mat3ra-esse 2025.8.14.post0__py3-none-any.whl → 2025.10.8.post0__py3-none-any.whl

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  1. mat3ra/esse/data/examples.py +1 -1
  2. mat3ra/esse/data/schemas.py +1 -1
  3. mat3ra/esse/models/core/abstract/_2d_data.py +2 -2
  4. mat3ra/esse/models/core/abstract/_2d_plot.py +2 -6
  5. mat3ra/esse/models/core/primitive/_1d_data_series.py +3 -3
  6. mat3ra/esse/models/core/primitive/axis_3d_names_enum.py +13 -0
  7. mat3ra/esse/models/core/reference/__init__.py +8 -8
  8. mat3ra/esse/models/core/reference/exabyte.py +2 -8
  9. mat3ra/esse/models/core/reference/experiment/__init__.py +2 -2
  10. mat3ra/esse/models/core/reusable/coordinate_conditions/__init__.py +1 -78
  11. mat3ra/esse/models/core/reusable/coordinate_conditions/index.py +80 -0
  12. mat3ra/esse/models/core/reusable/hubbard_parameters.py +48 -0
  13. mat3ra/esse/models/core/reusable/kpoint.py +16 -0
  14. mat3ra/esse/models/core/reusable/repetition.py +14 -0
  15. mat3ra/esse/models/definitions/material.py +13 -0
  16. mat3ra/esse/models/element.py +10 -8
  17. mat3ra/esse/models/job/__init__.py +62 -62
  18. mat3ra/esse/models/material/__init__.py +12 -12
  19. mat3ra/esse/models/materials_category/compound_pristine_structures/two_dimensional/interface/configuration.py +80 -80
  20. mat3ra/esse/models/materials_category/defective_structures/one_dimensional/grain_boundary_linear/configuration.py +80 -80
  21. mat3ra/esse/models/materials_category/defective_structures/two_dimensional/adatom/configuration.py +35 -35
  22. mat3ra/esse/models/materials_category/defective_structures/two_dimensional/grain_boundary_planar/configuration.py +80 -80
  23. mat3ra/esse/models/materials_category/defective_structures/two_dimensional/island/configuration.py +53 -53
  24. mat3ra/esse/models/materials_category/defective_structures/two_dimensional/terrace/configuration.py +53 -53
  25. mat3ra/esse/models/materials_category/defective_structures/zero_dimensional/point_defect/interstitial.py +29 -29
  26. mat3ra/esse/models/materials_category/defective_structures/zero_dimensional/point_defect/substitutional.py +32 -32
  27. mat3ra/esse/models/materials_category/defective_structures/zero_dimensional/point_defect/vacancy.py +12 -12
  28. mat3ra/esse/models/materials_category/pristine_structures/three_dimensional/ideal_crystal.py +12 -12
  29. mat3ra/esse/models/materials_category/pristine_structures/two_dimensional/nanoribbon.py +52 -52
  30. mat3ra/esse/models/materials_category/pristine_structures/two_dimensional/nanotape.py +32 -32
  31. mat3ra/esse/models/materials_category/pristine_structures/two_dimensional/slab.py +32 -32
  32. mat3ra/esse/models/materials_category/pristine_structures/two_dimensional/slab_strained_supercell.py +32 -32
  33. mat3ra/esse/models/materials_category/pristine_structures/two_dimensional/slab_strained_supercell_with_gap.py +1151 -0
  34. mat3ra/esse/models/materials_category/processed_structures/two_dimensional/passivation/configuration.py +17 -17
  35. mat3ra/esse/models/materials_category_components/entities/auxiliary/zero_dimensional/crystal_site.py +8 -8
  36. mat3ra/esse/models/materials_category_components/entities/auxiliary/zero_dimensional/point_defect_site.py +12 -12
  37. mat3ra/esse/models/materials_category_components/entities/auxiliary/zero_dimensional/void_region.py +12 -12
  38. mat3ra/esse/models/materials_category_components/entities/core/three_dimensional/crystal.py +8 -8
  39. mat3ra/esse/models/materials_category_components/entities/core/two_dimensional/vacuum.py +12 -12
