opt/diff/enum_options.py +1 -1
  136. mat3ra/esse/models/methods_category/mathematical/opt/diff/local.py +1 -1
  137. mat3ra/esse/models/methods_category/mathematical/opt/diff/order1.py +1 -1
  138. mat3ra/esse/models/methods_category/mathematical/opt/diff/order2.py +1 -1
  139. mat3ra/esse/models/methods_category/mathematical/opt/diff/ordern/__init__.py +1 -1
  140. mat3ra/esse/models/methods_category/mathematical/opt/diff/ordern/cg.py +1 -1
  141. mat3ra/esse/models/methods_category/mathematical/opt/diff/ordern/enum_options.py +1 -1
  142. mat3ra/esse/models/methods_category/mathematical/opt/enum_options.py +1 -1
  143. mat3ra/esse/models/methods_category/mathematical/opt/ndiff/__init__.py +1 -1
  144. mat3ra/esse/models/methods_category/mathematical/opt/ndiff/direct.py +1 -1
  145. mat3ra/esse/models/methods_category/mathematical/opt/ndiff/enum_options.py +1 -1
  146. mat3ra/esse/models/methods_category/mathematical/opt/ndiff/pop.py +1 -1
  147. mat3ra/esse/models/methods_category/mathematical/opt/ndiff/stoch.py +1 -1
  148. mat3ra/esse/models/methods_category/mathematical/opt/root/__init__.py +1 -1
  149. mat3ra/esse/models/methods_category/mathematical/opt/root/bracket.py +1 -1
  150. mat3ra/esse/models/methods_category/mathematical/opt/root/enum_options.py +1 -1
  151. mat3ra/esse/models/methods_category/mathematical/opt/root/iter.py +1 -1
  152. mat3ra/esse/models/methods_category/mathematical/regression.py +1 -1
  153. mat3ra/esse/models/methods_category/physical/__init__.py +1 -1
  154. mat3ra/esse/models/methods_category/physical/enum_options.py +1 -1
  155. mat3ra/esse/models/methods_category/physical/qm/__init__.py +1 -1
  156. mat3ra/esse/models/methods_category/physical/qm/enum_options.py +1 -1
  157. mat3ra/esse/models/methods_category/physical/qm/wf/__init__.py +1 -1
  158. mat3ra/esse/models/methods_category/physical/qm/wf/ao/__init__.py +1 -1
  159. mat3ra/esse/models/methods_category/physical/qm/wf/ao/dunning.py +1 -1
  160. mat3ra/esse/models/methods_category/physical/qm/wf/ao/other.py +1 -1
  161. mat3ra/esse/models/methods_category/physical/qm/wf/ao/pople.py +1 -1
  162. mat3ra/esse/models/methods_category/physical/qm/wf/enum_options.py +1 -1
  163. mat3ra/esse/models/methods_category/physical/qm/wf/psp.py +1 -1
  164. mat3ra/esse/models/methods_category/physical/qm/wf/pw.py +1 -1
  165. mat3ra/esse/models/methods_category/physical/qm/wf/smearing.py +1 -1
  166. mat3ra/esse/models/methods_category/physical/qm/wf/tetrahedron.py +1 -1
  167. mat3ra/esse/models/methods_directory/legacy/__init__.py +1 -1
  168. mat3ra/esse/models/methods_directory/legacy/localorbital.py +1 -1
  169. mat3ra/esse/models/methods_directory/legacy/pseudopotential.py +1 -1
  170. mat3ra/esse/models/methods_directory/legacy/regression.py +1 -1
  171. mat3ra/esse/models/methods_directory/legacy/unknown.py +1 -1
  172. mat3ra/esse/models/methods_directory/mathematical/__init__.py +1 -1
  173. mat3ra/esse/models/methods_directory/mathematical/cg.py +1 -1
  174. mat3ra/esse/models/methods_directory/mathematical/davidson.py +1 -1
  175. mat3ra/esse/models/methods_directory/mathematical/regression/__init__.py +1 -1
  176. mat3ra/esse/models/methods_directory/mathematical/regression/data.py +1 -1
  177. mat3ra/esse/models/methods_directory/mathematical/regression/dataset.py +1 -1
  178. mat3ra/esse/models/methods_directory/mathematical/regression/kernel_ridge/__init__.py +1 -1
  179. mat3ra/esse/models/methods_directory/mathematical/regression/kernel_ridge/data_per_property.py +1 -1
  180. mat3ra/esse/models/methods_directory/mathematical/regression/linear/__init__.py +1 -1
  181. mat3ra/esse/models/methods_directory/mathematical/regression/linear/data_per_property.py +1 -1
  182. mat3ra/esse/models/methods_directory/mathematical/regression/per_feature_item.py +1 -1
  183. mat3ra/esse/models/methods_directory/mathematical/regression/precision.py +1 -1
  184. mat3ra/esse/models/methods_directory/mathematical/regression/precision_per_property.py +1 -1
  185. mat3ra/esse/models/methods_directory/physical/__init__.py +1 -1
  186. mat3ra/esse/models/methods_directory/physical/ao/__init__.py +1 -1
  187. mat3ra/esse/models/methods_directory/physical/ao/dunning.py +1 -1
  188. mat3ra/esse/models/methods_directory/physical/ao/enum_options.py +1 -1
  189. mat3ra/esse/models/methods_directory/physical/ao/other.py +1 -1
  190. mat3ra/esse/models/methods_directory/physical/ao/pople.py +1 -1
  191. mat3ra/esse/models/methods_directory/physical/psp/__init__.py +1 -1
  192. mat3ra/esse/models/methods_directory/physical/psp/file.py +1 -1
  193. mat3ra/esse/models/methods_directory/physical/psp/file_data_item.py +1 -1
  194. mat3ra/esse/models/methods_directory/physical/pw.py +1 -1
  195. mat3ra/esse/models/methods_directory/physical/smearing.py +1 -1
  196. mat3ra/esse/models/methods_directory/physical/tetrahedron.py +1 -1
  197. mat3ra/esse/models/model/__init__.py +1 -1
  198. mat3ra/esse/models/model/categorized_model.py +1 -1
  199. mat3ra/esse/models/model/mixins/__init__.py +1 -1
  200. mat3ra/esse/models/model/mixins/dft/__init__.py +1 -3
  201. mat3ra/esse/models/model/mixins/dft/double_hybrid_functional.py +1 -1
  202. mat3ra/esse/models/model/mixins/dft/enum_options.py +1 -1
  203. mat3ra/esse/models/model/mixins/dft/gga_functional.py +1 -1
  204. mat3ra/esse/models/model/mixins/dft/hybrid_functional.py +1 -1
  205. mat3ra/esse/models/model/mixins/dft/lda_functional.py +1 -1
  206. mat3ra/esse/models/model/mixins/dft/mgga_functional.py +1 -1
  207. mat3ra/esse/models/model/mixins/dispersion_correction.py +1 -1
  208. mat3ra/esse/models/model/mixins/enum_options.py +1 -1
  209. mat3ra/esse/models/model/mixins/hubbard.py +1 -1
  210. mat3ra/esse/models/model/mixins/spin_orbit_coupling.py +1 -1
  211. mat3ra/esse/models/model/mixins/spin_polarization.py +1 -1
  212. mat3ra/esse/models/model/model_parameters.py +1 -1
  213. mat3ra/esse/models/model/model_without_method.py +1 -1
