mat3ra-esse 2024.12.19.post1__py3-none-any.whl → 2025.4.3.post0__py3-none-any.whl

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  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
@@ -1,14 +1,13 @@
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- class Name(Enum):
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- atomsOverlap = "atomsOverlap"
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- class Severity(Enum):
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- info = "info"
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- class ConsistencyCheck(BaseModel):
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- key: str
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- """
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@@ -223,7 +191,6 @@ class DataIOUnitSchema(BaseModel):
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225
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229
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- class ConsistencyCheck55(BaseModel):
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- key: str
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276
- Key of the property of the entity on which the consistency check is performed in Mongo dot notation, e.g. 'basis.coordinates.1'
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- """
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- name: Name
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- """
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- Name of the consistency check that is performed, which is listed in an enum.
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- """
282
- severity: Severity
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- """
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- """
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- message: str
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- """
290
-
291
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292
240
  class ReduceUnitSchema(BaseModel):
293
241
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294
242
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@@ -340,7 +288,6 @@ class ReduceUnitSchema(BaseModel):
340
288
  entity slug
341
289
  """
342
290
  systemName: Optional[str] = None
343
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344
291
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345
292
  """
346
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  entity's schema version. Used to distinct between different schemas.
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387
334
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388
335
 
389
336
 
390
- class ConsistencyCheck56(BaseModel):
391
- key: str
392
- """
393
- Key of the property of the entity on which the consistency check is performed in Mongo dot notation, e.g. 'basis.coordinates.1'
394
- """
395
- name: Name
396
- """
397
- Name of the consistency check that is performed, which is listed in an enum.
398
- """
399
- severity: Severity
400
- """
401
- Severity level of the problem, which is used in UI to differentiate.
402
- """
403
- message: str
404
- """
405
- Message generated by the consistency check describing the problem.
406
- """
407
-
408
-
409
337
  class ConditionUnitSchema(BaseModel):
410
338
  model_config = ConfigDict(
411
339
  extra="allow",
@@ -473,7 +401,6 @@ class ConditionUnitSchema(BaseModel):
473
401
  entity slug
474
402
  """
475
403
  systemName: Optional[str] = None
476
- consistencyChecks: Optional[List[ConsistencyCheck56]] = None
477
404
  schemaVersion: Optional[str] = "2022.8.16"
478
405
  """
479
406
  entity's schema version. Used to distinct between different schemas.
@@ -509,25 +436,6 @@ class Type37(Enum):
509
436
  assertion = "assertion"
510
437
 
511
438
 
512
- class ConsistencyCheck57(BaseModel):
513
- key: str
514
- """
515
- Key of the property of the entity on which the consistency check is performed in Mongo dot notation, e.g. 'basis.coordinates.1'
516
- """
517
- name: Name
518
- """
519
- Name of the consistency check that is performed, which is listed in an enum.
520
- """
521
- severity: Severity
522
- """
523
- Severity level of the problem, which is used in UI to differentiate.
524
- """
525
- message: str
526
- """
527
- Message generated by the consistency check describing the problem.
528
- """
529
-
530
-
531
439
  class AssertionUnitSchema(BaseModel):
532
440
  model_config = ConfigDict(
533
441
  extra="allow",
@@ -579,7 +487,6 @@ class AssertionUnitSchema(BaseModel):
579
487
  entity slug
580
488
  """
581
489
  systemName: Optional[str] = None
582
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583
490
  schemaVersion: Optional[str] = "2022.8.16"
584
491
  """
585
492
  entity's schema version. Used to distinct between different schemas.
@@ -615,25 +522,6 @@ class Type38(Enum):
615
522
  execution = "execution"
616
523
 
617
524
 
618
- class ConsistencyCheck58(BaseModel):
619
- key: str
620
- """
621
- Key of the property of the entity on which the consistency check is performed in Mongo dot notation, e.g. 'basis.coordinates.1'
622
- """
623
- name: Name
624
- """
625
- Name of the consistency check that is performed, which is listed in an enum.
626
- """
627
- severity: Severity
628
- """
629
- Severity level of the problem, which is used in UI to differentiate.
630
- """
631
- message: str
632
- """
633
- Message generated by the consistency check describing the problem.
634
- """
635
-
636
-
637
525
  class ApplicationSchemaBase(BaseModel):
638
526
  model_config = ConfigDict(
639
527
  extra="allow",
@@ -671,7 +559,6 @@ class ApplicationSchemaBase(BaseModel):
671
559
  entity slug
672
560
  """
673
561
  systemName: Optional[str] = None
674
- consistencyChecks: Optional[List[ConsistencyCheck58]] = None
675
562
  schemaVersion: Optional[str] = "2022.8.16"
676
563
  """
677
564
  entity's schema version. Used to distinct between different schemas.
@@ -686,25 +573,6 @@ class ApplicationSchemaBase(BaseModel):
686
573
  """
687
574
 
