diff --git a/.github/workflows/cicd.yml b/.github/workflows/cicd.yml index c0e85b66e..cbd808855 100644 --- a/.github/workflows/cicd.yml +++ b/.github/workflows/cicd.yml @@ -73,6 +73,7 @@ jobs: matrix: node-version: - 20.x + - 22.x steps: - name: Checkout this repository diff --git a/src/py/mat3ra/esse/models/element.py b/src/py/mat3ra/esse/models/element.py index b66e0c8f9..bed45a7b2 100644 --- a/src/py/mat3ra/esse/models/element.py +++ b/src/py/mat3ra/esse/models/element.py @@ -34,16 +34,16 @@ class AtomicRadius(BaseModel): value: float -class Name25(Enum): +class Name24(Enum): electronegativity = "electronegativity" class Electronegativity(BaseModel): - name: Optional[Name25] = None + name: Optional[Name24] = None value: float -class Name26(Enum): +class Name25(Enum): ionization_potential = "ionization_potential" @@ -58,7 +58,7 @@ class Units20(Enum): class IonizationPotential(BaseModel): - name: Optional[Name26] = None + name: Optional[Name25] = None units: Optional[Units20] = None value: float diff --git a/src/py/mat3ra/esse/models/in_memory_entity/has_consistency_check_has_metadata_named_defaultable.py b/src/py/mat3ra/esse/models/in_memory_entity/has_consistency_check_has_metadata_named_defaultable.py index 34dcb7cf2..cac97f593 100644 --- a/src/py/mat3ra/esse/models/in_memory_entity/has_consistency_check_has_metadata_named_defaultable.py +++ b/src/py/mat3ra/esse/models/in_memory_entity/has_consistency_check_has_metadata_named_defaultable.py @@ -10,12 +10,6 @@ from pydantic import BaseModel, Field -class Name(Enum): - default = "default" - atomsTooClose = "atomsTooClose" - atomsOverlap = "atomsOverlap" - - class Severity(Enum): info = "info" warning = "warning" @@ -27,7 +21,7 @@ class ConsistencyCheck(BaseModel): """ Key of the property of the entity on which the consistency check is performed in Mongo dot notation, e.g. 'basis.coordinates.1' """ - name: Name + name: str """ Name of the consistency check that is performed, which is listed in an enum. """ diff --git a/src/py/mat3ra/esse/models/material/__init__.py b/src/py/mat3ra/esse/models/material/__init__.py index 405efa441..05825b9e4 100644 --- a/src/py/mat3ra/esse/models/material/__init__.py +++ b/src/py/mat3ra/esse/models/material/__init__.py @@ -161,7 +161,7 @@ class LatticeSchema(BaseModel): """ -class Name50(Enum): +class Name47(Enum): volume = "volume" @@ -175,7 +175,7 @@ class VolumeSchema(BaseModel): value: float -class Name51(Enum): +class Name48(Enum): density = "density" @@ -198,7 +198,7 @@ class ScalarSchema(BaseModel): value: float -class Name52(Enum): +class Name49(Enum): symmetry = "symmetry" @@ -218,7 +218,7 @@ class SymmetrySchema(BaseModel): name: Literal["2#-datamodel-code-generator-#-object-#-special-#"] -class Name53(Enum): +class Name50(Enum): elemental_ratio = "elemental_ratio" @@ -231,7 +231,7 @@ class ElementalRatio(BaseModel): """ -class Name54(Enum): +class Name51(Enum): p_norm = "p-norm" @@ -244,7 +244,7 @@ class PNorm(BaseModel): value: float -class Name55(Enum): +class Name52(Enum): inchi = "inchi" @@ -253,7 +253,7 @@ class InChIRepresentationSchema(BaseModel): value: str -class Name56(Enum): +class Name53(Enum): inchi_key = "inchi_key" @@ -332,7 +332,7 @@ class FileSourceSchema(BaseModel): """ -class Name57(Enum): +class Name54(Enum): default = "default" atomsTooClose = "atomsTooClose" atomsOverlap = "atomsOverlap" @@ -345,7 +345,7 @@ class Severity(Enum): class MaterialConsistencyCheckSchema(BaseModel): - name: Name57 + name: Name54 """ Name of the consistency check that is performed, which is listed in an enum. """ diff --git a/src/py/mat3ra/esse/models/properties_directory/derived_properties.py b/src/py/mat3ra/esse/models/properties_directory/derived_properties.py index c89789966..15f2357b5 100644 --- a/src/py/mat3ra/esse/models/properties_directory/derived_properties.py +++ b/src/py/mat3ra/esse/models/properties_directory/derived_properties.py @@ -25,7 +25,7 @@ class VolumeSchema(BaseModel): value: float -class Name14(Enum): +class Name13(Enum): density = "density" @@ -48,7 +48,7 @@ class ScalarSchema(BaseModel): value: float -class Name15(Enum): +class Name14(Enum): symmetry = "symmetry" @@ -68,7 +68,7 @@ class SymmetrySchema(BaseModel): name: Literal["2#-datamodel-code-generator-#-object-#-special-#"] -class Name16(Enum): +class Name15(Enum): elemental_ratio = "elemental_ratio" @@ -81,7 +81,7 @@ class ElementalRatio(BaseModel): """ -class Name17(Enum): +class Name16(Enum): p_norm = "p-norm" @@ -94,7 +94,7 @@ class PNorm(BaseModel): value: float -class Name18(Enum): +class Name17(Enum): inchi = "inchi" @@ -103,7 +103,7 @@ class InChIRepresentationSchema(BaseModel): value: str -class Name19(Enum): +class Name18(Enum): inchi_key = "inchi_key" diff --git a/src/py/mat3ra/esse/models/properties_directory/non_scalar/total_energy_contributions.py b/src/py/mat3ra/esse/models/properties_directory/non_scalar/total_energy_contributions.py index ca80255a6..09bdf0dae 100644 --- a/src/py/mat3ra/esse/models/properties_directory/non_scalar/total_energy_contributions.py +++ b/src/py/mat3ra/esse/models/properties_directory/non_scalar/total_energy_contributions.py @@ -19,115 +19,115 @@ class ScalarSchema(BaseModel): value: float -class Name80(Enum): +class Name77(Enum): harris_foulkes = "harris_foulkes" class ScalarSchema6(BaseModel): - name: Optional[Name80] = None + name: Optional[Name77] = None value: float -class Name81(Enum): +class Name78(Enum): one_electron = "one_electron" class ScalarSchema7(BaseModel): - name: Optional[Name81] = None + name: Optional[Name78] = None value: float -class Name82(Enum): +class Name79(Enum): hartree = "hartree" class ScalarSchema8(BaseModel): - name: Optional[Name82] = None + name: Optional[Name79] = None value: float -class Name83(Enum): +class Name80(Enum): exchange = "exchange" class ScalarSchema9(BaseModel): - name: Optional[Name83] = None + name: Optional[Name80] = None value: float -class Name84(Enum): +class Name81(Enum): exchange_correlation = "exchange_correlation" class ScalarSchema10(BaseModel): - name: Optional[Name84] = None + name: Optional[Name81] = None value: float -class Name85(Enum): +class Name82(Enum): ewald = "ewald" class ScalarSchema11(BaseModel): - name: Optional[Name85] = None + name: Optional[Name82] = None value: float -class Name86(Enum): +class Name83(Enum): alphaZ = "alphaZ" class ScalarSchema12(BaseModel): - name: Optional[Name86] = None + name: Optional[Name83] = None value: float -class Name87(Enum): +class Name84(Enum): atomic_energy = "atomic_energy" class ScalarSchema13(BaseModel): - name: Optional[Name87] = None + name: Optional[Name84] = None value: float -class Name88(Enum): +class Name85(Enum): eigenvalues = "eigenvalues" class ScalarSchema14(BaseModel): - name: Optional[Name88] = None + name: Optional[Name85] = None value: float -class Name89(Enum): +class Name86(Enum): PAW_double_counting_correction_2 = "PAW_double-counting_correction_2" class ScalarSchema15(BaseModel): - name: Optional[Name89] = None + name: Optional[Name86] = None value: float -class Name90(Enum): +class Name87(Enum): PAW_double_counting_correction_3 = "PAW_double-counting_correction_3" class ScalarSchema16(BaseModel): - name: Optional[Name90] = None + name: Optional[Name87] = None value: float -class Name91(Enum): +class Name88(Enum): hartree_fock = "hartree_fock" class ScalarSchema17(BaseModel): - name: Optional[Name91] = None + name: Optional[Name88] = None value: float -class Name92(Enum): +class Name89(Enum): total_energy_contributions = "total_energy_contributions" @@ -194,5 +194,5 @@ class TotalEnergyContributionsSchema(BaseModel): """ hartree-fock contribution """ - name: Optional[Name92] = None + name: Optional[Name89] = None units: Optional[Units] = None diff --git a/src/py/mat3ra/esse/models/properties_directory/structural/molecular_pattern.py b/src/py/mat3ra/esse/models/properties_directory/structural/molecular_pattern.py index 84dfad52d..072bc06a0 100644 --- a/src/py/mat3ra/esse/models/properties_directory/structural/molecular_pattern.py +++ b/src/py/mat3ra/esse/models/properties_directory/structural/molecular_pattern.py @@ -37,12 +37,12 @@ class FunctionalGroupPatternSchema(BaseModel): """ -class Name60(Enum): +class Name57(Enum): ring = "ring" class RingPatternSchema(BaseModel): - name: Optional[Name60] = None + name: Optional[Name57] = None atoms: Optional[List[AtomicId]] = Field(None, title="atomic ids") """ array of objects containing integer id each @@ -50,12 +50,12 @@ class RingPatternSchema(BaseModel): isAromatic: Optional[bool] = None -class Name61(Enum): +class Name58(Enum): special_bond = "special_bond" class SpecialBondPatternSchema(BaseModel): - name: Optional[Name61] = None + name: Optional[Name58] = None atoms: Optional[List[AtomicId]] = Field(None, title="atomic ids") """ array of objects containing integer id each diff --git a/src/py/mat3ra/esse/models/system/consistency_check.py b/src/py/mat3ra/esse/models/system/consistency_check.py index 1efa08440..c348d27f6 100644 --- a/src/py/mat3ra/esse/models/system/consistency_check.py +++ b/src/py/mat3ra/esse/models/system/consistency_check.py @@ -9,12 +9,6 @@ from pydantic import BaseModel -class Name(Enum): - default = "default" - atomsTooClose = "atomsTooClose" - atomsOverlap = "atomsOverlap" - - class Severity(Enum): info = "info" warning = "warning" @@ -26,7 +20,7 @@ class ConsistencyCheck(BaseModel): """ Key of the property of the entity on which the consistency check is performed in Mongo dot notation, e.g. 'basis.coordinates.1' """ - name: Name + name: str """ Name of the consistency check that is performed, which is listed in an enum. """ diff --git a/src/py/mat3ra/esse/models/system/has_consistency_check.py b/src/py/mat3ra/esse/models/system/has_consistency_check.py index 619452198..376dd33d1 100644 --- a/src/py/mat3ra/esse/models/system/has_consistency_check.py +++ b/src/py/mat3ra/esse/models/system/has_consistency_check.py @@ -10,12 +10,6 @@ from pydantic import BaseModel -class Name(Enum): - default = "default" - atomsTooClose = "atomsTooClose" - atomsOverlap = "atomsOverlap" - - class Severity(Enum): info = "info" warning = "warning" @@ -27,7 +21,7 @@ class ConsistencyCheck(BaseModel): """ Key of the property of the entity on which the consistency check is performed in Mongo dot notation, e.g. 'basis.coordinates.1' """ - name: Name + name: str """ Name of the consistency check that is performed, which is listed in an enum. """