mat3ra-esse 2025.5.17.post0__py3-none-any.whl → 2025.5.17.post1__py3-none-any.whl

mat3ra/esse/models/materials_category/defects/zero_dimensional/point/configuration.py

@@ -252,13 +252,13 @@ class Value(Enum):
     Og = "Og"
 
 
-class Value15(Enum):
+class Value23(Enum):
     X = "X"
     Vac = "Vac"
 
 
 class AtomicElementSchema(BaseModel):
-    value: Union[Value, Value15]
+    value: Union[Value, Value23]
     """
     All elements, including extra elements
     """
@@ -406,30 +406,30 @@ class VolumeSchema(BaseModel):
     value: float
 
 
-class Name32(Enum):
+class Name64(Enum):
     density = "density"
 
 
-class Units19(Enum):
+class Units31(Enum):
     g_cm_3 = "g/cm^3"
 
 
 class DensitySchema(BaseModel):
     name: Literal["1#-datamodel-code-generator-#-object-#-special-#"]
-    units: Optional[Units19] = None
+    units: Optional[Units31] = None
     value: float
 
 
-class Units20(Enum):
+class Units32(Enum):
     angstrom = "angstrom"
 
 
 class ScalarSchema(BaseModel):
-    units: Optional[Units20] = None
+    units: Optional[Units32] = None
     value: float
 
 
-class Name33(Enum):
+class Name65(Enum):
     symmetry = "symmetry"
 
 
@@ -449,7 +449,7 @@ class SymmetrySchema(BaseModel):
     name: Literal["2#-datamodel-code-generator-#-object-#-special-#"]
 
 
-class Name34(Enum):
+class Name66(Enum):
     elemental_ratio = "elemental_ratio"
 
 
@@ -462,7 +462,7 @@ class ElementalRatio(BaseModel):
     """
 
 
-class Name35(Enum):
+class Name67(Enum):
     p_norm = "p-norm"
 
 
@@ -475,7 +475,7 @@ class PNorm(BaseModel):
     value: float
 
 
-class Name36(Enum):
+class Name68(Enum):
     inchi = "inchi"
 
 
@@ -484,7 +484,7 @@ class InChIRepresentationSchema(BaseModel):
     value: str
 
 
-class Name37(Enum):
+class Name69(Enum):
     inchi_key = "inchi_key"
 
 
@@ -563,7 +563,7 @@ class FileSourceSchema(BaseModel):
     """
 
 
-class Name38(Enum):
+class Name70(Enum):
     default = "default"
     atomsTooClose = "atomsTooClose"
     atomsOverlap = "atomsOverlap"
@@ -576,7 +576,7 @@ class Severity(Enum):
 
 
 class MaterialConsistencyCheckSchema(BaseModel):
-    name: Name38
+    name: Name70
     """
     Name of the consistency check that is performed, which is listed in an enum.
     """

mat3ra/esse/models/materials_category/defects/zero_dimensional/point/interstitial/configuration.py

@@ -252,13 +252,13 @@ class Value(Enum):
     Og = "Og"
 
 
-class Value17(Enum):
+class Value25(Enum):
     X = "X"
     Vac = "Vac"
 
 
 class AtomicElementSchema(BaseModel):
-    value: Union[Value, Value17]
+    value: Union[Value, Value25]
     """
     All elements, including extra elements
     """
@@ -406,30 +406,30 @@ class VolumeSchema(BaseModel):
     value: float
 
 
-class Name40(Enum):
+class Name72(Enum):
     density = "density"
 
 
-class Units22(Enum):
+class Units34(Enum):
     g_cm_3 = "g/cm^3"
 
 
 class DensitySchema(BaseModel):
     name: Literal["1#-datamodel-code-generator-#-object-#-special-#"]
-    units: Optional[Units22] = None
+    units: Optional[Units34] = None
     value: float
 
 
-class Units23(Enum):
+class Units35(Enum):
     angstrom = "angstrom"
 
 
 class ScalarSchema(BaseModel):
-    units: Optional[Units23] = None
+    units: Optional[Units35] = None
     value: float
 
 
-class Name41(Enum):
+class Name73(Enum):
     symmetry = "symmetry"
 
 
@@ -449,7 +449,7 @@ class SymmetrySchema(BaseModel):
     name: Literal["2#-datamodel-code-generator-#-object-#-special-#"]
 
 
-class Name42(Enum):
+class Name74(Enum):
     elemental_ratio = "elemental_ratio"
 