  40. mat3ra/esse/models/materials_category_components/entities/reusable/one_dimensional/crystal_lattice_lines.py +8 -8
  41. mat3ra/esse/models/materials_category_components/entities/reusable/one_dimensional/crystal_lattice_lines_unique_repeated.py +8 -8
  42. mat3ra/esse/models/materials_category_components/entities/reusable/three_dimensional/crystal_lattice_base.py +8 -8
  43. mat3ra/esse/models/materials_category_components/entities/reusable/three_dimensional/strained_non_uniform.py +12 -12
  44. mat3ra/esse/models/materials_category_components/entities/reusable/three_dimensional/strained_uniform.py +12 -12
  45. mat3ra/esse/models/materials_category_components/entities/reusable/three_dimensional/supercell.py +12 -12
  46. mat3ra/esse/models/materials_category_components/entities/reusable/two_dimensional/crystal_lattice_planes.py +8 -8
  47. mat3ra/esse/models/materials_category_components/entities/reusable/two_dimensional/slab_stack_configuration.py +52 -52
  48. mat3ra/esse/models/materials_category_components/operations/core/modifications/perturb.py +12 -12
  49. mat3ra/esse/models/methods_directory/physical/psp/__init__.py +2 -2
  50. mat3ra/esse/models/methods_directory/physical/psp/file.py +2 -2
  51. mat3ra/esse/models/methods_directory/physical/psp/file_data_item.py +2 -2
  52. mat3ra/esse/models/properties_directory/derived_properties.py +6 -6
  53. mat3ra/esse/models/properties_directory/elemental/atomic_radius.py +1 -1
  54. mat3ra/esse/models/properties_directory/elemental/electronegativity.py +1 -2
  55. mat3ra/esse/models/properties_directory/elemental/ionization_potential.py +3 -4
  56. mat3ra/esse/models/properties_directory/jupyter_notebook_endpoint.py +20 -0
  57. mat3ra/esse/models/properties_directory/non_scalar/average_potential_profile.py +4 -8
  58. mat3ra/esse/models/properties_directory/non_scalar/band_gaps.py +2 -2
  59. mat3ra/esse/models/properties_directory/non_scalar/band_structure.py +5 -9
  60. mat3ra/esse/models/properties_directory/non_scalar/charge_density_profile.py +4 -8
  61. mat3ra/esse/models/properties_directory/non_scalar/density_of_states.py +5 -8
  62. mat3ra/esse/models/properties_directory/non_scalar/dielectric_tensor.py +2 -2
  63. mat3ra/esse/models/properties_directory/non_scalar/file_content.py +2 -2
  64. mat3ra/esse/models/properties_directory/non_scalar/final_structure.py +22 -0
  65. mat3ra/esse/models/properties_directory/non_scalar/hubbard_u.py +4 -4
  66. mat3ra/esse/models/properties_directory/non_scalar/hubbard_v.py +3 -4
  67. mat3ra/esse/models/properties_directory/non_scalar/hubbard_v_nn.py +3 -4
  68. mat3ra/esse/models/properties_directory/non_scalar/is_relaxed.py +22 -0
  69. mat3ra/esse/models/properties_directory/non_scalar/phonon_dispersions.py +10 -14
  70. mat3ra/esse/models/properties_directory/non_scalar/phonon_dos.py +10 -14
  71. mat3ra/esse/models/properties_directory/non_scalar/potential_profile.py +8 -12
  72. mat3ra/esse/models/properties_directory/non_scalar/reaction_energy_profile.py +8 -12
  73. mat3ra/esse/models/properties_directory/non_scalar/stress_tensor.py +5 -7
  74. mat3ra/esse/models/properties_directory/non_scalar/total_energy_contributions.py +64 -51
  75. mat3ra/esse/models/properties_directory/non_scalar/vibrational_spectrum.py +10 -14
  76. mat3ra/esse/models/properties_directory/non_scalar/workflow.py +2234 -0
  77. mat3ra/esse/models/properties_directory/reusable/hubbard_parameters.py +48 -0
  78. mat3ra/esse/models/properties_directory/scalar/electron_affinity.py +1 -1
  79. mat3ra/esse/models/properties_directory/scalar/fermi_energy.py +1 -1