688
575
 
689
- class ConsistencyCheck59(BaseModel):
690
- key: str
691
- """
692
- Key of the property of the entity on which the consistency check is performed in Mongo dot notation, e.g. 'basis.coordinates.1'
693
- """
694
- name: Name
695
- """
696
- Name of the consistency check that is performed, which is listed in an enum.
697
- """
698
- severity: Severity
699
- """
700
- Severity level of the problem, which is used in UI to differentiate.
701
- """
702
- message: str
703
- """
704
- Message generated by the consistency check describing the problem.
705
- """
706
-
707
-
708
576
  class ExecutableSchema(BaseModel):
709
577
  name: str
710
578
  """
@@ -727,7 +595,6 @@ class ExecutableSchema(BaseModel):
727
595
  entity slug
728
596
  """
729
597
  systemName: Optional[str] = None
730
- consistencyChecks: Optional[List[ConsistencyCheck59]] = None
731
598
  schemaVersion: Optional[str] = "2022.8.16"
732
599
  """
733
600
  entity's schema version. Used to distinct between different schemas.
@@ -766,25 +633,6 @@ class ExecutionUnitInputIdItemSchemaForPhysicsBasedSimulationEngines(BaseModel):
766
633
  """
767
634
 
768
635
 
769
- class ConsistencyCheck60(BaseModel):
770
- key: str
771
- """
772
- Key of the property of the entity on which the consistency check is performed in Mongo dot notation, e.g. 'basis.coordinates.1'
773
- """
774
- name: Name
775
- """
776
- Name of the consistency check that is performed, which is listed in an enum.
777
- """
778
- severity: Severity
779
- """
780
- Severity level of the problem, which is used in UI to differentiate.
781
- """
782
- message: str
783
- """
784
- Message generated by the consistency check describing the problem.
785
- """
786
-
787
-
788
636
  class FlavorSchema(BaseModel):
789
637
  executableId: Optional[str] = None
790
638
  """
@@ -810,7 +658,6 @@ class FlavorSchema(BaseModel):
810
658
  entity slug
811
659
  """
812
660
  systemName: Optional[str] = None
813
- consistencyChecks: Optional[List[ConsistencyCheck60]] = None
814
661
  schemaVersion: Optional[str] = "2022.8.16"
815
662
  """
816
663
  entity's schema version. Used to distinct between different schemas.
@@ -841,25 +688,6 @@ class FlavorSchema(BaseModel):
841
688
  """
842
689
 
843
690
 
844
- class ConsistencyCheck61(BaseModel):
845
- key: str
846
- """
847
- Key of the property of the entity on which the consistency check is performed in Mongo dot notation, e.g. 'basis.coordinates.1'
848
- """
849
- name: Name
850
- """
851
- Name of the consistency check that is performed, which is listed in an enum.
852
- """
853
- severity: Severity
854
- """
855
- Severity level of the problem, which is used in UI to differentiate.
856
- """
857
- message: str
858
- """
859
- Message generated by the consistency check describing the problem.
860
- """
861
-
862
-
863
691
  class ExecutionUnitSchemaBase(BaseModel):
864
692
  model_config = ConfigDict(
865
693
  extra="allow",
@@ -880,7 +708,7 @@ class ExecutionUnitSchemaBase(BaseModel):
880
708
  entity identity
881
709
  """
882
710
  isDraft: Optional[bool] = None
883
- name: Optional[str] = None
711
+ name: str
884
712
  """
885
713
  name of the unit. e.g. pw_scf
886
714
  """
@@ -910,7 +738,6 @@ class ExecutionUnitSchemaBase(BaseModel):
910
738
  entity slug
911
739
  """
912
740
  systemName: Optional[str] = None
913
- consistencyChecks: Optional[List[ConsistencyCheck61]] = None
914
741
  schemaVersion: Optional[str] = "2022.8.16"
915
742
  """
916
743
  entity's schema version. Used to distinct between different schemas.
@@ -946,25 +773,6 @@ class Type39(Enum):
946
773
  assignment = "assignment"
947
774
 