 
@@ -462,7 +462,7 @@ class ElementalRatio(BaseModel):
     """
 
 
-class Name43(Enum):
+class Name75(Enum):
     p_norm = "p-norm"
 
 
@@ -475,7 +475,7 @@ class PNorm(BaseModel):
     value: float
 
 
-class Name44(Enum):
+class Name76(Enum):
     inchi = "inchi"
 
 
@@ -484,7 +484,7 @@ class InChIRepresentationSchema(BaseModel):
     value: str
 
 
-class Name45(Enum):
+class Name77(Enum):
     inchi_key = "inchi_key"
 
 
@@ -563,7 +563,7 @@ class FileSourceSchema(BaseModel):
     """
 
 
-class Name46(Enum):
+class Name78(Enum):
     default = "default"
     atomsTooClose = "atomsTooClose"
     atomsOverlap = "atomsOverlap"
@@ -576,7 +576,7 @@ class Severity(Enum):
 
 
 class MaterialConsistencyCheckSchema(BaseModel):
-    name: Name46
+    name: Name78
     """
     Name of the consistency check that is performed, which is listed in an enum.
     """

mat3ra/esse/models/materials_category/defects/zero_dimensional/point/substitution/configuration.py

@@ -252,13 +252,13 @@ class Value(Enum):
     Og = "Og"
 
 
-class Value21(Enum):
+class Value29(Enum):
     X = "X"
     Vac = "Vac"
 
 
 class AtomicElementSchema(BaseModel):
-    value: Union[Value, Value21]
+    value: Union[Value, Value29]
     """
     All elements, including extra elements
     """
@@ -406,30 +406,30 @@ class VolumeSchema(BaseModel):
     value: float
 
 
-class Name56(Enum):
+class Name88(Enum):
     density = "density"
 
 
-class Units28(Enum):
+class Units40(Enum):
     g_cm_3 = "g/cm^3"
 
 
 class DensitySchema(BaseModel):
     name: Literal["1#-datamodel-code-generator-#-object-#-special-#"]
-    units: Optional[Units28] = None
+    units: Optional[Units40] = None
     value: float
 
 
-class Units29(Enum):
+class Units41(Enum):
     angstrom = "angstrom"
 
 
 class ScalarSchema(BaseModel):
-    units: Optional[Units29] = None
+    units: Optional[Units41] = None
     value: float
 
 
-class Name57(Enum):
+class Name89(Enum):
     symmetry = "symmetry"
 
 
@@ -449,7 +449,7 @@ class SymmetrySchema(BaseModel):
     name: Literal["2#-datamodel-code-generator-#-object-#-special-#"]
 
 
-class Name58(Enum):
+class Name90(Enum):
     elemental_ratio = "elemental_ratio"
 
 
@@ -462,7 +462,7 @@ class ElementalRatio(BaseModel):
     """
 
 
-class Name59(Enum):
+class Name91(Enum):
     p_norm = "p-norm"
 
 
@@ -475,7 +475,7 @@ class PNorm(BaseModel):
     value: float
 
 
-class Name60(Enum):
+class Name92(Enum):
     inchi = "inchi"
 
 
@@ -484,7 +484,7 @@ class InChIRepresentationSchema(BaseModel):
     value: str
 
 
-class Name61(Enum):
+class Name93(Enum):
     inchi_key = "inchi_key"
 
 
@@ -563,7 +563,7 @@ class FileSourceSchema(BaseModel):
     """
 
 
-class Name62(Enum):
+class Name94(Enum):
     default = "default"
     atomsTooClose = "atomsTooClose"
     atomsOverlap = "atomsOverlap"
@@ -576,7 +576,7 @@ class Severity(Enum):
 
 
 class MaterialConsistencyCheckSchema(BaseModel):
-    name: Name62
+    name: Name94
     """
     Name of the consistency check that is performed, which is listed in an enum.
     """

mat3ra/esse/models/materials_category/defects/zero_dimensional/point/vacancy/configuration.py

@@ -252,13 +252,13 @@ class Value(Enum):
     Og = "Og"
 
 
-class Value19(Enum):
+class Value27(Enum):
     X = "X"
     Vac = "Vac"
 
 
 class AtomicElementSchema(BaseModel):
-    value: Union[Value, Value19]
+    value: Union[Value, Value27]
     """
     All elements, including extra elements
     """
@@ -406,30 +406,30 @@ class VolumeSchema(BaseModel):
     value: float
 