  80. mat3ra/esse/models/properties_directory/scalar/formation_energy.py +1 -1
  81. mat3ra/esse/models/properties_directory/scalar/ionization_potential.py +3 -3
  82. mat3ra/esse/models/properties_directory/scalar/pressure.py +3 -4
  83. mat3ra/esse/models/properties_directory/scalar/reaction_energy_barrier.py +3 -3
  84. mat3ra/esse/models/properties_directory/scalar/surface_energy.py +3 -3
  85. mat3ra/esse/models/properties_directory/scalar/total_energy.py +3 -3
  86. mat3ra/esse/models/properties_directory/scalar/total_force.py +3 -4
  87. mat3ra/esse/models/properties_directory/scalar/valence_band_offset.py +3 -3
  88. mat3ra/esse/models/properties_directory/scalar/zero_point_energy.py +3 -3
  89. mat3ra/esse/models/properties_directory/structural/atomic_forces.py +5 -5
  90. mat3ra/esse/models/properties_directory/structural/basis/atomic_constraints_property.py +3 -3
  91. mat3ra/esse/models/properties_directory/structural/basis/boundary_conditions.py +30 -0
  92. mat3ra/esse/models/properties_directory/structural/basis/predicted_properties.py +82 -0
  93. mat3ra/esse/models/properties_directory/structural/lattice/units/__init__.py +23 -1
  94. mat3ra/esse/models/properties_directory/structural/magnetic_moments.py +5 -5
  95. mat3ra/esse/models/properties_directory/structural/molecular_pattern.py +5 -5
  96. mat3ra/esse/models/properties_directory/structural/patterns/functional_group.py +1 -1
  97. mat3ra/esse/models/properties_directory/structural/patterns/ring.py +1 -1
  98. mat3ra/esse/models/properties_directory/structural/patterns/special_bond.py +1 -1
  99. mat3ra/esse/models/properties_directory/workflow/convergence/electronic.py +4 -4
  100. mat3ra/esse/models/properties_directory/workflow/convergence/ionic.py +6 -6
  101. mat3ra/esse/models/property/base.py +1492 -14
  102. mat3ra/esse/models/property/holder.py +3568 -0
  103. mat3ra/esse/models/property/meta_holder/Reusable_schema_for_energy_value_with_unit_corresponding_to_a_specific_accuracy_level__e/g.py +31 -0
  104. mat3ra/esse/models/property/meta_holder.py +140 -0
  105. mat3ra/esse/models/property/proto_holder.py +86 -0
  106. mat3ra/esse/models/property/raw.py +27 -11
  107. mat3ra/esse/models/property/source.py +24 -1
  108. mat3ra/esse/models/workflow/__init__.py +54 -54
  109. mat3ra/esse/models/workflow/base_flow.py +4 -4
  110. mat3ra/esse/models/workflow/subworkflow/__init__.py +7 -7
  111. mat3ra/esse/models/workflow/subworkflow/unit.py +10 -10
  112. mat3ra/esse/models/workflow/unit/__init__.py +12 -12
  113. mat3ra/esse/models/workflow/unit/io/__init__.py +4 -4
  114. mat3ra/esse/models/workflow/unit/io/db.py +2 -2
  115. mat3ra/esse/models/workflow/unit/io/object_storage.py +1 -1
  116. {mat3ra_esse-2025.8.14.post0.dist-info → mat3ra_esse-2025.10.8.post0.dist-info}/METADATA +1 -1
  117. {mat3ra_esse-2025.8.14.post0.dist-info → mat3ra_esse-2025.10.8.post0.dist-info}/RECORD +122 -118
  118. mat3ra/esse/models/property/meta.py +0 -200
  119. mat3ra/esse/models/software_directory/ml/exabyteml.py +0 -28
  120. mat3ra/esse/models/software_directory/ml/unit/execution/__init__.py +0 -879
  121. mat3ra/esse/models/software_directory/ml/unit/execution/evaluate/__init__.py +0 -3
  122. mat3ra/esse/models/software_directory/ml/unit/execution/evaluate/cross_validate.py +0 -293
  123. mat3ra/esse/models/software_directory/ml/unit/execution/initialize.py +0 -293
  124. mat3ra/esse/models/software_directory/ml/unit/execution/score.py +0 -286
  125. mat3ra/esse/models/software_directory/ml/unit/execution/train.py +0 -297