  214. mat3ra/esse/models/models_category/__init__.py +1 -1
  215. mat3ra/esse/models/models_category/enum_options.py +1 -1
  216. mat3ra/esse/models/models_category/pb/__init__.py +1 -1
  217. mat3ra/esse/models/models_category/pb/enum_options.py +1 -1
  218. mat3ra/esse/models/models_category/pb/qm/__init__.py +1 -1
  219. mat3ra/esse/models/models_category/pb/qm/abin/__init__.py +1 -1
  220. mat3ra/esse/models/models_category/pb/qm/abin/enum_options.py +1 -1
  221. mat3ra/esse/models/models_category/pb/qm/abin/gw.py +1 -1
  222. mat3ra/esse/models/models_category/pb/qm/dft/__init__.py +1 -1
  223. mat3ra/esse/models/models_category/pb/qm/dft/enum_options.py +1 -1
  224. mat3ra/esse/models/models_category/pb/qm/dft/ksdft/__init__.py +1 -1
  225. mat3ra/esse/models/models_category/pb/qm/dft/ksdft/double_hybrid.py +1 -1
  226. mat3ra/esse/models/models_category/pb/qm/dft/ksdft/enum_options.py +1 -1
  227. mat3ra/esse/models/models_category/pb/qm/dft/ksdft/gga.py +1 -1
  228. mat3ra/esse/models/models_category/pb/qm/dft/ksdft/hybrid.py +1 -1
  229. mat3ra/esse/models/models_category/pb/qm/dft/ksdft/lda.py +1 -1
  230. mat3ra/esse/models/models_category/pb/qm/dft/ksdft/mgga.py +1 -1
  231. mat3ra/esse/models/models_category/pb/qm/enum_options.py +1 -1
  232. mat3ra/esse/models/models_category/pb/qm/semp.py +1 -1
  233. mat3ra/esse/models/models_category/st/__init__.py +1 -1
  234. mat3ra/esse/models/models_category/st/det/__init__.py +1 -1
  235. mat3ra/esse/models/models_category/st/det/enum_options.py +1 -1
  236. mat3ra/esse/models/models_category/st/det/ml/__init__.py +1 -1
  237. mat3ra/esse/models/models_category/st/det/ml/enum_options.py +1 -1
  238. mat3ra/esse/models/models_category/st/det/ml/re.py +1 -1
  239. mat3ra/esse/models/models_category/st/enum_options.py +1 -1
  240. mat3ra/esse/models/models_directory/__init__.py +1 -1
  241. mat3ra/esse/models/models_directory/double_hybrid.py +1 -1
  242. mat3ra/esse/models/models_directory/gga.py +1 -1
  243. mat3ra/esse/models/models_directory/gw.py +1 -1
  244. mat3ra/esse/models/models_directory/hybrid.py +1 -1
  245. mat3ra/esse/models/models_directory/lda.py +1 -1
  246. mat3ra/esse/models/models_directory/legacy/__init__.py +1 -1
  247. mat3ra/esse/models/models_directory/legacy/dft.py +1 -1
  248. mat3ra/esse/models/models_directory/legacy/ml.py +1 -1
  249. mat3ra/esse/models/models_directory/legacy/unknown.py +1 -1
  250. mat3ra/esse/models/models_directory/mgga.py +1 -1
  251. mat3ra/esse/models/models_directory/re.py +1 -1
  252. mat3ra/esse/models/project.py +1 -34
  253. mat3ra/esse/models/properties_directory/__init__.py +1 -1
  254. mat3ra/esse/models/properties_directory/derived_properties.py +12 -13
  255. mat3ra/esse/models/properties_directory/electronic_configuration.py +1 -1
  256. mat3ra/esse/models/properties_directory/elemental/__init__.py +1 -1
  257. mat3ra/esse/models/properties_directory/elemental/atomic_radius.py +5 -6
  258. mat3ra/esse/models/properties_directory/elemental/electronegativity.py +1 -1
  259. mat3ra/esse/models/properties_directory/elemental/ionization_potential.py +1 -1
  260. mat3ra/esse/models/properties_directory/non_scalar/__init__.py +1 -1
  261. mat3ra/esse/models/properties_directory/non_scalar/average_potential_profile.py +5 -6
  262. mat3ra/esse/models/properties_directory/non_scalar/band_gaps.py +1 -1
  263. mat3ra/esse/models/properties_directory/non_scalar/band_structure.py +2 -11
  264. mat3ra/esse/models/properties_directory/non_scalar/charge_density_profile.py +3 -3
  265. mat3ra/esse/models/properties_directory/non_scalar/density_of_states.py +5 -5
  266. mat3ra/esse/models/properties_directory/non_scalar/dielectric_tensor.py +1 -1
  267. mat3ra/esse/models/properties_directory/non_scalar/file_content.py +1 -1
  268. mat3ra/esse/models/properties_directory/non_scalar/hubbard_u.py +1 -1
  269. mat3ra/esse/models/properties_directory/non_scalar/hubbard_v.py +1 -1
  270. mat3ra/esse/models/properties_directory/non_scalar/hubbard_v_nn.py +1 -1
  271. mat3ra/esse/models/properties_directory/non_scalar/phonon_dispersions.py +6 -15
  272. mat3ra/esse/models/properties_directory/non_scalar/phonon_dos.py +5 -5
  273. mat3ra/esse/models/properties_directory/non_scalar/potential_profile.py +3 -3
  274. mat3ra/esse/models/properties_directory/non_scalar/reaction_energy_profile.py +3 -3
  275. mat3ra/esse/models/properties_directory/non_scalar/stress_tensor.py +4 -4
  276. mat3ra/esse/models/properties_directory/non_scalar/total_energy_contributions.py +27 -27
  277. mat3ra/esse/models/properties_directory/non_scalar/vibrational_spectrum.py +5 -5
  278. mat3ra/esse/models/properties_directory/scalar/__init__.py +1 -1
  279. mat3ra/esse/models/properties_directory/scalar/electron_affinity.py +3 -3
  280. mat3ra/esse/models/properties_directory/scalar/fermi_energy.py +3 -3
  281. mat3ra/esse/models/properties_directory/scalar/formation_energy.py +3 -3
  282. mat3ra/esse/models/properties_directory/scalar/ionization_potential.py +3 -3
  283. mat3ra/esse/models/properties_directory/scalar/pressure.py +1 -1
  284. mat3ra/esse/models/properties_directory/scalar/reaction_energy_barrier.py +3 -3
  285. mat3ra/esse/models/properties_directory/scalar/surface_energy.py +3 -3
  286. mat3ra/esse/models/properties_directory/scalar/total_energy.py +3 -3
  287. mat3ra/esse/models/properties_directory/scalar/total_force.py +1 -1
  288. mat3ra/esse/models/properties_directory/scalar/valence_band_offset.py +3 -3
  289. mat3ra/esse/models/properties_directory/scalar/zero_point_energy.py +3 -3
  290. mat3ra/esse/models/properties_directory/structural/__init__.py +1 -1
  291. mat3ra/esse/models/properties_directory/structural/atomic_forces.py +1 -1
  292. mat3ra/esse/models/properties_directory/structural/basis/__init__.py +10 -36
  293. mat3ra/esse/models/properties_directory/structural/basis/atomic_constraints.py +1 -1
  294. mat3ra/esse/models/properties_directory/structural/basis/atomic_coordinate.py +1 -1