948
775
 
949
- class ConsistencyCheck62(BaseModel):
950
- key: str
951
- """
952
- Key of the property of the entity on which the consistency check is performed in Mongo dot notation, e.g. 'basis.coordinates.1'
953
- """
954
- name: Name
955
- """
956
- Name of the consistency check that is performed, which is listed in an enum.
957
- """
958
- severity: Severity
959
- """
960
- Severity level of the problem, which is used in UI to differentiate.
961
- """
962
- message: str
963
- """
964
- Message generated by the consistency check describing the problem.
965
- """
966
-
967
-
968
776
  class AssignmentUnitSchema(BaseModel):
969
777
  model_config = ConfigDict(
970
778
  extra="allow",
@@ -973,7 +781,7 @@ class AssignmentUnitSchema(BaseModel):
973
781
  """
974
782
  type of the unit
975
783
  """
976
- input: Optional[List[WorkflowUnitInputSchema]] = None
784
+ input: List[WorkflowUnitInputSchema]
977
785
  """
978
786
  Input information for assignment. if omitted, means that it is an initialization unit, otherwise it is an assignment.
979
787
  """
@@ -1020,7 +828,6 @@ class AssignmentUnitSchema(BaseModel):
1020
828
  entity slug
1021
829
  """
1022
830
  systemName: Optional[str] = None
1023
- consistencyChecks: Optional[List[ConsistencyCheck62]] = None
1024
831
  schemaVersion: Optional[str] = "2022.8.16"
1025
832
  """
1026
833
  entity's schema version. Used to distinct between different schemas.
@@ -1057,25 +864,6 @@ class Type40(Enum):
1057
864
  processing = "processing"
1058
865
 
1059
866
 
1060
- class ConsistencyCheck63(BaseModel):
1061
- key: str
1062
- """
1063
- Key of the property of the entity on which the consistency check is performed in Mongo dot notation, e.g. 'basis.coordinates.1'
1064
- """
1065
- name: Name
1066
- """
1067
- Name of the consistency check that is performed, which is listed in an enum.
1068
- """
1069
- severity: Severity
1070
- """
1071
- Severity level of the problem, which is used in UI to differentiate.
1072
- """
1073
- message: str
1074
- """
1075
- Message generated by the consistency check describing the problem.
1076
- """
1077
-
1078
-
1079
867
  class ProcessingUnitSchema(BaseModel):
1080
868
  model_config = ConfigDict(
1081
869
  extra="allow",
@@ -1101,7 +889,7 @@ class ProcessingUnitSchema(BaseModel):
1101
889
  entity identity
1102
890
  """
1103
891
  isDraft: Optional[bool] = None
1104
- name: Optional[str] = None
892
+ name: str
1105
893
  """
1106
894
  name of the unit. e.g. pw_scf
1107
895
  """
@@ -1131,7 +919,6 @@ class ProcessingUnitSchema(BaseModel):
1131
919
  entity slug
1132
920
  """
1133
921
  systemName: Optional[str] = None
1134
- consistencyChecks: Optional[List[ConsistencyCheck63]] = None
1135
922
  schemaVersion: Optional[str] = "2022.8.16"
1136
923
  """
1137
924
  entity's schema version. Used to distinct between different schemas.
@@ -1221,77 +1008,6 @@ class BaseModelModel(BaseModel):
1221
1008
  method: BaseMethod = Field(..., title="base method")
1222
1009
 
1223
1010
 
1224
- class ConsistencyCheck64(BaseModel):
1225
- key: str
1226
- """
1227
- Key of the property of the entity on which the consistency check is performed in Mongo dot notation, e.g. 'basis.coordinates.1'
1228
- """
1229
- name: Name
1230
- """
1231
- Name of the consistency check that is performed, which is listed in an enum.
1232
- """
1233
- severity: Severity
1234
- """
1235
- Severity level of the problem, which is used in UI to differentiate.
1236
- """
1237
- message: str
1238
- """
1239
- Message generated by the consistency check describing the problem.
1240
- """
1241
-
1242
-
1243
- class ApplicationSchemaBase11(BaseModel):
1244
- model_config = ConfigDict(
1245
- extra="allow",
1246
- )
1247
- shortName: Optional[str] = None
1248
- """
1249
- The short name of the application. e.g. qe
1250
- """
1251
- summary: Optional[str] = None
1252
- """
1253
- Application's short description.
1254
- """
1255
- version: Optional[str] = None
1256
- """
1257
- Application version. e.g. 5.3.5
1258
- """
1259
- build: Optional[str] = None
1260
- """
1261
- Application build. e.g. VTST
1262
- """
1263
- hasAdvancedComputeOptions: Optional[bool] = None
1264
- """
1265
- Whether advanced compute options are present
1266
- """
1267
- isLicensed: Optional[bool] = None
1268
- """
1269
- Whether licensing is present
1270
- """
1271
- field_id: Optional[str] = Field(None, alias="_id")
1272
- """
1273
- entity identity
1274
- """
1275
- slug: Optional[str] = None
1276
- """
1277
- entity slug
1278
- """
1279
- systemName: Optional[str] = None
1280
- consistencyChecks: Optional[List[ConsistencyCheck64]] = None
1281
- schemaVersion: Optional[str] = "2022.8.16"
1282
- """
1283
- entity's schema version. Used to distinct between different schemas.
1284
- """
1285
- name: Optional[str] = None
1286
- """
1287
- entity name
1288
- """
1289
- isDefault: Optional[bool] = False
1290
- """
1291
- Identifies that entity is defaultable
1292
- """
1293
-
1294
-
1295
1011
  class Queue(Enum):
1296
1012
  D = "D"
1297
1013
  OR = "OR"
@@ -1449,7 +1165,7 @@ class Subworkflow(BaseModel):
1449
1165
  Contains the Units of the subworkflow
1450
1166
  """
1451
1167
  model: BaseModelModel = Field(..., title="base model")
1452
- application: ApplicationSchemaBase11 = Field(..., title="application schema (base)")
1168
+ application: ApplicationSchemaBase = Field(..., title="application schema (base)")
1453
1169
  isDraft: Optional[bool] = False
1454
1170
  """
1455
1171
  Defines whether to store the results/properties extracted in this unit to properties collection
@@ -1494,7 +1210,7 @@ class DataIODatabaseInputOutputSchema7(BaseModel):
1494
1210
  """
1495
1211
  db collection name
1496
1212
  """
1497
- draft: bool
1213
+ draft: Optional[bool] = True
1498
1214
  """
1499
1215
  whether the result should be saved as draft
1500
1216
  """
@@ -1523,25 +1239,6 @@ class ObjectStorageIoSchema2(BaseModel):
1523
1239
  """
1524
1240
 