  126. mat3ra/esse/models/software_directory/ml/unit/processing/__init__.py +0 -276
  127. mat3ra/esse/models/software_directory/ml/unit/processing/data_transformation/__init__.py +0 -167
  128. mat3ra/esse/models/software_directory/ml/unit/processing/data_transformation/manipulation.py +0 -144
  129. mat3ra/esse/models/software_directory/ml/unit/processing/data_transformation/scale_and_reduce.py +0 -163
  130. mat3ra/esse/models/software_directory/ml/unit/processing/feature_selection/__init__.py +0 -148
  131. mat3ra/esse/models/software_directory/ml/unit/processing/feature_selection/filter_based.py +0 -144
  132. /mat3ra/esse/models/{software_directory/ml → properties_directory/reusable}/__init__.py +0 -0
  133. /mat3ra/esse/models/{software_directory/ml/unit → property/meta_holder/Reusable_schema_for_energy_value_with_unit_corresponding_to_a_specific_accuracy_level__e}/__init__.py +0 -0
  134. {mat3ra_esse-2025.8.14.post0.dist-info → mat3ra_esse-2025.10.8.post0.dist-info}/WHEEL +0 -0
  135. {mat3ra_esse-2025.8.14.post0.dist-info → mat3ra_esse-2025.10.8.post0.dist-info}/licenses/LICENSE.md +0 -0
  136. {mat3ra_esse-2025.8.14.post0.dist-info → mat3ra_esse-2025.10.8.post0.dist-info}/top_level.txt +0 -0
@@ -425,7 +425,7 @@ class VolumeSchema(BaseModel):
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  value: float
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- class Name40(Enum):
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+ class Name41(Enum):
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  density = "density"
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@@ -448,7 +448,7 @@ class ScalarSchema(BaseModel):
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  value: float
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- class Name41(Enum):
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  symmetry = "symmetry"
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@@ -468,7 +468,7 @@ class SymmetrySchema(BaseModel):
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  name: Literal["2#-datamodel-code-generator-#-object-#-special-#"]
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- class Name42(Enum):
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  elemental_ratio = "elemental_ratio"
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  """
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  p_norm = "p-norm"
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  value: float
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  inchi = "inchi"
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  value: str
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  inchi_key = "inchi_key"
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  """
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  default = "default"
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  atomsTooClose = "atomsTooClose"
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  atomsOverlap = "atomsOverlap"
@@ -595,7 +595,7 @@ class Severity(Enum):
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  class MaterialConsistencyCheckSchema(BaseModel):
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  """
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  name: Literal["2#-datamodel-code-generator-#-object-#-special-#"]
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  elemental_ratio = "elemental_ratio"
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  atomsTooClose = "atomsTooClose"
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1873
 