  295. mat3ra/esse/models/properties_directory/structural/basis/atomic_coordinates.py +5 -6
  296. mat3ra/esse/models/properties_directory/structural/basis/atomic_element.py +1 -1
  297. mat3ra/esse/models/properties_directory/structural/basis/atomic_label.py +14 -0
  298. mat3ra/esse/models/properties_directory/structural/basis/bonds.py +1 -1
  299. mat3ra/esse/models/properties_directory/structural/density.py +1 -1
  300. mat3ra/esse/models/properties_directory/structural/elemental_ratio.py +1 -1
  301. mat3ra/esse/models/properties_directory/structural/inchi.py +1 -1
  302. mat3ra/esse/models/properties_directory/structural/inchi_key.py +1 -1
  303. mat3ra/esse/models/properties_directory/structural/lattice/__init__.py +14 -17
  304. mat3ra/esse/models/properties_directory/structural/lattice/lattice_bravais.py +10 -7
  305. mat3ra/esse/models/properties_directory/structural/lattice/lattice_vectors.py +5 -6
  306. mat3ra/esse/models/properties_directory/structural/lattice/type_enum.py +2 -2
  307. mat3ra/esse/models/properties_directory/structural/lattice/type_extended_enum.py +4 -3
  308. mat3ra/esse/models/properties_directory/structural/magnetic_moments.py +1 -1
  309. mat3ra/esse/models/properties_directory/structural/molecular_pattern.py +5 -5
  310. mat3ra/esse/models/properties_directory/structural/p_norm.py +1 -1
  311. mat3ra/esse/models/properties_directory/structural/patterns/__init__.py +1 -1
  312. mat3ra/esse/models/properties_directory/structural/patterns/functional_group.py +1 -1
  313. mat3ra/esse/models/properties_directory/structural/patterns/ring.py +1 -1
  314. mat3ra/esse/models/properties_directory/structural/patterns/special_bond.py +1 -1
  315. mat3ra/esse/models/properties_directory/structural/symmetry.py +1 -1
  316. mat3ra/esse/models/properties_directory/structural/volume.py +1 -1
  317. mat3ra/esse/models/properties_directory/workflow/convergence/__init__.py +1 -1
  318. mat3ra/esse/models/properties_directory/workflow/convergence/electronic.py +1 -1
  319. mat3ra/esse/models/properties_directory/workflow/convergence/ionic.py +3 -3
  320. mat3ra/esse/models/properties_directory/workflow/convergence/kpoint.py +1 -1
  321. mat3ra/esse/models/property/__init__.py +1 -1
  322. mat3ra/esse/models/property/base/The_source_of_a_property/__init__.py +1 -3
  323. 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 +1 -1
  324. mat3ra/esse/models/property/base/__init__.py +0 -32
  325. mat3ra/esse/models/property/base.py +200 -0
  326. mat3ra/esse/models/property/meta/The_source_of_a_property/__init__.py +1 -3
  327. 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 +1 -1
  328. mat3ra/esse/models/property/meta/__init__.py +0 -32
  329. mat3ra/esse/models/property/meta.py +200 -0
  330. mat3ra/esse/models/property/raw/The_source_of_a_property/__init__.py +1 -3
  331. 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 +1 -1
  332. mat3ra/esse/models/property/raw/__init__.py +0 -32
  333. mat3ra/esse/models/property/raw.py +200 -0
  334. mat3ra/esse/models/property/source/The_source_of_a_property/__init__.py +1 -3
  335. 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 +1 -1
  336. mat3ra/esse/models/property/source.py +150 -0
  337. mat3ra/esse/models/software/__init__.py +1 -1
  338. mat3ra/esse/models/software/application.py +2 -35
  339. mat3ra/esse/models/software/executable.py +1 -34
  340. mat3ra/esse/models/software/flavor.py +1 -34
  341. mat3ra/esse/models/software/template.py +1 -34
  342. mat3ra/esse/models/software_directory/ml/__init__.py +1 -1
  343. mat3ra/esse/models/software_directory/ml/exabyteml.py +1 -1
  344. mat3ra/esse/models/software_directory/ml/unit/__init__.py +1 -1
  345. mat3ra/esse/models/software_directory/ml/unit/execution/__init__.py +4 -489
  346. mat3ra/esse/models/software_directory/ml/unit/execution/evaluate/__init__.py +1 -3
  347. mat3ra/esse/models/software_directory/ml/unit/execution/evaluate/cross_validate.py +1 -93
  348. mat3ra/esse/models/software_directory/ml/unit/execution/initialize.py +1 -93
  349. mat3ra/esse/models/software_directory/ml/unit/execution/score.py +1 -93
  350. mat3ra/esse/models/software_directory/ml/unit/execution/train.py +1 -93
  351. mat3ra/esse/models/software_directory/ml/unit/processing/__init__.py +2 -54
  352. mat3ra/esse/models/software_directory/ml/unit/processing/data_transformation/__init__.py +2 -34
  353. mat3ra/esse/models/software_directory/ml/unit/processing/data_transformation/manipulation.py +4 -36
  354. mat3ra/esse/models/software_directory/ml/unit/processing/data_transformation/scale_and_reduce.py +2 -34
  355. mat3ra/esse/models/software_directory/ml/unit/processing/feature_selection/__init__.py +1 -33
  356. mat3ra/esse/models/software_directory/ml/unit/processing/feature_selection/filter_based.py +1 -33
  357. mat3ra/esse/models/software_directory/modeling/__init__.py +1 -1
  358. mat3ra/esse/models/software_directory/modeling/deepmd.py +2 -34
  359. mat3ra/esse/models/software_directory/modeling/espresso/__init__.py +1 -1
  360. mat3ra/esse/models/software_directory/modeling/espresso/arguments.py +1 -1
  361. mat3ra/esse/models/software_directory/modeling/nwchem.py +2 -34
  362. mat3ra/esse/models/software_directory/modeling/unit/__init__.py +1 -1
  363. mat3ra/esse/models/software_directory/modeling/unit/execution.py +1 -93
  364. mat3ra/esse/models/software_directory/modeling/vasp.py +2 -34
  365. mat3ra/esse/models/software_directory/scripting/__init__.py +1 -1
  366. mat3ra/esse/models/software_directory/scripting/jupyter_lab.py +2 -34
  367. mat3ra/esse/models/software_directory/scripting/python.py +1 -33
  368. mat3ra/esse/models/software_directory/scripting/shell.py +2 -34
  369. mat3ra/esse/models/software_directory/scripting/unit/__init__.py +1 -1
  370. mat3ra/esse/models/software_directory/scripting/unit/execution.py +1 -93
  371. mat3ra/esse/models/system/__init__.py +1 -1
  372. mat3ra/esse/models/system/_material.py +2 -2
  373. mat3ra/esse/models/system/_parent_job.py +2 -2