 
-class Name48(Enum):
+class Name80(Enum):
     density = "density"
 
 
-class Units25(Enum):
+class Units37(Enum):
     g_cm_3 = "g/cm^3"
 
 
 class DensitySchema(BaseModel):
     name: Literal["1#-datamodel-code-generator-#-object-#-special-#"]
-    units: Optional[Units25] = None
+    units: Optional[Units37] = None
     value: float
 
 
-class Units26(Enum):
+class Units38(Enum):
     angstrom = "angstrom"
 
 
 class ScalarSchema(BaseModel):
-    units: Optional[Units26] = None
+    units: Optional[Units38] = None
     value: float
 
 
-class Name49(Enum):
+class Name81(Enum):
     symmetry = "symmetry"
 
 
@@ -449,7 +449,7 @@ class SymmetrySchema(BaseModel):
     name: Literal["2#-datamodel-code-generator-#-object-#-special-#"]
 
 
-class Name50(Enum):
+class Name82(Enum):
     elemental_ratio = "elemental_ratio"
 
 
@@ -462,7 +462,7 @@ class ElementalRatio(BaseModel):
     """
 
 
-class Name51(Enum):
+class Name83(Enum):
     p_norm = "p-norm"
 
 
@@ -475,7 +475,7 @@ class PNorm(BaseModel):
     value: float
 
 
-class Name52(Enum):
+class Name84(Enum):
     inchi = "inchi"
 
 
@@ -484,7 +484,7 @@ class InChIRepresentationSchema(BaseModel):
     value: str
 
 
-class Name53(Enum):
+class Name85(Enum):
     inchi_key = "inchi_key"
 
 
@@ -563,7 +563,7 @@ class FileSourceSchema(BaseModel):
     """
 
 
-class Name54(Enum):
+class Name86(Enum):
     default = "default"
     atomsTooClose = "atomsTooClose"
     atomsOverlap = "atomsOverlap"
@@ -576,7 +576,7 @@ class Severity(Enum):
 
 
 class MaterialConsistencyCheckSchema(BaseModel):
-    name: Name54
+    name: Name86
     """
     Name of the consistency check that is performed, which is listed in an enum.
     """

mat3ra/esse/models/materials_category/single_material/two_dimensional/slab/configuration.py

@@ -131,13 +131,13 @@ class Value(Enum):
     Og = "Og"
 
 
-class Value23(Enum):
+class Value33(Enum):
     X = "X"
     Vac = "Vac"
 
 
 class AtomicElementSchema(BaseModel):
-    value: Union[Value, Value23]
+    value: Union[Value, Value33]
     """
     All elements, including extra elements
     """
@@ -285,30 +285,30 @@ class VolumeSchema(BaseModel):
     value: float
 
 
-class Name64(Enum):
+class Name104(Enum):
     density = "density"
 
 
-class Units31(Enum):
+class Units46(Enum):
     g_cm_3 = "g/cm^3"
 
 
 class DensitySchema(BaseModel):
     name: Literal["1#-datamodel-code-generator-#-object-#-special-#"]
-    units: Optional[Units31] = None
+    units: Optional[Units46] = None
     value: float
 
 
-class Units32(Enum):
+class Units47(Enum):
     angstrom = "angstrom"
 
 
 class ScalarSchema(BaseModel):
-    units: Optional[Units32] = None
+    units: Optional[Units47] = None
     value: float
 
 
-class Name65(Enum):
+class Name105(Enum):
     symmetry = "symmetry"
 
 
@@ -328,7 +328,7 @@ class SymmetrySchema(BaseModel):
     name: Literal["2#-datamodel-code-generator-#-object-#-special-#"]
 
 
-class Name66(Enum):
+class Name106(Enum):
     elemental_ratio = "elemental_ratio"
 
 
@@ -341,7 +341,7 @@ class ElementalRatio(BaseModel):
     """
 
 
-class Name67(Enum):
+class Name107(Enum):
     p_norm = "p-norm"
 
 
@@ -354,7 +354,7 @@ class PNorm(BaseModel):
     value: float
 
 
-class Name68(Enum):
+class Name108(Enum):
     inchi = "inchi"
 
 
@@ -363,7 +363,7 @@ class InChIRepresentationSchema(BaseModel):
     value: str
 
 
-class Name69(Enum):
+class Name109(Enum):
     inchi_key = "inchi_key"
 