@@ -1880,7 +1880,7 @@ class PNorm7(BaseModel):
1880
1880
  value: float
1881
1881
 
1882
1882
 
1883
- class Name68(Enum):
1883
+ class Name69(Enum):
1884
1884
  inchi = "inchi"
1885
1885
 
1886
1886
 
@@ -1889,7 +1889,7 @@ class InChIRepresentationSchema7(BaseModel):
1889
1889
  value: str
1890
1890
 
1891
1891
 
1892
- class Name69(Enum):
1892
+ class Name70(Enum):
1893
1893
  inchi_key = "inchi_key"
1894
1894
 
1895
1895
 
@@ -1922,14 +1922,14 @@ class DerivedPropertiesSchema7(
1922
1922
  ] = Field(..., discriminator="name")
1923
1923
 
1924
1924
 
1925
- class Name70(Enum):
1925
+ class Name71(Enum):
1926
1926
  default = "default"
1927
1927
  atomsTooClose = "atomsTooClose"
1928
1928
  atomsOverlap = "atomsOverlap"
1929
1929
 
1930
1930
 
1931
1931
  class MaterialConsistencyCheckSchema7(BaseModel):
1932
- name: Name70
1932
+ name: Name71
1933
1933
  """
1934
1934
  Name of the consistency check that is performed, which is listed in an enum.
1935
1935
  """
@@ -2260,7 +2260,7 @@ class LatticeSchema8(BaseModel):
2260
2260
  )
2261
2261
 
2262
2262
 
2263
- class Name71(Enum):
2263
+ class Name72(Enum):
2264
2264
  volume = "volume"
2265
2265
 
2266
2266
 
@@ -2274,7 +2274,7 @@ class VolumeSchema8(BaseModel):
2274
2274
  value: float
2275
2275
 
2276
2276
 
2277
- class Name72(Enum):
2277
+ class Name73(Enum):
2278
2278
  density = "density"
2279
2279
 
2280
2280
 
@@ -2297,7 +2297,7 @@ class ScalarSchema9(BaseModel):
2297
2297
  value: float
2298
2298
 
2299
2299
 
2300
- class Name73(Enum):
2300
+ class Name74(Enum):
2301
2301
  symmetry = "symmetry"
2302
2302
 
2303
2303
 
@@ -2317,7 +2317,7 @@ class SymmetrySchema8(BaseModel):
2317
2317
  name: Literal["2#-datamodel-code-generator-#-object-#-special-#"]
2318
2318
 
2319
2319
 
2320
- class Name74(Enum):
2320
+ class Name75(Enum):
2321
2321
  elemental_ratio = "elemental_ratio"
2322
2322
 
2323
2323
 
@@ -2330,7 +2330,7 @@ class ElementalRatio8(BaseModel):
2330
2330
  """
2331
2331
 
2332
2332
 
2333
- class Name75(Enum):
2333
+ class Name76(Enum):
2334
2334
  p_norm = "p-norm"
2335
2335
 
2336
2336
 
@@ -2343,7 +2343,7 @@ class PNorm8(BaseModel):
2343
2343
  value: float
2344
2344
 
2345
2345
 
2346
- class Name76(Enum):
2346
+ class Name77(Enum):
2347
2347
  inchi = "inchi"
2348
2348
 
2349
2349
 
@@ -2352,7 +2352,7 @@ class InChIRepresentationSchema8(BaseModel):
2352
2352
  value: str
2353
2353
 
2354
2354
 
2355
- class Name77(Enum):
2355
+ class Name78(Enum):
2356
2356
  inchi_key = "inchi_key"
2357
2357
 
2358
2358
 
@@ -2385,14 +2385,14 @@ class DerivedPropertiesSchema8(
2385
2385
  ] = Field(..., discriminator="name")
2386
2386
 
2387
2387
 
2388
- class Name78(Enum):
2388
+ class Name79(Enum):
2389
2389
  default = "default"
2390
2390
  atomsTooClose = "atomsTooClose"
2391
2391
  atomsOverlap = "atomsOverlap"
2392
2392
 
2393
2393
 
2394
2394
  class MaterialConsistencyCheckSchema8(BaseModel):
2395
- name: Name78
2395
+ name: Name79
2396
2396
  """
2397
2397
  Name of the consistency check that is performed, which is listed in an enum.
2398
2398
  """
@@ -2692,7 +2692,7 @@ class LatticeSchema9(BaseModel):
2692
2692
  )
2693
2693
 