  374. mat3ra/esse/models/system/_project.py +2 -2
  375. mat3ra/esse/models/system/bankable.py +1 -1
  376. mat3ra/esse/models/system/consistency_check.py +2 -8
  377. mat3ra/esse/models/system/creator.py +2 -2
  378. mat3ra/esse/models/system/creator_account.py +2 -2
  379. mat3ra/esse/models/system/database_source.py +1 -1
  380. mat3ra/esse/models/system/defaultable.py +1 -1
  381. mat3ra/esse/models/system/description.py +2 -2
  382. mat3ra/esse/models/system/entity_reference.py +2 -2
  383. mat3ra/esse/models/system/file_source.py +1 -1
  384. mat3ra/esse/models/system/has_consistency_check.py +39 -0
  385. mat3ra/esse/models/system/history.py +1 -1
  386. mat3ra/esse/models/system/iframe_message.py +1 -1
  387. mat3ra/esse/models/system/in_set.py +2 -2
  388. mat3ra/esse/models/system/is_multi_material.py +1 -1
  389. mat3ra/esse/models/system/is_outdated.py +1 -1
  390. mat3ra/esse/models/system/job_extended.py +2 -2
  391. mat3ra/esse/models/system/message.py +1 -1
  392. mat3ra/esse/models/system/metadata.py +1 -1
  393. mat3ra/esse/models/system/name.py +1 -1
  394. mat3ra/esse/models/system/owner.py +2 -2
  395. mat3ra/esse/models/system/path.py +1 -1
  396. mat3ra/esse/models/system/path_entity.py +1 -1
  397. mat3ra/esse/models/system/schema_version.py +1 -1
  398. mat3ra/esse/models/system/scope.py +1 -1
  399. mat3ra/esse/models/system/set.py +1 -1
  400. mat3ra/esse/models/system/sharing.py +1 -1
  401. mat3ra/esse/models/system/soft_removable.py +1 -1
  402. mat3ra/esse/models/system/status.py +1 -1
  403. mat3ra/esse/models/system/tags.py +1 -1
  404. mat3ra/esse/models/system/timestampable.py +5 -4
  405. mat3ra/esse/models/system/use_values.py +1 -1
  406. mat3ra/esse/models/third_party/db/nist_jarvis/{2024.3.13 → 2024_3.13}/__init__.py +1 -1
  407. mat3ra/esse/models/third_party/db/nist_jarvis/{2024.3.13 → 2024_3.13}/atoms.py +4 -4
  408. mat3ra/esse/models/third_party/db/nist_jarvis/{2024.3.13 → 2024_3.13}/db_entry.py +4 -4
  409. mat3ra/esse/models/third_party/file/applications/espresso/7.2/__init__.py +1 -1
  410. mat3ra/esse/models/third_party/file/applications/espresso/7.2/pw.x/__init__.py +2 -1989
  411. mat3ra/esse/models/third_party/file/applications/espresso/7.2/pw.x/atomic_positions.py +1 -1
  412. mat3ra/esse/models/third_party/file/applications/espresso/7.2/pw.x/atomic_species.py +1 -1
  413. mat3ra/esse/models/third_party/file/applications/espresso/7.2/pw.x/cell.py +1 -1
  414. mat3ra/esse/models/third_party/file/applications/espresso/7.2/pw.x/cell_parameters.py +1 -1
  415. mat3ra/esse/models/third_party/file/applications/espresso/7.2/pw.x/control.py +1 -1
  416. mat3ra/esse/models/third_party/file/applications/espresso/7.2/pw.x/electrons.py +1 -1
  417. mat3ra/esse/models/third_party/file/applications/espresso/7.2/pw.x/hubbard.py +6 -6
  418. mat3ra/esse/models/third_party/file/applications/espresso/7.2/pw.x/ions.py +1 -1
  419. mat3ra/esse/models/third_party/file/applications/espresso/7.2/pw.x/k_points.py +1 -1
  420. mat3ra/esse/models/third_party/file/applications/espresso/7.2/pw.x/system.py +1 -1
  421. mat3ra/esse/models/third_party/file/applications/espresso/7.2/pw_x.py +1990 -0
  422. mat3ra/esse/models/workflow/__init__.py +14 -609
  423. mat3ra/esse/models/workflow/base.py +1 -34
  424. mat3ra/esse/models/workflow/base_flow.py +1 -1
  425. mat3ra/esse/models/workflow/scope.py +1 -1
  426. mat3ra/esse/models/workflow/subworkflow/__init__.py +7 -291
  427. mat3ra/esse/models/workflow/subworkflow/unit.py +6 -219
  428. mat3ra/esse/models/workflow/unit/__init__.py +8 -261
  429. mat3ra/esse/models/workflow/unit/assertion.py +1 -33
  430. mat3ra/esse/models/workflow/unit/assignment.py +1 -33
  431. mat3ra/esse/models/workflow/unit/base.py +1 -33
  432. mat3ra/esse/models/workflow/unit/condition.py +1 -33
  433. mat3ra/esse/models/workflow/unit/execution.py +1 -93
  434. mat3ra/esse/models/workflow/unit/input/__init__.py +1 -1
  435. mat3ra/esse/models/workflow/unit/input/_input.py +1 -1
  436. mat3ra/esse/models/workflow/unit/input/_inputItem.py +1 -1
  437. mat3ra/esse/models/workflow/unit/input/_inputItemId.py +1 -1
  438. mat3ra/esse/models/workflow/unit/input/_inputItemScope.py +1 -1
  439. mat3ra/esse/models/workflow/unit/input/_map_input/__init__.py +1 -1
  440. mat3ra/esse/models/workflow/unit/input/_map_input/values.py +1 -1
  441. mat3ra/esse/models/workflow/unit/io/__init__.py +2 -34
  442. mat3ra/esse/models/workflow/unit/io/api.py +1 -1
  443. mat3ra/esse/models/workflow/unit/io/db.py +3 -3
  444. mat3ra/esse/models/workflow/unit/io/object_storage.py +1 -1
  445. mat3ra/esse/models/workflow/unit/map.py +1 -33
  446. mat3ra/esse/models/workflow/unit/processing.py +1 -33
  447. mat3ra/esse/models/workflow/unit/reduce.py +1 -33
  448. mat3ra/esse/models/workflow/unit/runtime/__init__.py +1 -1
  449. mat3ra/esse/models/workflow/unit/runtime/_runtime_item_full_object.py +1 -1
  450. mat3ra/esse/models/workflow/unit/runtime/_runtime_item_name_object.py +1 -1
  451. mat3ra/esse/models/workflow/unit/runtime/_runtime_item_string.py +1 -1
  452. mat3ra/esse/models/workflow/unit/runtime/runtime_item.py +1 -1
  453. mat3ra/esse/models/workflow/unit/runtime/runtime_items.py +1 -1
  454. mat3ra/esse/models/workflow/unit/subworkflow.py +1 -33
  455. {mat3ra_esse-2024.12.19.post1.dist-info → mat3ra_esse-2025.4.3.post0.dist-info}/METADATA +3 -2
  456. mat3ra_esse-2025.4.3.post0.dist-info/RECORD +471 -0
  457. {mat3ra_esse-2024.12.19.post1.dist-info → mat3ra_esse-2025.4.3.post0.dist-info}/WHEEL +1 -1
  458. mat3ra_esse-2024.12.19.post1.dist-info/RECORD +0 -453
  459. {mat3ra_esse-2024.12.19.post1.dist-info → mat3ra_esse-2025.4.3.post0.dist-info/licenses}/LICENSE.md +0 -0
  460. {mat3ra_esse-2024.12.19.post1.dist-info → mat3ra_esse-2025.4.3.post0.dist-info}/top_level.txt +0 -0
@@ -1,6 +1,6 @@
1
1
  # generated by datamodel-codegen:
2
2
  # filename: software_directory/ml/unit/execution.json
3
- # version: 0.25.5
3
+ # version: 0.28.5
4
4
 
