mat3ra-esse 2025.7.15.post0__py3-none-any.whl → 2025.8.6.post0__py3-none-any.whl

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

@@ -131,13 +131,13 @@ class Value(Enum):
     Og = "Og"
 
 
-class Value51(Enum):
+class Value163(Enum):
     X = "X"
     Vac = "Vac"
 
 
 class AtomicElementSchema(BaseModel):
-    value: Union[Value, Value51]
+    value: Union[Value, Value163]
     """
     All elements, including extra elements
     """
@@ -285,30 +285,30 @@ class VolumeSchema(BaseModel):
     value: float
 
 
-class Name206(Enum):
+class Name654(Enum):
     density = "density"
 
 
-class Units99(Enum):
+class Units267(Enum):
     g_cm_3 = "g/cm^3"
 
 
 class DensitySchema(BaseModel):
     name: Literal["1#-datamodel-code-generator-#-object-#-special-#"]
-    units: Optional[Units99] = None
+    units: Optional[Units267] = None
     value: float
 
 
-class Units100(Enum):
+class Units268(Enum):
     angstrom = "angstrom"
 
 
 class ScalarSchema(BaseModel):
-    units: Optional[Units100] = None
+    units: Optional[Units268] = None
     value: float
 
 
-class Name207(Enum):
+class Name655(Enum):
     symmetry = "symmetry"
 
 
@@ -328,7 +328,7 @@ class SymmetrySchema(BaseModel):
     name: Literal["2#-datamodel-code-generator-#-object-#-special-#"]
 
 
-class Name208(Enum):
+class Name656(Enum):
     elemental_ratio = "elemental_ratio"
 
 
@@ -341,7 +341,7 @@ class ElementalRatio(BaseModel):
     """
 
 
-class Name209(Enum):
+class Name657(Enum):
     p_norm = "p-norm"
 
 
@@ -354,7 +354,7 @@ class PNorm(BaseModel):
     value: float
 
 
-class Name210(Enum):
+class Name658(Enum):
     inchi = "inchi"
 
 
@@ -363,7 +363,7 @@ class InChIRepresentationSchema(BaseModel):
     value: str
 
 
-class Name211(Enum):
+class Name659(Enum):
     inchi_key = "inchi_key"
 
 
@@ -442,7 +442,7 @@ class FileSourceSchema(BaseModel):
     """
 
 
-class Name212(Enum):
+class Name660(Enum):
     default = "default"
     atomsTooClose = "atomsTooClose"
     atomsOverlap = "atomsOverlap"
@@ -455,7 +455,7 @@ class Severity(Enum):
 
 
 class MaterialConsistencyCheckSchema(BaseModel):
-    name: Name212
+    name: Name660
     """
     Name of the consistency check that is performed, which is listed in an enum.
     """

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

@@ -131,13 +131,13 @@ class Value(Enum):
     Og = "Og"
 
 
-class Value53(Enum):
+class Value169(Enum):
     X = "X"
     Vac = "Vac"
 
 
 class AtomicElementSchema(BaseModel):
-    value: Union[Value, Value53]
+    value: Union[Value, Value169]
     """
     All elements, including extra elements
     """
@@ -285,30 +285,30 @@ class VolumeSchema(BaseModel):
     value: float
 
 
-class Name215(Enum):
+class Name679(Enum):
     density = "density"
 
 
-class Units103(Enum):
+class Units277(Enum):
     g_cm_3 = "g/cm^3"
 
 
 class DensitySchema(BaseModel):
     name: Literal["1#-datamodel-code-generator-#-object-#-special-#"]
-    units: Optional[Units103] = None
+    units: Optional[Units277] = None
     value: float
 
 
-class Units104(Enum):
+class Units278(Enum):
     angstrom = "angstrom"
 
 
 class ScalarSchema(BaseModel):
-    units: Optional[Units104] = None
+    units: Optional[Units278] = None
     value: float
 
 
-class Name216(Enum):
+class Name680(Enum):
     symmetry = "symmetry"
 
 
@@ -328,7 +328,7 @@ class SymmetrySchema(BaseModel):
     name: Literal["2#-datamodel-code-generator-#-object-#-special-#"]
 
 
-class Name217(Enum):
+class Name681(Enum):
     elemental_ratio = "elemental_ratio"
 
 
@@ -341,7 +341,7 @@ class ElementalRatio(BaseModel):
     """
 
 
-class Name218(Enum):
+class Name682(Enum):
     p_norm = "p-norm"
 
 
@@ -354,7 +354,7 @@ class PNorm(BaseModel):
     value: float
 
 
-class Name219(Enum):
+class Name683(Enum):
     inchi = "inchi"
 
 
@@ -363,7 +363,7 @@ class InChIRepresentationSchema(BaseModel):
     value: str
 
 
-class Name220(Enum):
+class Name684(Enum):
     inchi_key = "inchi_key"
 
 
@@ -442,7 +442,7 @@ class FileSourceSchema(BaseModel):
     """
 
 
-class Name221(Enum):
+class Name685(Enum):
     default = "default"
     atomsTooClose = "atomsTooClose"
     atomsOverlap = "atomsOverlap"
@@ -455,7 +455,7 @@ class Severity(Enum):
 
 
 class MaterialConsistencyCheckSchema(BaseModel):
-    name: Name221
+    name: Name685
     """
     Name of the consistency check that is performed, which is listed in an enum.
     """

mat3ra/esse/models/materials_category_components/entities/reusable/two_dimensional/atomic_layers.py