1525
1241
 
1526
- class ConsistencyCheck65(BaseModel):
1527
- key: str
1528
- """
1529
- Key of the property of the entity on which the consistency check is performed in Mongo dot notation, e.g. 'basis.coordinates.1'
1530
- """
1531
- name: Name
1532
- """
1533
- Name of the consistency check that is performed, which is listed in an enum.
1534
- """
1535
- severity: Severity
1536
- """
1537
- Severity level of the problem, which is used in UI to differentiate.
1538
- """
1539
- message: str
1540
- """
1541
- Message generated by the consistency check describing the problem.
1542
- """
1543
-
1544
-
1545
1242
  class DataIOUnitSchema2(BaseModel):
1546
1243
  model_config = ConfigDict(
1547
1244
  extra="allow",
@@ -1594,7 +1291,6 @@ class DataIOUnitSchema2(BaseModel):
1594
1291
  entity slug
1595
1292
  """
1596
1293
  systemName: Optional[str] = None
1597
- consistencyChecks: Optional[List[ConsistencyCheck65]] = None
1598
1294
  schemaVersion: Optional[str] = "2022.8.16"
1599
1295
  """
1600
1296
  entity's schema version. Used to distinct between different schemas.
@@ -1630,25 +1326,6 @@ class Type42(Enum):
1630
1326
  reduce = "reduce"
1631
1327
 
1632
1328
 
1633
- class ConsistencyCheck66(BaseModel):
1634
- key: str
1635
- """
1636
- Key of the property of the entity on which the consistency check is performed in Mongo dot notation, e.g. 'basis.coordinates.1'
1637
- """
1638
- name: Name
1639
- """
1640
- Name of the consistency check that is performed, which is listed in an enum.
1641
- """
1642
- severity: Severity
1643
- """
1644
- Severity level of the problem, which is used in UI to differentiate.
1645
- """
1646
- message: str
1647
- """
1648
- Message generated by the consistency check describing the problem.
1649
- """
1650
-
1651
-
1652
1329
  class ReduceUnitSchema1(BaseModel):
1653
1330
  model_config = ConfigDict(
1654
1331
  extra="allow",
@@ -1700,7 +1377,6 @@ class ReduceUnitSchema1(BaseModel):
1700
1377
  entity slug
1701
1378
  """
1702
1379
  systemName: Optional[str] = None
1703
- consistencyChecks: Optional[List[ConsistencyCheck66]] = None
1704
1380
  schemaVersion: Optional[str] = "2022.8.16"
1705
1381
  """
1706
1382
  entity's schema version. Used to distinct between different schemas.
@@ -1736,25 +1412,6 @@ class Type43(Enum):
1736
1412
  condition = "condition"
1737
1413
 
1738
1414
 
1739
- class ConsistencyCheck67(BaseModel):
1740
- key: str
1741
- """
1742
- Key of the property of the entity on which the consistency check is performed in Mongo dot notation, e.g. 'basis.coordinates.1'
1743
- """
1744
- name: Name
1745
- """
1746
- Name of the consistency check that is performed, which is listed in an enum.
1747
- """
1748
- severity: Severity
1749
- """
1750
- Severity level of the problem, which is used in UI to differentiate.
1751
- """
1752
- message: str
1753
- """
1754
- Message generated by the consistency check describing the problem.
1755
- """
1756
-
1757
-
1758
1415
  class ConditionUnitSchema2(BaseModel):
1759
1416
  model_config = ConfigDict(
1760
1417
  extra="allow",
@@ -1822,7 +1479,6 @@ class ConditionUnitSchema2(BaseModel):
1822
1479
  entity slug
1823
1480
  """
1824
1481
  systemName: Optional[str] = None
1825
- consistencyChecks: Optional[List[ConsistencyCheck67]] = None
1826
1482
  schemaVersion: Optional[str] = "2022.8.16"
1827
1483
  """
1828
1484
  entity's schema version. Used to distinct between different schemas.
@@ -1858,25 +1514,6 @@ class Type44(Enum):
1858
1514
  assertion = "assertion"
1859
1515
 
