mat3ra-esse 2025.7.29.post0__py3-none-any.whl → 2025.8.6.post1__py3-none-any.whl

mat3ra/esse/models/materials_category_components/entities/core/three_dimensional/crystal.py

@@ -131,13 +131,13 @@ class Value(Enum):
     Og = "Og"
 
 
-class Value131(Enum):
+class Value107(Enum):
     X = "X"
     Vac = "Vac"
 
 
 class AtomicElementSchema(BaseModel):
-    value: Union[Value, Value131]
+    value: Union[Value, Value107]
     """
     All elements, including extra elements
     """
@@ -285,30 +285,30 @@ class VolumeSchema(BaseModel):
     value: float
 
 
-class Name497(Enum):
+class Name401(Enum):
     density = "density"
 
 
-class Units193(Enum):
+class Units157(Enum):
     g_cm_3 = "g/cm^3"
 
 
 class DensitySchema(BaseModel):
     name: Literal["1#-datamodel-code-generator-#-object-#-special-#"]
-    units: Optional[Units193] = None
+    units: Optional[Units157] = None
     value: float
 
 
-class Units194(Enum):
+class Units158(Enum):
     angstrom = "angstrom"
 
 
 class ScalarSchema(BaseModel):
-    units: Optional[Units194] = None
+    units: Optional[Units158] = None
     value: float
 
 
-class Name498(Enum):
+class Name402(Enum):
     symmetry = "symmetry"
 
 
@@ -328,7 +328,7 @@ class SymmetrySchema(BaseModel):
     name: Literal["2#-datamodel-code-generator-#-object-#-special-#"]
 
 
-class Name499(Enum):
+class Name403(Enum):
     elemental_ratio = "elemental_ratio"
 
 
@@ -341,7 +341,7 @@ class ElementalRatio(BaseModel):
     """
 
 
-class Name500(Enum):
+class Name404(Enum):
     p_norm = "p-norm"
 
 
@@ -354,7 +354,7 @@ class PNorm(BaseModel):
     value: float
 
 
-class Name501(Enum):
+class Name405(Enum):
     inchi = "inchi"
 
 
@@ -363,7 +363,7 @@ class InChIRepresentationSchema(BaseModel):
     value: str
 
 
-class Name502(Enum):
+class Name406(Enum):
     inchi_key = "inchi_key"
 
 
@@ -442,7 +442,7 @@ class FileSourceSchema(BaseModel):
     """
 
 
-class Name503(Enum):
+class Name407(Enum):
     default = "default"
     atomsTooClose = "atomsTooClose"
     atomsOverlap = "atomsOverlap"
@@ -455,7 +455,7 @@ class Severity(Enum):
 
 
 class MaterialConsistencyCheckSchema(BaseModel):
-    name: Name503
+    name: Name407
     """
     Name of the consistency check that is performed, which is listed in an enum.
     """

mat3ra/esse/models/materials_category_components/entities/core/two_dimensional/vacuum.py

@@ -137,13 +137,13 @@ class Value(Enum):
     Og = "Og"
 
 
-class Value201(Enum):
+class Value173(Enum):
     X = "X"
     Vac = "Vac"
 
 
 class AtomicElementSchema(BaseModel):
-    value: Union[Value, Value201]
+    value: Union[Value, Value173]
     """
     All elements, including extra elements
     """
@@ -291,30 +291,30 @@ class VolumeSchema(BaseModel):
     value: float
 
 
-class Name825(Enum):
+class Name713(Enum):
     density = "density"
 
 
-class Units332(Enum):
+class Units290(Enum):
     g_cm_3 = "g/cm^3"
 
 
 class DensitySchema(BaseModel):
     name: Literal["1#-datamodel-code-generator-#-object-#-special-#"]
-    units: Optional[Units332] = None
+    units: Optional[Units290] = None
     value: float
 
 
-class Units333(Enum):
+class Units291(Enum):
     angstrom = "angstrom"
 
 
 class ScalarSchema(BaseModel):
-    units: Optional[Units333] = None
+    units: Optional[Units291] = None
     value: float
 
 
-class Name826(Enum):
+class Name714(Enum):
     symmetry = "symmetry"
 
 
@@ -334,7 +334,7 @@ class SymmetrySchema(BaseModel):
     name: Literal["2#-datamodel-code-generator-#-object-#-special-#"]
 
 
-class Name827(Enum):
+class Name715(Enum):
     elemental_ratio = "elemental_ratio"
 