 
@@ -442,7 +442,7 @@ class FileSourceSchema(BaseModel):
     """
 
 
-class Name70(Enum):
+class Name110(Enum):
     default = "default"
     atomsTooClose = "atomsTooClose"
     atomsOverlap = "atomsOverlap"
@@ -455,7 +455,7 @@ class Severity(Enum):
 
 
 class MaterialConsistencyCheckSchema(BaseModel):
-    name: Name70
+    name: Name110
     """
     Name of the consistency check that is performed, which is listed in an enum.
     """

mat3ra/esse/models/properties_directory/derived_properties.py

@@ -24,30 +24,30 @@ class VolumeSchema(BaseModel):
     value: float
 
 
-class Name76(Enum):
+class Name116(Enum):
     density = "density"
 
 
-class Units37(Enum):
+class Units52(Enum):
     g_cm_3 = "g/cm^3"
 
 
 class DensitySchema(BaseModel):
     name: Literal["1#-datamodel-code-generator-#-object-#-special-#"]
-    units: Optional[Units37] = None
+    units: Optional[Units52] = None
     value: float
 
 
-class Units38(Enum):
+class Units53(Enum):
     angstrom = "angstrom"
 
 
 class ScalarSchema(BaseModel):
-    units: Optional[Units38] = None
+    units: Optional[Units53] = None
     value: float
 
 
-class Name77(Enum):
+class Name117(Enum):
     symmetry = "symmetry"
 
 
@@ -67,7 +67,7 @@ class SymmetrySchema(BaseModel):
     name: Literal["2#-datamodel-code-generator-#-object-#-special-#"]
 
 
-class Name78(Enum):
+class Name118(Enum):
     elemental_ratio = "elemental_ratio"
 
 
@@ -80,7 +80,7 @@ class ElementalRatio(BaseModel):
     """
 
 
-class Name79(Enum):
+class Name119(Enum):
     p_norm = "p-norm"
 
 
@@ -93,7 +93,7 @@ class PNorm(BaseModel):
     value: float
 
 
-class Name80(Enum):
+class Name120(Enum):
     inchi = "inchi"
 
 
@@ -102,7 +102,7 @@ class InChIRepresentationSchema(BaseModel):
     value: str
 
 
-class Name81(Enum):
+class Name121(Enum):
     inchi_key = "inchi_key"
 
 
@@ -135,5 +135,5 @@ class DerivedPropertiesSchema(
     ] = Field(..., discriminator="name")
 
 
-class DerivedPropertiesSchema8(RootModel[List[DerivedPropertiesSchema]]):
+class DerivedPropertiesSchema13(RootModel[List[DerivedPropertiesSchema]]):
     root: List[DerivedPropertiesSchema] = Field(..., title="derived properties schema")

mat3ra/esse/models/properties_directory/non_scalar/density_of_states.py

@@ -39,7 +39,7 @@ class Label7(Enum):
     density_of_states = "density of states"
 
 
-class Units35(Enum):
+class Units50(Enum):
     states_unitcell = "states/unitcell"
 
 
@@ -48,7 +48,7 @@ class AxisSchema10(BaseModel):
     """
     label of an axis object
     """
-    units: Optional[Units35] = None
+    units: Optional[Units50] = None
     """
     units for an axis
     """

mat3ra/esse/models/properties_directory/non_scalar/phonon_dispersions.py

@@ -34,7 +34,7 @@ class Label9(Enum):
     frequency = "frequency"
 
 
-class Units72(Enum):
+class Units78(Enum):
     cm_1 = "cm-1"
     THz = "THz"
     meV = "meV"
@@ -45,7 +45,7 @@ class AxisSchema12(BaseModel):
     """
     label of an axis object
     """
-    units: Optional[Units72] = None
+    units: Optional[Units78] = None
     """
     units for an axis
     """

mat3ra/esse/models/properties_directory/non_scalar/phonon_dos.py

@@ -35,7 +35,7 @@ class Label11(Enum):
     Phonon_DOS = "Phonon DOS"
 
 
-class Units74(Enum):
+class Units80(Enum):
     states_cm_1 = "states/cm-1"
     states_THz = "states/THz"
     states_meV = "states/meV"
@@ -46,7 +46,7 @@ class AxisSchema14(BaseModel):
     """
     label of an axis object
     """
-    units: Optional[Units74] = None
+    units: Optional[Units80] = None
     """
     units for an axis
     """