1860
1516
 
1861
- class ConsistencyCheck68(BaseModel):
1862
- key: str
1863
- """
1864
- Key of the property of the entity on which the consistency check is performed in Mongo dot notation, e.g. 'basis.coordinates.1'
1865
- """
1866
- name: Name
1867
- """
1868
- Name of the consistency check that is performed, which is listed in an enum.
1869
- """
1870
- severity: Severity
1871
- """
1872
- Severity level of the problem, which is used in UI to differentiate.
1873
- """
1874
- message: str
1875
- """
1876
- Message generated by the consistency check describing the problem.
1877
- """
1878
-
1879
-
1880
1517
  class AssertionUnitSchema2(BaseModel):
1881
1518
  model_config = ConfigDict(
1882
1519
  extra="allow",
@@ -1928,7 +1565,6 @@ class AssertionUnitSchema2(BaseModel):
1928
1565
  entity slug
1929
1566
  """
1930
1567
  systemName: Optional[str] = None
1931
- consistencyChecks: Optional[List[ConsistencyCheck68]] = None
1932
1568
  schemaVersion: Optional[str] = "2022.8.16"
1933
1569
  """
1934
1570
  entity's schema version. Used to distinct between different schemas.
@@ -1964,96 +1600,6 @@ class Type45(Enum):
1964
1600
  execution = "execution"
1965
1601
 
1966
1602
 
1967
- class ConsistencyCheck69(BaseModel):
1968
- key: str
1969
- """
1970
- Key of the property of the entity on which the consistency check is performed in Mongo dot notation, e.g. 'basis.coordinates.1'
1971
- """
1972
- name: Name
1973
- """
1974
- Name of the consistency check that is performed, which is listed in an enum.
1975
- """
1976
- severity: Severity
1977
- """
1978
- Severity level of the problem, which is used in UI to differentiate.
1979
- """
1980
- message: str
1981
- """
1982
- Message generated by the consistency check describing the problem.
1983
- """
1984
-
1985
-
1986
- class ApplicationSchemaBase12(BaseModel):
1987
- model_config = ConfigDict(
1988
- extra="allow",
1989
- )
1990
- shortName: Optional[str] = None
1991
- """
1992
- The short name of the application. e.g. qe
1993
- """
1994
- summary: Optional[str] = None
1995
- """
1996
- Application's short description.
1997
- """
1998
- version: Optional[str] = None
1999
- """
2000
- Application version. e.g. 5.3.5
2001
- """
2002
- build: Optional[str] = None
2003
- """
2004
- Application build. e.g. VTST
2005
- """
2006
- hasAdvancedComputeOptions: Optional[bool] = None
2007
- """
2008
- Whether advanced compute options are present
2009
- """
2010
- isLicensed: Optional[bool] = None
2011
- """
2012
- Whether licensing is present
2013
- """
2014
- field_id: Optional[str] = Field(None, alias="_id")
2015
- """
2016
- entity identity
2017
- """
2018
- slug: Optional[str] = None
2019
- """
2020
- entity slug
2021
- """
2022
- systemName: Optional[str] = None
2023
- consistencyChecks: Optional[List[ConsistencyCheck69]] = None
2024
- schemaVersion: Optional[str] = "2022.8.16"
2025
- """
2026
- entity's schema version. Used to distinct between different schemas.
2027
- """
2028
- name: Optional[str] = None
2029
- """
2030
- entity name
2031
- """
2032
- isDefault: Optional[bool] = False
2033
- """
2034
- Identifies that entity is defaultable
2035
- """
2036
-
2037
-
2038
- class ConsistencyCheck70(BaseModel):
2039
- key: str
2040
- """
2041
- Key of the property of the entity on which the consistency check is performed in Mongo dot notation, e.g. 'basis.coordinates.1'
2042
- """
2043
- name: Name
2044
- """
2045
- Name of the consistency check that is performed, which is listed in an enum.
2046
- """
2047
- severity: Severity
2048
- """
2049
- Severity level of the problem, which is used in UI to differentiate.
2050
- """
2051
- message: str
2052
- """
2053
- Message generated by the consistency check describing the problem.
2054
- """
2055
-
2056
-
2057
1603
  class ExecutableSchema11(BaseModel):
2058
1604
  name: str
2059
1605
  """
@@ -2076,7 +1622,6 @@ class ExecutableSchema11(BaseModel):
2076
1622
  entity slug
2077
1623
  """
2078
1624
  systemName: Optional[str] = None
2079
- consistencyChecks: Optional[List[ConsistencyCheck70]] = None
2080
1625
  schemaVersion: Optional[str] = "2022.8.16"
2081
1626
  """
2082
1627
  entity's schema version. Used to distinct between different schemas.
@@ -2103,25 +1648,6 @@ class ExecutableSchema11(BaseModel):
2103
1648
  """
2104
1649
 