2694
2694
 
2695
- class Name79(Enum):
2695
+ class Name80(Enum):
2696
2696
  volume = "volume"
2697
2697
 
2698
2698
 
@@ -2706,7 +2706,7 @@ class VolumeSchema9(BaseModel):
2706
2706
  value: float
2707
2707
 
2708
2708
 
2709
- class Name80(Enum):
2709
+ class Name81(Enum):
2710
2710
  density = "density"
2711
2711
 
2712
2712
 
@@ -2729,7 +2729,7 @@ class ScalarSchema10(BaseModel):
2729
2729
  value: float
2730
2730
 
2731
2731
 
2732
- class Name81(Enum):
2732
+ class Name82(Enum):
2733
2733
  symmetry = "symmetry"
2734
2734
 
2735
2735
 
@@ -2749,7 +2749,7 @@ class SymmetrySchema9(BaseModel):
2749
2749
  name: Literal["2#-datamodel-code-generator-#-object-#-special-#"]
2750
2750
 
2751
2751
 
2752
- class Name82(Enum):
2752
+ class Name83(Enum):
2753
2753
  elemental_ratio = "elemental_ratio"
2754
2754
 
2755
2755
 
@@ -2762,7 +2762,7 @@ class ElementalRatio9(BaseModel):
2762
2762
  """
2763
2763
 
2764
2764
 
2765
- class Name83(Enum):
2765
+ class Name84(Enum):
2766
2766
  p_norm = "p-norm"
2767
2767
 
2768
2768
 
@@ -2775,7 +2775,7 @@ class PNorm9(BaseModel):
2775
2775
  value: float
2776
2776
 
2777
2777
 
2778
- class Name84(Enum):
2778
+ class Name85(Enum):
2779
2779
  inchi = "inchi"
2780
2780
 
2781
2781
 
@@ -2784,7 +2784,7 @@ class InChIRepresentationSchema9(BaseModel):
2784
2784
  value: str
2785
2785
 
2786
2786
 
2787
- class Name85(Enum):
2787
+ class Name86(Enum):
2788
2788
  inchi_key = "inchi_key"
2789
2789
 
2790
2790
 
@@ -2817,14 +2817,14 @@ class DerivedPropertiesSchema9(
2817
2817
  ] = Field(..., discriminator="name")
2818
2818
 
2819
2819
 
2820
- class Name86(Enum):
2820
+ class Name87(Enum):
2821
2821
  default = "default"
2822
2822
  atomsTooClose = "atomsTooClose"
2823
2823
  atomsOverlap = "atomsOverlap"
2824
2824
 
2825
2825
 
2826
2826
  class MaterialConsistencyCheckSchema9(BaseModel):
2827
- name: Name86
2827
+ name: Name87
2828
2828
  """
2829
2829
  Name of the consistency check that is performed, which is listed in an enum.
2830
2830
  """
@@ -3143,7 +3143,7 @@ class LatticeSchema10(BaseModel):
3143
3143
  )
3144
3144
 
3145
3145
 
3146
- class Name87(Enum):
3146
+ class Name88(Enum):
3147
3147
  volume = "volume"
3148
3148
 
3149
3149
 
@@ -3157,7 +3157,7 @@ class VolumeSchema10(BaseModel):
3157
3157
  value: float
3158
3158
 
3159
3159
 
3160
- class Name88(Enum):
3160
+ class Name89(Enum):
3161
3161
  density = "density"
3162
3162
 
3163
3163
 
@@ -3180,7 +3180,7 @@ class ScalarSchema11(BaseModel):
3180
3180
  value: float
3181
3181
 
3182
3182
 
3183
- class Name89(Enum):
3183
+ class Name90(Enum):
3184
3184
  symmetry = "symmetry"
3185
3185
 
3186
3186
 
@@ -3200,7 +3200,7 @@ class SymmetrySchema10(BaseModel):
3200
3200
  name: Literal["2#-datamodel-code-generator-#-object-#-special-#"]
3201
3201
 