5
5
  from __future__ import annotations
6
6
 
@@ -21,37 +21,6 @@ class Type(Enum):
21
21
  execution = "execution"
22
22
 
23
23
 
24
- class Name(Enum):
25
- default = "default"
26
- atomsTooClose = "atomsTooClose"
27
- atomsOverlap = "atomsOverlap"
28
-
29
-
30
- class Severity(Enum):
31
- info = "info"
32
- warning = "warning"
33
- error = "error"
34
-
35
-
36
- class ConsistencyCheck(BaseModel):
37
- key: str
38
- """
39
- Key of the property of the entity on which the consistency check is performed in Mongo dot notation, e.g. 'basis.coordinates.1'
40
- """
41
- name: Name
42
- """
43
- Name of the consistency check that is performed, which is listed in an enum.
44
- """
45
- severity: Severity
46
- """
47
- Severity level of the problem, which is used in UI to differentiate.
48
- """
49
- message: str
50
- """
51
- Message generated by the consistency check describing the problem.
52
- """
53
-
54
-
55
24
  class ApplicationSchemaBase(BaseModel):
56
25
  model_config = ConfigDict(
57
26
  extra="allow",
@@ -89,7 +58,6 @@ class ApplicationSchemaBase(BaseModel):
89
58
  entity slug
90
59
  """
91
60
  systemName: Optional[str] = None
92
- consistencyChecks: Optional[List[ConsistencyCheck]] = None
93
61
  schemaVersion: Optional[str] = "2022.8.16"
94
62
  """
95
63
  entity's schema version. Used to distinct between different schemas.
@@ -104,25 +72,6 @@ class ApplicationSchemaBase(BaseModel):
104
72
  """
105
73
 
106
74
 
107
- class ConsistencyCheck31(BaseModel):
108
- key: str
109
- """
110
- Key of the property of the entity on which the consistency check is performed in Mongo dot notation, e.g. 'basis.coordinates.1'
111
- """
112
- name: Name
113
- """
114
- Name of the consistency check that is performed, which is listed in an enum.
115
- """
116
- severity: Severity
117
- """
118
- Severity level of the problem, which is used in UI to differentiate.
119
- """
120
- message: str
121
- """
122
- Message generated by the consistency check describing the problem.
123
- """
124
-
125
-
126
75
  class NameResultSchema(BaseModel):
127
76
  name: str
128
77
  """
@@ -152,7 +101,6 @@ class ExecutableSchema(BaseModel):
152
101
  entity slug
153
102
  """
154
103
  systemName: Optional[str] = None
155
- consistencyChecks: Optional[List[ConsistencyCheck31]] = None
156
104
  schemaVersion: Optional[str] = "2022.8.16"
157
105
  """
158
106
  entity's schema version. Used to distinct between different schemas.
@@ -191,25 +139,6 @@ class ExecutionUnitInputIdItemSchemaForPhysicsBasedSimulationEngines(BaseModel):
191
139
  """
192
140
 
193
141
 
194
- class ConsistencyCheck32(BaseModel):
195
- key: str
196
- """
197
- Key of the property of the entity on which the consistency check is performed in Mongo dot notation, e.g. 'basis.coordinates.1'
198
- """
199
- name: Name
200
- """
201
- Name of the consistency check that is performed, which is listed in an enum.
202
- """
203
- severity: Severity
204
- """
205
- Severity level of the problem, which is used in UI to differentiate.
206
- """
207
- message: str
208
- """
209
- Message generated by the consistency check describing the problem.
210
- """
211
-
212
-
213
142
  class FlavorSchema(BaseModel):
214
143
  executableId: Optional[str] = None
215
144
  """
@@ -235,7 +164,6 @@ class FlavorSchema(BaseModel):
235
164
  entity slug
236
165
  """
237
166
  systemName: Optional[str] = None
238
- consistencyChecks: Optional[List[ConsistencyCheck32]] = None
239
167
  schemaVersion: Optional[str] = "2022.8.16"
240
168
  """
241
169
  entity's schema version. Used to distinct between different schemas.
@@ -274,25 +202,6 @@ class Status(Enum):
274
202
  finished = "finished"
275
203
 