2105
1650
 
2106
- class ConsistencyCheck71(BaseModel):
2107
- key: str
2108
- """
2109
- Key of the property of the entity on which the consistency check is performed in Mongo dot notation, e.g. 'basis.coordinates.1'
2110
- """
2111
- name: Name
2112
- """
2113
- Name of the consistency check that is performed, which is listed in an enum.
2114
- """
2115
- severity: Severity
2116
- """
2117
- Severity level of the problem, which is used in UI to differentiate.
2118
- """
2119
- message: str
2120
- """
2121
- Message generated by the consistency check describing the problem.
2122
- """
2123
-
2124
-
2125
1651
  class FlavorSchema11(BaseModel):
2126
1652
  executableId: Optional[str] = None
2127
1653
  """
@@ -2147,7 +1673,6 @@ class FlavorSchema11(BaseModel):
2147
1673
  entity slug
2148
1674
  """
2149
1675
  systemName: Optional[str] = None
2150
- consistencyChecks: Optional[List[ConsistencyCheck71]] = None
2151
1676
  schemaVersion: Optional[str] = "2022.8.16"
2152
1677
  """
2153
1678
  entity's schema version. Used to distinct between different schemas.
@@ -2178,25 +1703,6 @@ class FlavorSchema11(BaseModel):
2178
1703
  """
2179
1704
 
2180
1705
 
2181
- class ConsistencyCheck72(BaseModel):
2182
- key: str
2183
- """
2184
- Key of the property of the entity on which the consistency check is performed in Mongo dot notation, e.g. 'basis.coordinates.1'
2185
- """
2186
- name: Name
2187
- """
2188
- Name of the consistency check that is performed, which is listed in an enum.
2189
- """
2190
- severity: Severity
2191
- """
2192
- Severity level of the problem, which is used in UI to differentiate.
2193
- """
2194
- message: str
2195
- """
2196
- Message generated by the consistency check describing the problem.
2197
- """
2198
-
2199
-
2200
1706
  class ExecutionUnitSchemaBase2(BaseModel):
2201
1707
  model_config = ConfigDict(
2202
1708
  extra="allow",
@@ -2205,7 +1711,7 @@ class ExecutionUnitSchemaBase2(BaseModel):
2205
1711
  """
2206
1712
  type of the unit
2207
1713
  """
2208
- application: ApplicationSchemaBase12 = Field(..., title="application schema (base)")
1714
+ application: ApplicationSchemaBase = Field(..., title="application schema (base)")
2209
1715
  executable: Optional[ExecutableSchema11] = Field(None, title="executable schema")
2210
1716
  flavor: Optional[FlavorSchema11] = Field(None, title="flavor schema")
2211
1717
  input: Any
@@ -2217,7 +1723,7 @@ class ExecutionUnitSchemaBase2(BaseModel):
2217
1723
  entity identity
2218
1724
  """
2219
1725
  isDraft: Optional[bool] = None
2220
- name: Optional[str] = None
1726
+ name: str
2221
1727
  """
2222
1728
  name of the unit. e.g. pw_scf
2223
1729
  """
@@ -2247,7 +1753,6 @@ class ExecutionUnitSchemaBase2(BaseModel):
2247
1753
  entity slug
2248
1754
  """
2249
1755
  systemName: Optional[str] = None
2250
- consistencyChecks: Optional[List[ConsistencyCheck72]] = None
2251
1756
  schemaVersion: Optional[str] = "2022.8.16"
2252
1757
  """
2253
1758
  entity's schema version. Used to distinct between different schemas.
@@ -2283,25 +1788,6 @@ class Type46(Enum):
2283
1788
  assignment = "assignment"
2284
1789
 