@@ -669,14 +669,14 @@ class AtomicLayersSchema(BaseModel):
     """
     All possible terminations for this orientation.
     """
-    crystal: CrystalSchema = Field(..., title="Crystal Schema")
-    """
-    A crystal structure, referencing the base material schema
-    """
     miller_indices: Optional[List[int]] = Field([0, 0, 1], max_length=3, min_length=3, title="Miller Indices Schema")
     """
     Miller indices [h, k, l] defining crystallographic planes
     """
+    crystal: CrystalSchema = Field(..., title="Crystal Schema")
+    """
+    A crystal structure, referencing the base material schema
+    """
     use_conventional_cell: Optional[bool] = True
     """
     Use the conventional cell for the crystal structure

mat3ra/esse/models/materials_category_components/entities/reusable/two_dimensional/atomic_layers_unique.py

@@ -669,14 +669,14 @@ class AtomicLayersUniqueSchema(BaseModel):
     """
     All possible terminations for this orientation.
     """
-    crystal: CrystalSchema = Field(..., title="Crystal Schema")
-    """
-    A crystal structure, referencing the base material schema
-    """
     miller_indices: Optional[List[int]] = Field([0, 0, 1], max_length=3, min_length=3, title="Miller Indices Schema")
     """
     Miller indices [h, k, l] defining crystallographic planes
     """
+    crystal: CrystalSchema = Field(..., title="Crystal Schema")
+    """
+    A crystal structure, referencing the base material schema
+    """
     use_conventional_cell: Optional[bool] = True
     """
     Use the conventional cell for the crystal structure

mat3ra/esse/models/materials_category_components/entities/reusable/two_dimensional/atomic_layers_unique_repeated.py

@@ -673,14 +673,14 @@ class AtomicLayersUniqueRepeatedSchema(BaseModel):
     """
     Number of repetitions of the unique atomic layers
     """
-    crystal: CrystalSchema = Field(..., title="Crystal Schema")
-    """
-    A crystal structure, referencing the base material schema
-    """
     miller_indices: Optional[List[int]] = Field([0, 0, 1], max_length=3, min_length=3, title="Miller Indices Schema")
     """
     Miller indices [h, k, l] defining crystallographic planes
     """
+    crystal: CrystalSchema = Field(..., title="Crystal Schema")
+    """
+    A crystal structure, referencing the base material schema
+    """
     use_conventional_cell: Optional[bool] = True
     """
     Use the conventional cell for the crystal structure

mat3ra/esse/models/materials_category_components/entities/reusable/two_dimensional/crystal_lattice_planes.py

@@ -131,13 +131,13 @@ class Value(Enum):
     Og = "Og"
 
 
-class Value17(Enum):
+class Value115(Enum):
     X = "X"
     Vac = "Vac"
 
 
 class AtomicElementSchema(BaseModel):
-    value: Union[Value, Value17]
+    value: Union[Value, Value115]
     """
     All elements, including extra elements
     """
@@ -285,30 +285,30 @@ class VolumeSchema(BaseModel):
     value: float
 
 
-class Name41(Enum):
+class Name433(Enum):
     density = "density"
 
 
-class Units22(Enum):
+class Units169(Enum):
     g_cm_3 = "g/cm^3"
 
 
 class DensitySchema(BaseModel):
     name: Literal["1#-datamodel-code-generator-#-object-#-special-#"]
-    units: Optional[Units22] = None
+    units: Optional[Units169] = None
     value: float
 
 
-class Units23(Enum):
+class Units170(Enum):
     angstrom = "angstrom"
 
 
 class ScalarSchema(BaseModel):
-    units: Optional[Units23] = None
+    units: Optional[Units170] = None
     value: float
 
 
-class Name42(Enum):
+class Name434(Enum):
     symmetry = "symmetry"
 
 
@@ -328,7 +328,7 @@ class SymmetrySchema(BaseModel):
     name: Literal["2#-datamodel-code-generator-#-object-#-special-#"]
 
 
-class Name43(Enum):
+class Name435(Enum):
     elemental_ratio = "elemental_ratio"
 
 
@@ -341,7 +341,7 @@ class ElementalRatio(BaseModel):
     """
 
 
-class Name44(Enum):
+class Name436(Enum):
     p_norm = "p-norm"
 
 
@@ -354,7 +354,7 @@ class PNorm(BaseModel):
     value: float
 
 
-class Name45(Enum):
+class Name437(Enum):
     inchi = "inchi"
 
 
@@ -363,7 +363,7 @@ class InChIRepresentationSchema(BaseModel):
     value: str
 
 
-class Name46(Enum):
+class Name438(Enum):
     inchi_key = "inchi_key"
 
 
@@ -442,7 +442,7 @@ class FileSourceSchema(BaseModel):
     """
 
 
-class Name47(Enum):
+class Name439(Enum):
     default = "default"
     atomsTooClose = "atomsTooClose"
     atomsOverlap = "atomsOverlap"
@@ -455,7 +455,7 @@ class Severity(Enum):
 
 
 class MaterialConsistencyCheckSchema(BaseModel):
-    name: Name47
+    name: Name439
     """
     Name of the consistency check that is performed, which is listed in an enum.
     """
@@ -531,14 +531,14 @@ class CrystalSchema(BaseModel):
 
 
 class CrystalLatticePlanesSchema(BaseModel):
-    crystal: CrystalSchema = Field(..., title="Crystal Schema")
-    """
-    A crystal structure, referencing the base material schema
-    """
     miller_indices: Optional[List[int]] = Field([0, 0, 1], max_length=3, min_length=3, title="Miller Indices Schema")
     """
     Miller indices [h, k, l] defining crystallographic planes
     """
+    crystal: CrystalSchema = Field(..., title="Crystal Schema")
+    """
+    A crystal structure, referencing the base material schema
+    """
     use_conventional_cell: Optional[bool] = True
     """
     Use the conventional cell for the crystal structure