276
204
 
277
- class ConsistencyCheck33(BaseModel):
278
- key: str
279
- """
280
- Key of the property of the entity on which the consistency check is performed in Mongo dot notation, e.g. 'basis.coordinates.1'
281
- """
282
- name: Name
283
- """
284
- Name of the consistency check that is performed, which is listed in an enum.
285
- """
286
- severity: Severity
287
- """
288
- Severity level of the problem, which is used in UI to differentiate.
289
- """
290
- message: str
291
- """
292
- Message generated by the consistency check describing the problem.
293
- """
294
-
295
-
296
205
  class StatusTrackItem(BaseModel):
297
206
  trackedAt: float
298
207
  status: str
@@ -349,7 +258,6 @@ class CrossValidationUnitSchema(BaseModel):
349
258
  entity slug
350
259
  """
351
260
  systemName: Optional[str] = None
352
- consistencyChecks: Optional[List[ConsistencyCheck33]] = None
353
261
  schemaVersion: Optional[str] = "2022.8.16"
354
262
  """
355
263
  entity's schema version. Used to distinct between different schemas.
@@ -392,96 +300,6 @@ class Input2(BaseModel):
392
300
  """
393
301
 
394
302
 
395
- class ConsistencyCheck34(BaseModel):
396
- key: str
397
- """
398
- Key of the property of the entity on which the consistency check is performed in Mongo dot notation, e.g. 'basis.coordinates.1'
399
- """
400
- name: Name
401
- """
402
- Name of the consistency check that is performed, which is listed in an enum.
403
- """
404
- severity: Severity
405
- """
406
- Severity level of the problem, which is used in UI to differentiate.
407
- """
408
- message: str
409
- """
410
- Message generated by the consistency check describing the problem.
411
- """
412
-
413
-
414
- class ApplicationSchemaBase6(BaseModel):
415
- model_config = ConfigDict(
416
- extra="allow",
417
- )
418
- shortName: Optional[str] = None
419
- """
420
- The short name of the application. e.g. qe
421
- """
422
- summary: Optional[str] = None
423
- """
424
- Application's short description.
425
- """
426
- version: Optional[str] = None
427
- """
428
- Application version. e.g. 5.3.5
429
- """
430
- build: Optional[str] = None
431
- """
432
- Application build. e.g. VTST
433
- """
434
- hasAdvancedComputeOptions: Optional[bool] = None
435
- """
436
- Whether advanced compute options are present
437
- """
438
- isLicensed: Optional[bool] = None
439
- """
440
- Whether licensing is present
441
- """
442
- field_id: Optional[str] = Field(None, alias="_id")
443
- """
444
- entity identity
445
- """
446
- slug: Optional[str] = None
447
- """
448
- entity slug
449
- """
450
- systemName: Optional[str] = None
451
- consistencyChecks: Optional[List[ConsistencyCheck34]] = None
452
- schemaVersion: Optional[str] = "2022.8.16"
453
- """
454
- entity's schema version. Used to distinct between different schemas.
455
- """
456
- name: Optional[str] = None
457
- """
458
- entity name
459
- """
460
- isDefault: Optional[bool] = False
461
- """
462
- Identifies that entity is defaultable
463
- """
464
-
465
-
466
- class ConsistencyCheck35(BaseModel):
467
- key: str
468
- """
469
- Key of the property of the entity on which the consistency check is performed in Mongo dot notation, e.g. 'basis.coordinates.1'
470
- """
471
- name: Name
472
- """
473
- Name of the consistency check that is performed, which is listed in an enum.
474
- """
475
- severity: Severity
476
- """
477
- Severity level of the problem, which is used in UI to differentiate.
478
- """
479
- message: str
480
- """
481
- Message generated by the consistency check describing the problem.
482
- """
483
-
484
-
485
303
  class ExecutableSchema6(BaseModel):
486
304
  name: str
487
305
  """
@@ -504,7 +322,6 @@ class ExecutableSchema6(BaseModel):
504
322
  entity slug
505
323
  """
506
324
  systemName: Optional[str] = None
507
- consistencyChecks: Optional[List[ConsistencyCheck35]] = None
508
325
  schemaVersion: Optional[str] = "2022.8.16"
509
326
  """
510
327
  entity's schema version. Used to distinct between different schemas.
@@ -531,25 +348,6 @@ class ExecutableSchema6(BaseModel):
531
348
  """
532
349
 
533
350
 
534
- class ConsistencyCheck36(BaseModel):
535
- key: str
536
- """
537
- Key of the property of the entity on which the consistency check is performed in Mongo dot notation, e.g. 'basis.coordinates.1'
538
- """
539
- name: Name
540
- """
541
- Name of the consistency check that is performed, which is listed in an enum.
542
- """
543
- severity: Severity
544
- """
545
- Severity level of the problem, which is used in UI to differentiate.
546
- """
547
- message: str
548
- """
549
- Message generated by the consistency check describing the problem.
550
- """
551
-
552
-
553
351
  class FlavorSchema5(BaseModel):
554
352
  executableId: Optional[str] = None
555
353
  """
@@ -575,7 +373,6 @@ class FlavorSchema5(BaseModel):
575
373
  entity slug
576
374
  """
577
375
  systemName: Optional[str] = None
578
- consistencyChecks: Optional[List[ConsistencyCheck36]] = None
579
376
  schemaVersion: Optional[str] = "2022.8.16"
580
377
  """
581
378
  entity's schema version. Used to distinct between different schemas.
@@ -606,25 +403,6 @@ class FlavorSchema5(BaseModel):
606
403
  """
607
404
 
608
405
 
609
- class ConsistencyCheck37(BaseModel):
610
- key: str
611
- """
612
- Key of the property of the entity on which the consistency check is performed in Mongo dot notation, e.g. 'basis.coordinates.1'
613
- """
614
- name: Name
615
- """
616
- Name of the consistency check that is performed, which is listed in an enum.
617
- """
618
- severity: Severity
619
- """
620
- Severity level of the problem, which is used in UI to differentiate.
621
- """
622
- message: str
623
- """
624
- Message generated by the consistency check describing the problem.
625
- """
626
-
627
-
628
406
  class TrainUnitSchema(BaseModel):
629
407
  model_config = ConfigDict(
630
408
  extra="allow",
@@ -637,7 +415,7 @@ class TrainUnitSchema(BaseModel):
637
415
  """
638
416
  type of the unit
639
417
  """
640
- application: ApplicationSchemaBase6 = Field(..., title="application schema (base)")
418
+ application: ApplicationSchemaBase = Field(..., title="application schema (base)")
641
419
  executable: Optional[ExecutableSchema6] = Field(None, title="executable schema")
642
420
  flavor: Optional[FlavorSchema5] = Field(None, title="flavor schema")
643
421
  field_id: Optional[str] = Field(None, alias="_id")
@@ -675,7 +453,6 @@ class TrainUnitSchema(BaseModel):
675
453
  entity slug
676
454
  """
677
455
  systemName: Optional[str] = None
678
- consistencyChecks: Optional[List[ConsistencyCheck37]] = None
679
456
  schemaVersion: Optional[str] = "2022.8.16"
680
457
  """
681
458
  entity's schema version. Used to distinct between different schemas.
@@ -707,96 +484,6 @@ class TrainUnitSchema(BaseModel):
707
484
  statusTrack: Optional[List[StatusTrackItem]] = None
708
485
 