3202
3202
 
3203
- class Name90(Enum):
3203
+ class Name91(Enum):
3204
3204
  elemental_ratio = "elemental_ratio"
3205
3205
 
3206
3206
 
@@ -3213,7 +3213,7 @@ class ElementalRatio10(BaseModel):
3213
3213
  """
3214
3214
 
3215
3215
 
3216
- class Name91(Enum):
3216
+ class Name92(Enum):
3217
3217
  p_norm = "p-norm"
3218
3218
 
3219
3219
 
@@ -3226,7 +3226,7 @@ class PNorm10(BaseModel):
3226
3226
  value: float
3227
3227
 
3228
3228
 
3229
- class Name92(Enum):
3229
+ class Name93(Enum):
3230
3230
  inchi = "inchi"
3231
3231
 
3232
3232
 
@@ -3235,7 +3235,7 @@ class InChIRepresentationSchema10(BaseModel):
3235
3235
  value: str
3236
3236
 
3237
3237
 
3238
- class Name93(Enum):
3238
+ class Name94(Enum):
3239
3239
  inchi_key = "inchi_key"
3240
3240
 
3241
3241
 
@@ -3268,14 +3268,14 @@ class DerivedPropertiesSchema10(
3268
3268
  ] = Field(..., discriminator="name")
3269
3269
 
3270
3270
 
3271
- class Name94(Enum):
3271
+ class Name95(Enum):
3272
3272
  default = "default"
3273
3273
  atomsTooClose = "atomsTooClose"
3274
3274
  atomsOverlap = "atomsOverlap"
3275
3275
 
3276
3276
 
3277
3277
  class MaterialConsistencyCheckSchema10(BaseModel):
3278
- name: Name94
3278
+ name: Name95
3279
3279
  """
3280
3280
  Name of the consistency check that is performed, which is listed in an enum.
3281
3281
  """
@@ -3575,7 +3575,7 @@ class LatticeSchema11(BaseModel):
3575
3575
  )
3576
3576
 
3577
3577
 
3578
- class Name95(Enum):
3578
+ class Name96(Enum):
3579
3579
  volume = "volume"
3580
3580
 
3581
3581
 
@@ -3589,7 +3589,7 @@ class VolumeSchema11(BaseModel):
3589
3589
  value: float
3590
3590
 
3591
3591
 
3592
- class Name96(Enum):
3592
+ class Name97(Enum):
3593
3593
  density = "density"
3594
3594
 
3595
3595
 
@@ -3612,7 +3612,7 @@ class ScalarSchema12(BaseModel):
3612
3612
  value: float
3613
3613
 
3614
3614
 
3615
- class Name97(Enum):
3615
+ class Name98(Enum):
3616
3616
  symmetry = "symmetry"
3617
3617
 
3618
3618
 
@@ -3632,7 +3632,7 @@ class SymmetrySchema11(BaseModel):
3632
3632
  name: Literal["2#-datamodel-code-generator-#-object-#-special-#"]
3633
3633
 
3634
3634
 
3635
- class Name98(Enum):
3635
+ class Name99(Enum):
3636
3636
  elemental_ratio = "elemental_ratio"
3637
3637
 
3638
3638
 
@@ -3645,7 +3645,7 @@ class ElementalRatio11(BaseModel):
3645
3645
  """
3646
3646
 
3647
3647
 
3648
- class Name99(Enum):
3648
+ class Name100(Enum):
3649
3649
  p_norm = "p-norm"
3650
3650
 
3651
3651
 
@@ -3658,7 +3658,7 @@ class PNorm11(BaseModel):
3658
3658
  value: float
3659
3659
 
3660
3660
 
3661
- class Name100(Enum):
3661
+ class Name101(Enum):
3662
3662
  inchi = "inchi"
3663
3663
 