2285
1790
 
2286
- class ConsistencyCheck73(BaseModel):
2287
- key: str
2288
- """
2289
- Key of the property of the entity on which the consistency check is performed in Mongo dot notation, e.g. 'basis.coordinates.1'
2290
- """
2291
- name: Name
2292
- """
2293
- Name of the consistency check that is performed, which is listed in an enum.
2294
- """
2295
- severity: Severity
2296
- """
2297
- Severity level of the problem, which is used in UI to differentiate.
2298
- """
2299
- message: str
2300
- """
2301
- Message generated by the consistency check describing the problem.
2302
- """
2303
-
2304
-
2305
1791
  class AssignmentUnitSchema2(BaseModel):
2306
1792
  model_config = ConfigDict(
2307
1793
  extra="allow",
@@ -2310,7 +1796,7 @@ class AssignmentUnitSchema2(BaseModel):
2310
1796
  """
2311
1797
  type of the unit
2312
1798
  """
2313
- input: Optional[List[WorkflowUnitInputSchema]] = None
1799
+ input: List[WorkflowUnitInputSchema]
2314
1800
  """
2315
1801
  Input information for assignment. if omitted, means that it is an initialization unit, otherwise it is an assignment.
2316
1802
  """
@@ -2357,7 +1843,6 @@ class AssignmentUnitSchema2(BaseModel):
2357
1843
  entity slug
2358
1844
  """
2359
1845
  systemName: Optional[str] = None
2360
- consistencyChecks: Optional[List[ConsistencyCheck73]] = None
2361
1846
  schemaVersion: Optional[str] = "2022.8.16"
2362
1847
  """
2363
1848
  entity's schema version. Used to distinct between different schemas.
@@ -2394,25 +1879,6 @@ class Type47(Enum):
2394
1879
  processing = "processing"
2395
1880
 
2396
1881
 
2397
- class ConsistencyCheck74(BaseModel):
2398
- key: str
2399
- """
2400
- Key of the property of the entity on which the consistency check is performed in Mongo dot notation, e.g. 'basis.coordinates.1'
2401
- """
2402
- name: Name
2403
- """
2404
- Name of the consistency check that is performed, which is listed in an enum.
2405
- """
2406
- severity: Severity
2407
- """
2408
- Severity level of the problem, which is used in UI to differentiate.
2409
- """
2410
- message: str
2411
- """
2412
- Message generated by the consistency check describing the problem.
2413
- """
2414
-
2415
-
2416
1882
  class ProcessingUnitSchema1(BaseModel):
2417
1883
  model_config = ConfigDict(
2418
1884
  extra="allow",
@@ -2438,7 +1904,7 @@ class ProcessingUnitSchema1(BaseModel):
2438
1904
  entity identity
2439
1905
  """
2440
1906
  isDraft: Optional[bool] = None
2441
- name: Optional[str] = None
1907
+ name: str
2442
1908
  """
2443
1909
  name of the unit. e.g. pw_scf
2444
1910
  """
@@ -2468,7 +1934,6 @@ class ProcessingUnitSchema1(BaseModel):
2468
1934
  entity slug
2469
1935
  """
2470
1936
  systemName: Optional[str] = None
2471
- consistencyChecks: Optional[List[ConsistencyCheck74]] = None
2472
1937
  schemaVersion: Optional[str] = "2022.8.16"
2473
1938
  """
2474
1939
  entity's schema version. Used to distinct between different schemas.
@@ -2524,25 +1989,6 @@ class Input(BaseModel):
2524
1989
  useValues: Optional[bool] = None
2525
1990
 
2526
1991
 
2527
- class ConsistencyCheck75(BaseModel):
2528
- key: str
2529
- """
2530
- Key of the property of the entity on which the consistency check is performed in Mongo dot notation, e.g. 'basis.coordinates.1'
2531
- """
2532
- name: Name
2533
- """
2534
- Name of the consistency check that is performed, which is listed in an enum.
2535
- """
2536
- severity: Severity
2537
- """
2538
- Severity level of the problem, which is used in UI to differentiate.
2539
- """
2540
- message: str
2541
- """
2542
- Message generated by the consistency check describing the problem.
2543
- """
2544
-
2545
-
2546
1992
  class MapUnitSchema(BaseModel):
2547
1993
  model_config = ConfigDict(
2548
1994
  extra="allow",
@@ -2564,7 +2010,7 @@ class MapUnitSchema(BaseModel):
2564
2010
  entity identity
2565
2011
  """
2566
2012
  isDraft: Optional[bool] = None
2567
- name: Optional[str] = None
2013
+ name: str
2568
2014
  """
2569
2015
  name of the unit. e.g. pw_scf
2570
2016
  """
@@ -2594,7 +2040,6 @@ class MapUnitSchema(BaseModel):
2594
2040
  entity slug
2595
2041
  """
2596
2042
  systemName: Optional[str] = None
2597
- consistencyChecks: Optional[List[ConsistencyCheck75]] = None
2598
2043
  schemaVersion: Optional[str] = "2022.8.16"
2599
2044
  """
2600
2045
  entity's schema version. Used to distinct between different schemas.
@@ -2630,25 +2075,6 @@ class Type49(Enum):
2630
2075
  subworkflow = "subworkflow"
2631
2076
 