709
486
 
710
- class ConsistencyCheck38(BaseModel):
711
- key: str
712
- """
713
- Key of the property of the entity on which the consistency check is performed in Mongo dot notation, e.g. 'basis.coordinates.1'
714
- """
715
- name: Name
716
- """
717
- Name of the consistency check that is performed, which is listed in an enum.
718
- """
719
- severity: Severity
720
- """
721
- Severity level of the problem, which is used in UI to differentiate.
722
- """
723
- message: str
724
- """
725
- Message generated by the consistency check describing the problem.
726
- """
727
-
728
-
729
- class ApplicationSchemaBase7(BaseModel):
730
- model_config = ConfigDict(
731
- extra="allow",
732
- )
733
- shortName: Optional[str] = None
734
- """
735
- The short name of the application. e.g. qe
736
- """
737
- summary: Optional[str] = None
738
- """
739
- Application's short description.
740
- """
741
- version: Optional[str] = None
742
- """
743
- Application version. e.g. 5.3.5
744
- """
745
- build: Optional[str] = None
746
- """
747
- Application build. e.g. VTST
748
- """
749
- hasAdvancedComputeOptions: Optional[bool] = None
750
- """
751
- Whether advanced compute options are present
752
- """
753
- isLicensed: Optional[bool] = None
754
- """
755
- Whether licensing is present
756
- """
757
- field_id: Optional[str] = Field(None, alias="_id")
758
- """
759
- entity identity
760
- """
761
- slug: Optional[str] = None
762
- """
763
- entity slug
764
- """
765
- systemName: Optional[str] = None
766
- consistencyChecks: Optional[List[ConsistencyCheck38]] = None
767
- schemaVersion: Optional[str] = "2022.8.16"
768
- """
769
- entity's schema version. Used to distinct between different schemas.
770
- """
771
- name: Optional[str] = None
772
- """
773
- entity name
774
- """
775
- isDefault: Optional[bool] = False
776
- """
777
- Identifies that entity is defaultable
778
- """
779
-
780
-
781
- class ConsistencyCheck39(BaseModel):
782
- key: str
783
- """
784
- Key of the property of the entity on which the consistency check is performed in Mongo dot notation, e.g. 'basis.coordinates.1'
785
- """
786
- name: Name
787
- """
788
- Name of the consistency check that is performed, which is listed in an enum.
789
- """
790
- severity: Severity
791
- """
792
- Severity level of the problem, which is used in UI to differentiate.
793
- """
794
- message: str
795
- """
796
- Message generated by the consistency check describing the problem.
797
- """
798
-
799
-
800
487
  class ExecutableSchema7(BaseModel):
801
488
  name: str
802
489
  """
@@ -819,7 +506,6 @@ class ExecutableSchema7(BaseModel):
819
506
  entity slug
820
507
  """
821
508
  systemName: Optional[str] = None
822
- consistencyChecks: Optional[List[ConsistencyCheck39]] = None
823
509
  schemaVersion: Optional[str] = "2022.8.16"
824
510
  """
825
511
  entity's schema version. Used to distinct between different schemas.
@@ -846,25 +532,6 @@ class ExecutableSchema7(BaseModel):
846
532
  """
847
533
 
848
534
 
849
- class ConsistencyCheck40(BaseModel):
850
- key: str
851
- """
852
- Key of the property of the entity on which the consistency check is performed in Mongo dot notation, e.g. 'basis.coordinates.1'
853
- """
854
- name: Name
855
- """
856
- Name of the consistency check that is performed, which is listed in an enum.
857
- """
858
- severity: Severity
859
- """
860
- Severity level of the problem, which is used in UI to differentiate.
861
- """
862
- message: str
863
- """
864
- Message generated by the consistency check describing the problem.
865
- """
866
-
867
-
868
535
  class FlavorSchema6(BaseModel):
869
536
  executableId: Optional[str] = None
870
537
  """
@@ -890,7 +557,6 @@ class FlavorSchema6(BaseModel):
890
557
  entity slug
891
558
  """
892
559
  systemName: Optional[str] = None
893
- consistencyChecks: Optional[List[ConsistencyCheck40]] = None
894
560
  schemaVersion: Optional[str] = "2022.8.16"
895
561
  """
896
562
  entity's schema version. Used to distinct between different schemas.
@@ -921,25 +587,6 @@ class FlavorSchema6(BaseModel):
921
587
  """
922
588
 
923
589
 
924
- class ConsistencyCheck41(BaseModel):
925
- key: str
926
- """
927
- Key of the property of the entity on which the consistency check is performed in Mongo dot notation, e.g. 'basis.coordinates.1'
928
- """
929
- name: Name
930
- """
931
- Name of the consistency check that is performed, which is listed in an enum.
932
- """
933
- severity: Severity
934
- """
935
- Severity level of the problem, which is used in UI to differentiate.
936
- """
937
- message: str
938
- """
939
- Message generated by the consistency check describing the problem.
940
- """
941
-
942
-
943
590
  class TrainScoreSchema(BaseModel):
944
591
  model_config = ConfigDict(
945
592
  extra="allow",
@@ -952,7 +599,7 @@ class TrainScoreSchema(BaseModel):
952
599
  """
953
600
  type of the unit
954
601
  """
955
- application: ApplicationSchemaBase7 = Field(..., title="application schema (base)")
602
+ application: ApplicationSchemaBase = Field(..., title="application schema (base)")
956
603
  executable: Optional[ExecutableSchema7] = Field(None, title="executable schema")
957
604
  flavor: Optional[FlavorSchema6] = Field(None, title="flavor schema")
958
605
  field_id: Optional[str] = Field(None, alias="_id")
@@ -990,7 +637,6 @@ class TrainScoreSchema(BaseModel):
990
637
  entity slug
991
638
  """
992
639
  systemName: Optional[str] = None
993
- consistencyChecks: Optional[List[ConsistencyCheck41]] = None
994
640
  schemaVersion: Optional[str] = "2022.8.16"
995
641
  """
996
642
  entity's schema version. Used to distinct between different schemas.
@@ -1029,96 +675,6 @@ class Input3(BaseModel):
1029
675
  """
1030
676
 