 
@@ -347,7 +347,7 @@ class ElementalRatio(BaseModel):
     """
 
 
-class Name828(Enum):
+class Name716(Enum):
     p_norm = "p-norm"
 
 
@@ -360,7 +360,7 @@ class PNorm(BaseModel):
     value: float
 
 
-class Name829(Enum):
+class Name717(Enum):
     inchi = "inchi"
 
 
@@ -369,7 +369,7 @@ class InChIRepresentationSchema(BaseModel):
     value: str
 
 
-class Name830(Enum):
+class Name718(Enum):
     inchi_key = "inchi_key"
 
 
@@ -448,7 +448,7 @@ class FileSourceSchema(BaseModel):
     """
 
 
-class Name831(Enum):
+class Name719(Enum):
     default = "default"
     atomsTooClose = "atomsTooClose"
     atomsOverlap = "atomsOverlap"
@@ -461,7 +461,7 @@ class Severity(Enum):
 
 
 class MaterialConsistencyCheckSchema(BaseModel):
-    name: Name831
+    name: Name719
     """
     Name of the consistency check that is performed, which is listed in an enum.
     """

mat3ra/esse/models/materials_category_components/entities/reusable/one_dimensional/crystal_lattice_lines.py

@@ -131,13 +131,13 @@ class Value(Enum):
     Og = "Og"
 
 
-class Value135(Enum):
+class Value111(Enum):
     X = "X"
     Vac = "Vac"
 
 
 class AtomicElementSchema(BaseModel):
-    value: Union[Value, Value135]
+    value: Union[Value, Value111]
     """
     All elements, including extra elements
     """
@@ -285,30 +285,30 @@ class VolumeSchema(BaseModel):
     value: float
 
 
-class Name513(Enum):
+class Name417(Enum):
     density = "density"
 
 
-class Units199(Enum):
+class Units163(Enum):
     g_cm_3 = "g/cm^3"
 
 
 class DensitySchema(BaseModel):
     name: Literal["1#-datamodel-code-generator-#-object-#-special-#"]
-    units: Optional[Units199] = None
+    units: Optional[Units163] = None
     value: float
 
 
-class Units200(Enum):
+class Units164(Enum):
     angstrom = "angstrom"
 
 
 class ScalarSchema(BaseModel):
-    units: Optional[Units200] = None
+    units: Optional[Units164] = None
     value: float
 
 
-class Name514(Enum):
+class Name418(Enum):
     symmetry = "symmetry"
 
 
@@ -328,7 +328,7 @@ class SymmetrySchema(BaseModel):
     name: Literal["2#-datamodel-code-generator-#-object-#-special-#"]
 
 
-class Name515(Enum):
+class Name419(Enum):
     elemental_ratio = "elemental_ratio"
 
 
@@ -341,7 +341,7 @@ class ElementalRatio(BaseModel):
     """
 
 
-class Name516(Enum):
+class Name420(Enum):
     p_norm = "p-norm"
 
 
@@ -354,7 +354,7 @@ class PNorm(BaseModel):
     value: float
 
 
-class Name517(Enum):
+class Name421(Enum):
     inchi = "inchi"
 
 
@@ -363,7 +363,7 @@ class InChIRepresentationSchema(BaseModel):
     value: str
 
 
-class Name518(Enum):
+class Name422(Enum):
     inchi_key = "inchi_key"
 
 
@@ -442,7 +442,7 @@ class FileSourceSchema(BaseModel):
     """
 
 
-class Name519(Enum):
+class Name423(Enum):
     default = "default"
     atomsTooClose = "atomsTooClose"
     atomsOverlap = "atomsOverlap"
@@ -455,7 +455,7 @@ class Severity(Enum):
 
 
 class MaterialConsistencyCheckSchema(BaseModel):
-    name: Name519
+    name: Name423
     """
     Name of the consistency check that is performed, which is listed in an enum.
     """

mat3ra/esse/models/materials_category_components/entities/reusable/one_dimensional/crystal_lattice_lines_unique_repeated.py

@@ -144,7 +144,7 @@ class TerminationSchema(BaseModel):
     """
 
 
-class TerminationSchema27(BaseModel):
+class TerminationSchema21(BaseModel):
     chemical_elements: Union[ChemicalElements, constr(pattern=r"^([A-Z][a-z]?[0-9]*)+$")] = Field(
         ..., title="Chemical Elements"
     )
@@ -278,13 +278,13 @@ class Value(Enum):
     Og = "Og"
 