2632
2077
 
2633
- class ConsistencyCheck76(BaseModel):
2634
- key: str
2635
- """
2636
- Key of the property of the entity on which the consistency check is performed in Mongo dot notation, e.g. 'basis.coordinates.1'
2637
- """
2638
- name: Name
2639
- """
2640
- Name of the consistency check that is performed, which is listed in an enum.
2641
- """
2642
- severity: Severity
2643
- """
2644
- Severity level of the problem, which is used in UI to differentiate.
2645
- """
2646
- message: str
2647
- """
2648
- Message generated by the consistency check describing the problem.
2649
- """
2650
-
2651
-
2652
2078
  class SubworkflowUnitSchema(BaseModel):
2653
2079
  model_config = ConfigDict(
2654
2080
  extra="allow",
@@ -2662,7 +2088,7 @@ class SubworkflowUnitSchema(BaseModel):
2662
2088
  entity identity
2663
2089
  """
2664
2090
  isDraft: Optional[bool] = None
2665
- name: Optional[str] = None
2091
+ name: str
2666
2092
  """
2667
2093
  name of the unit. e.g. pw_scf
2668
2094
  """
@@ -2692,7 +2118,6 @@ class SubworkflowUnitSchema(BaseModel):
2692
2118
  entity slug
2693
2119
  """
2694
2120
  systemName: Optional[str] = None
2695
- consistencyChecks: Optional[List[ConsistencyCheck76]] = None
2696
2121
  schemaVersion: Optional[str] = "2022.8.16"
2697
2122
  """
2698
2123
  entity's schema version. Used to distinct between different schemas.
@@ -2752,25 +2177,6 @@ class WorkflowUnitSchema(
2752
2177
  ] = Field(..., discriminator="type", title="workflow unit schema")
2753
2178
 
2754
2179
 
2755
- class ConsistencyCheck77(BaseModel):
2756
- key: str
2757
- """
2758
- Key of the property of the entity on which the consistency check is performed in Mongo dot notation, e.g. 'basis.coordinates.1'
2759
- """
2760
- name: Name
2761
- """
2762
- Name of the consistency check that is performed, which is listed in an enum.
2763
- """
2764
- severity: Severity
2765
- """
2766
- Severity level of the problem, which is used in UI to differentiate.
2767
- """
2768
- message: str
2769
- """
2770
- Message generated by the consistency check describing the problem.
2771
- """
2772
-
2773
-
2774
2180
  class WorkflowSchema(BaseModel):
2775
2181
  subworkflows: List[Subworkflow]
2776
2182
  """
@@ -2801,7 +2207,6 @@ class WorkflowSchema(BaseModel):
2801
2207
  entity slug
2802
2208
  """
2803
2209
  systemName: Optional[str] = None
2804
- consistencyChecks: Optional[List[ConsistencyCheck77]] = None
2805
2210
  schemaVersion: Optional[str] = "2022.8.16"
2806
2211
  """
2807
2212
  entity's schema version. Used to distinct between different schemas.
@@ -2905,7 +2310,7 @@ class ComputeArgumentsSchema4(BaseModel):
2905
2310
 
2906
2311
 
2907
2312
  class EntityReferenceSchema(BaseModel):
2908
- field_id: Optional[str] = Field(None, alias="_id")
2313
+ field_id: str = Field(..., alias="_id")
2909
2314
  """
2910
2315
  entity identity
2911
2316
  """
@@ -2929,25 +2334,6 @@ class ScopeTrackItem(BaseModel):
2929
2334
  scope: Optional[WorkflowScopeSchema] = Field(None, title="workflow scope schema")
2930
2335
 
2931
2336
 
2932
- class ConsistencyCheck78(BaseModel):
2933
- key: str
2934
- """
2935
- Key of the property of the entity on which the consistency check is performed in Mongo dot notation, e.g. 'basis.coordinates.1'
2936
- """
2937
- name: Name
2938
- """
2939
- Name of the consistency check that is performed, which is listed in an enum.
2940
- """
2941
- severity: Severity
2942
- """
2943
- Severity level of the problem, which is used in UI to differentiate.
2944
- """
2945
- message: str
2946
- """
2947
- Message generated by the consistency check describing the problem.
2948
- """
2949
-
2950
-
2951
2337
  class JobSchema(BaseModel):
2952
2338
  workflow: WorkflowSchema = Field(..., title="workflow schema")
2953
2339
  rmsId: Optional[str] = None
@@ -2990,7 +2376,6 @@ class JobSchema(BaseModel):
2990
2376
  entity slug
2991
2377
  """
2992
2378
  systemName: Optional[str] = None
2993
- consistencyChecks: Optional[List[ConsistencyCheck78]] = None
2994
2379
  schemaVersion: Optional[str] = "2022.8.16"
2995
2380
  """
2996
2381
  entity's schema version. Used to distinct between different schemas.