1031
677
 
1032
- class ConsistencyCheck42(BaseModel):
1033
- key: str
1034
- """
1035
- Key of the property of the entity on which the consistency check is performed in Mongo dot notation, e.g. 'basis.coordinates.1'
1036
- """
1037
- name: Name
1038
- """
1039
- Name of the consistency check that is performed, which is listed in an enum.
1040
- """
1041
- severity: Severity
1042
- """
1043
- Severity level of the problem, which is used in UI to differentiate.
1044
- """
1045
- message: str
1046
- """
1047
- Message generated by the consistency check describing the problem.
1048
- """
1049
-
1050
-
1051
- class ApplicationSchemaBase8(BaseModel):
1052
- model_config = ConfigDict(
1053
- extra="allow",
1054
- )
1055
- shortName: Optional[str] = None
1056
- """
1057
- The short name of the application. e.g. qe
1058
- """
1059
- summary: Optional[str] = None
1060
- """
1061
- Application's short description.
1062
- """
1063
- version: Optional[str] = None
1064
- """
1065
- Application version. e.g. 5.3.5
1066
- """
1067
- build: Optional[str] = None
1068
- """
1069
- Application build. e.g. VTST
1070
- """
1071
- hasAdvancedComputeOptions: Optional[bool] = None
1072
- """
1073
- Whether advanced compute options are present
1074
- """
1075
- isLicensed: Optional[bool] = None
1076
- """
1077
- Whether licensing is present
1078
- """
1079
- field_id: Optional[str] = Field(None, alias="_id")
1080
- """
1081
- entity identity
1082
- """
1083
- slug: Optional[str] = None
1084
- """
1085
- entity slug
1086
- """
1087
- systemName: Optional[str] = None
1088
- consistencyChecks: Optional[List[ConsistencyCheck42]] = None
1089
- schemaVersion: Optional[str] = "2022.8.16"
1090
- """
1091
- entity's schema version. Used to distinct between different schemas.
1092
- """
1093
- name: Optional[str] = None
1094
- """
1095
- entity name
1096
- """
1097
- isDefault: Optional[bool] = False
1098
- """
1099
- Identifies that entity is defaultable
1100
- """
1101
-
1102
-
1103
- class ConsistencyCheck43(BaseModel):
1104
- key: str
1105
- """
1106
- Key of the property of the entity on which the consistency check is performed in Mongo dot notation, e.g. 'basis.coordinates.1'
1107
- """
1108
- name: Name
1109
- """
1110
- Name of the consistency check that is performed, which is listed in an enum.
1111
- """
1112
- severity: Severity
1113
- """
1114
- Severity level of the problem, which is used in UI to differentiate.
1115
- """
1116
- message: str
1117
- """
1118
- Message generated by the consistency check describing the problem.
1119
- """
1120
-
1121
-
1122
678
  class ExecutableSchema8(BaseModel):
1123
679
  name: str
1124
680
  """
@@ -1141,7 +697,6 @@ class ExecutableSchema8(BaseModel):
1141
697
  entity slug
1142
698
  """
1143
699
  systemName: Optional[str] = None
1144
- consistencyChecks: Optional[List[ConsistencyCheck43]] = None
1145
700
  schemaVersion: Optional[str] = "2022.8.16"
1146
701
  """
1147
702
  entity's schema version. Used to distinct between different schemas.
@@ -1168,25 +723,6 @@ class ExecutableSchema8(BaseModel):
1168
723
  """
1169
724
 
1170
725
 
1171
- class ConsistencyCheck44(BaseModel):
1172
- key: str
1173
- """
1174
- Key of the property of the entity on which the consistency check is performed in Mongo dot notation, e.g. 'basis.coordinates.1'
1175
- """
1176
- name: Name
1177
- """
1178
- Name of the consistency check that is performed, which is listed in an enum.
1179
- """
1180
- severity: Severity
1181
- """
1182
- Severity level of the problem, which is used in UI to differentiate.
1183
- """
1184
- message: str
1185
- """
1186
- Message generated by the consistency check describing the problem.
1187
- """
1188
-
1189
-
1190
726
  class FlavorSchema7(BaseModel):
1191
727
  executableId: Optional[str] = None
1192
728
  """
@@ -1212,7 +748,6 @@ class FlavorSchema7(BaseModel):
1212
748
  entity slug
1213
749
  """
1214
750
  systemName: Optional[str] = None
1215
- consistencyChecks: Optional[List[ConsistencyCheck44]] = None
1216
751
  schemaVersion: Optional[str] = "2022.8.16"
1217
752
  """
1218
753
  entity's schema version. Used to distinct between different schemas.
@@ -1243,25 +778,6 @@ class FlavorSchema7(BaseModel):
1243
778
  """
1244
779
 
1245
780
 
1246
- class ConsistencyCheck45(BaseModel):
1247
- key: str
1248
- """
1249
- Key of the property of the entity on which the consistency check is performed in Mongo dot notation, e.g. 'basis.coordinates.1'
1250
- """
1251
- name: Name
1252
- """
1253
- Name of the consistency check that is performed, which is listed in an enum.
1254
- """
1255
- severity: Severity
1256
- """
1257
- Severity level of the problem, which is used in UI to differentiate.
1258
- """
1259
- message: str
1260
- """
1261
- Message generated by the consistency check describing the problem.
1262
- """
1263
-
1264
-
1265
781
  class InitializeUnitSchema(BaseModel):
1266
782
  model_config = ConfigDict(
1267
783
  extra="allow",
@@ -1274,7 +790,7 @@ class InitializeUnitSchema(BaseModel):
1274
790
  """
1275
791
  type of the unit
1276
792
  """
1277
- application: ApplicationSchemaBase8 = Field(..., title="application schema (base)")
793
+ application: ApplicationSchemaBase = Field(..., title="application schema (base)")
1278
794
  executable: Optional[ExecutableSchema8] = Field(None, title="executable schema")
1279
795
  flavor: Optional[FlavorSchema7] = Field(None, title="flavor schema")
1280
796
  field_id: Optional[str] = Field(None, alias="_id")
@@ -1312,7 +828,6 @@ class InitializeUnitSchema(BaseModel):
1312
828
  entity slug
1313
829
  """
1314
830
  systemName: Optional[str] = None
1315
- consistencyChecks: Optional[List[ConsistencyCheck45]] = None
1316
831
  schemaVersion: Optional[str] = "2022.8.16"
1317
832
  """
1318
833
  entity's schema version. Used to distinct between different schemas.
@@ -1,5 +1,3 @@
1
1
  # generated by datamodel-codegen:
2
2
  # filename: schema
3
- # version: 0.25.5
4
-
5
- from __future__ import annotations
3
+ # version: 0.28.5