 
-class Value137(Enum):
+class Value113(Enum):
     X = "X"
     Vac = "Vac"
 
 
 class AtomicElementSchema(BaseModel):
-    value: Union[Value, Value137]
+    value: Union[Value, Value113]
     """
     All elements, including extra elements
     """
@@ -432,30 +432,30 @@ class VolumeSchema(BaseModel):
     value: float
 
 
-class Name521(Enum):
+class Name425(Enum):
     density = "density"
 
 
-class Units202(Enum):
+class Units166(Enum):
     g_cm_3 = "g/cm^3"
 
 
 class DensitySchema(BaseModel):
     name: Literal["1#-datamodel-code-generator-#-object-#-special-#"]
-    units: Optional[Units202] = None
+    units: Optional[Units166] = None
     value: float
 
 
-class Units203(Enum):
+class Units167(Enum):
     angstrom = "angstrom"
 
 
 class ScalarSchema(BaseModel):
-    units: Optional[Units203] = None
+    units: Optional[Units167] = None
     value: float
 
 
-class Name522(Enum):
+class Name426(Enum):
     symmetry = "symmetry"
 
 
@@ -475,7 +475,7 @@ class SymmetrySchema(BaseModel):
     name: Literal["2#-datamodel-code-generator-#-object-#-special-#"]
 
 
-class Name523(Enum):
+class Name427(Enum):
     elemental_ratio = "elemental_ratio"
 
 
@@ -488,7 +488,7 @@ class ElementalRatio(BaseModel):
     """
 
 
-class Name524(Enum):
+class Name428(Enum):
     p_norm = "p-norm"
 
 
@@ -501,7 +501,7 @@ class PNorm(BaseModel):
     value: float
 
 
-class Name525(Enum):
+class Name429(Enum):
     inchi = "inchi"
 
 
@@ -510,7 +510,7 @@ class InChIRepresentationSchema(BaseModel):
     value: str
 
 
-class Name526(Enum):
+class Name430(Enum):
     inchi_key = "inchi_key"
 
 
@@ -589,7 +589,7 @@ class FileSourceSchema(BaseModel):
     """
 
 
-class Name527(Enum):
+class Name431(Enum):
     default = "default"
     atomsTooClose = "atomsTooClose"
     atomsOverlap = "atomsOverlap"
@@ -602,7 +602,7 @@ class Severity(Enum):
 
 
 class MaterialConsistencyCheckSchema(BaseModel):
-    name: Name527
+    name: Name431
     """
     Name of the consistency check that is performed, which is listed in an enum.
     """
@@ -682,7 +682,7 @@ class CrystalLatticeLinesUniqueRepeatedSchema(BaseModel):
     """
     Defines a specific termination of a slab
     """
-    termination_bottom: Optional[TerminationSchema27] = Field(None, title="Termination Schema")
+    termination_bottom: Optional[TerminationSchema21] = Field(None, title="Termination Schema")
     """
     Defines a specific termination of a slab
     """

mat3ra/esse/models/materials_category_components/entities/reusable/three_dimensional/crystal_lattice_base.py

@@ -131,13 +131,13 @@ class Value(Enum):
     Og = "Og"
 
 
-class Value133(Enum):
+class Value109(Enum):
     X = "X"
     Vac = "Vac"
 
 
 class AtomicElementSchema(BaseModel):
-    value: Union[Value, Value133]
+    value: Union[Value, Value109]
     """
     All elements, including extra elements
     """
@@ -285,30 +285,30 @@ class VolumeSchema(BaseModel):
     value: float
 
 
-class Name505(Enum):
+class Name409(Enum):
     density = "density"
 
 
-class Units196(Enum):
+class Units160(Enum):
     g_cm_3 = "g/cm^3"
 
 
 class DensitySchema(BaseModel):
     name: Literal["1#-datamodel-code-generator-#-object-#-special-#"]
-    units: Optional[Units196] = None
+    units: Optional[Units160] = None
     value: float
 
 
-class Units197(Enum):
+class Units161(Enum):
     angstrom = "angstrom"
 
 
 class ScalarSchema(BaseModel):
-    units: Optional[Units197] = None
+    units: Optional[Units161] = None
     value: float
 
 
-class Name506(Enum):
+class Name410(Enum):
     symmetry = "symmetry"
 
 
@@ -328,7 +328,7 @@ class SymmetrySchema(BaseModel):
     name: Literal["2#-datamodel-code-generator-#-object-#-special-#"]
 