3664
3664
 
@@ -3667,7 +3667,7 @@ class InChIRepresentationSchema11(BaseModel):
3667
3667
  value: str
3668
3668
 
3669
3669
 
3670
- class Name101(Enum):
3670
+ class Name102(Enum):
3671
3671
  inchi_key = "inchi_key"
3672
3672
 
3673
3673
 
@@ -3700,14 +3700,14 @@ class DerivedPropertiesSchema11(
3700
3700
  ] = Field(..., discriminator="name")
3701
3701
 
3702
3702
 
3703
- class Name102(Enum):
3703
+ class Name103(Enum):
3704
3704
  default = "default"
3705
3705
  atomsTooClose = "atomsTooClose"
3706
3706
  atomsOverlap = "atomsOverlap"
3707
3707
 
3708
3708
 
3709
3709
  class MaterialConsistencyCheckSchema11(BaseModel):
3710
- name: Name102
3710
+ name: Name103
3711
3711
  """
3712
3712
  Name of the consistency check that is performed, which is listed in an enum.
3713
3713
  """
@@ -4025,7 +4025,7 @@ class LatticeSchema12(BaseModel):
4025
4025
  )
4026
4026
 
4027
4027
 
4028
- class Name103(Enum):
4028
+ class Name104(Enum):
4029
4029
  volume = "volume"
4030
4030
 
4031
4031
 
@@ -4039,7 +4039,7 @@ class VolumeSchema12(BaseModel):
4039
4039
  value: float
4040
4040
 
4041
4041
 
4042
- class Name104(Enum):
4042
+ class Name105(Enum):
4043
4043
  density = "density"
4044
4044
 
4045
4045
 
@@ -4062,7 +4062,7 @@ class ScalarSchema13(BaseModel):
4062
4062
  value: float
4063
4063
 
4064
4064
 
4065
- class Name105(Enum):
4065
+ class Name106(Enum):
4066
4066
  symmetry = "symmetry"
4067
4067
 
4068
4068
 
@@ -4082,7 +4082,7 @@ class SymmetrySchema12(BaseModel):
4082
4082
  name: Literal["2#-datamodel-code-generator-#-object-#-special-#"]
4083
4083
 
4084
4084
 
4085
- class Name106(Enum):
4085
+ class Name107(Enum):
4086
4086
  elemental_ratio = "elemental_ratio"
4087
4087
 
4088
4088
 
@@ -4095,7 +4095,7 @@ class ElementalRatio12(BaseModel):
4095
4095
  """
4096
4096
 
4097
4097
 
4098
- class Name107(Enum):
4098
+ class Name108(Enum):
4099
4099
  p_norm = "p-norm"
4100
4100
 
4101
4101
 
@@ -4108,7 +4108,7 @@ class PNorm12(BaseModel):
4108
4108
  value: float
4109
4109
 
4110
4110
 
4111
- class Name108(Enum):
4111
+ class Name109(Enum):
4112
4112
  inchi = "inchi"
4113
4113
 
4114
4114
 
@@ -4117,7 +4117,7 @@ class InChIRepresentationSchema12(BaseModel):
4117
4117
  value: str
4118
4118
 
4119
4119
 
4120
- class Name109(Enum):
4120
+ class Name110(Enum):
4121
4121
  inchi_key = "inchi_key"
4122
4122
 
4123
4123
 
@@ -4150,14 +4150,14 @@ class DerivedPropertiesSchema12(
4150
4150
  ] = Field(..., discriminator="name")
4151
4151
 
4152
4152
 
4153
- class Name110(Enum):
4153
+ class Name111(Enum):
4154
4154
  default = "default"
4155
4155
  atomsTooClose = "atomsTooClose"
4156
4156
  atomsOverlap = "atomsOverlap"
4157
4157
 
4158
4158
 
4159
4159
  class MaterialConsistencyCheckSchema12(BaseModel):
4160
- name: Name110
4160
+ name: Name111
4161
4161
  """
4162
4162
  Name of the consistency check that is performed, which is listed in an enum.
4163
4163
  """