 
-class Name507(Enum):
+class Name411(Enum):
     elemental_ratio = "elemental_ratio"
 
 
@@ -341,7 +341,7 @@ class ElementalRatio(BaseModel):
     """
 
 
-class Name508(Enum):
+class Name412(Enum):
     p_norm = "p-norm"
 
 
@@ -354,7 +354,7 @@ class PNorm(BaseModel):
     value: float
 
 
-class Name509(Enum):
+class Name413(Enum):
     inchi = "inchi"
 
 
@@ -363,7 +363,7 @@ class InChIRepresentationSchema(BaseModel):
     value: str
 
 
-class Name510(Enum):
+class Name414(Enum):
     inchi_key = "inchi_key"
 
 
@@ -442,7 +442,7 @@ class FileSourceSchema(BaseModel):
     """
 
 
-class Name511(Enum):
+class Name415(Enum):
     default = "default"
     atomsTooClose = "atomsTooClose"
     atomsOverlap = "atomsOverlap"
@@ -455,7 +455,7 @@ class Severity(Enum):
 
 
 class MaterialConsistencyCheckSchema(BaseModel):
-    name: Name511
+    name: Name415
     """
     Name of the consistency check that is performed, which is listed in an enum.
     """

mat3ra/esse/models/materials_category_components/entities/reusable/{repetitions.py → three_dimensional/repetitions.py}

@@ -1,5 +1,5 @@
 # generated by datamodel-codegen:
-#   filename:  materials_category_components/entities/reusable/repetitions.json
+#   filename:  materials_category_components/entities/reusable/three_dimensional/repetitions.json
 #   version:   0.28.5
 
 from __future__ import annotations

mat3ra/esse/models/materials_category_components/entities/reusable/three_dimensional/strained_non_uniform.py

@@ -131,13 +131,13 @@ class Value(Enum):
     Og = "Og"
 
 
-class Value189(Enum):
+class Value161(Enum):
     X = "X"
     Vac = "Vac"
 
 
 class AtomicElementSchema(BaseModel):
-    value: Union[Value, Value189]
+    value: Union[Value, Value161]
     """
     All elements, including extra elements
     """
@@ -285,30 +285,30 @@ class VolumeSchema(BaseModel):
     value: float
 
 
-class Name758(Enum):
+class Name646(Enum):
     density = "density"
 
 
-class Units306(Enum):
+class Units264(Enum):
     g_cm_3 = "g/cm^3"
 
 
 class DensitySchema(BaseModel):
     name: Literal["1#-datamodel-code-generator-#-object-#-special-#"]
-    units: Optional[Units306] = None
+    units: Optional[Units264] = None
     value: float
 
 
-class Units307(Enum):
+class Units265(Enum):
     angstrom = "angstrom"
 
 
 class ScalarSchema(BaseModel):
-    units: Optional[Units307] = None
+    units: Optional[Units265] = None
     value: float
 
 
-class Name759(Enum):
+class Name647(Enum):
     symmetry = "symmetry"
 
 
@@ -328,7 +328,7 @@ class SymmetrySchema(BaseModel):
     name: Literal["2#-datamodel-code-generator-#-object-#-special-#"]
 
 
-class Name760(Enum):
+class Name648(Enum):
     elemental_ratio = "elemental_ratio"
 
 
@@ -341,7 +341,7 @@ class ElementalRatio(BaseModel):
     """
 
 
-class Name761(Enum):
+class Name649(Enum):
     p_norm = "p-norm"
 
 
@@ -354,7 +354,7 @@ class PNorm(BaseModel):
     value: float
 
 
-class Name762(Enum):
+class Name650(Enum):
     inchi = "inchi"
 
 
@@ -363,7 +363,7 @@ class InChIRepresentationSchema(BaseModel):
     value: str
 
 
-class Name763(Enum):
+class Name651(Enum):
     inchi_key = "inchi_key"
 
 
@@ -442,7 +442,7 @@ class FileSourceSchema(BaseModel):
     """
 
 
-class Name764(Enum):
+class Name652(Enum):
     default = "default"
     atomsTooClose = "atomsTooClose"
     atomsOverlap = "atomsOverlap"
@@ -455,7 +455,7 @@ class Severity(Enum):
 
 
 class MaterialConsistencyCheckSchema(BaseModel):
-    name: Name764
+    name: Name652
     """
     Name of the consistency check that is performed, which is listed in an enum.
     """