mat3ra-esse 2025.7.1.post0__py3-none-any.whl → 2025.7.29.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 Value191(Enum):
     X = "X"
     Vac = "Vac"
 
 
 class AtomicElementSchema(BaseModel):
-    value: Union[Value, Value51]
+    value: Union[Value, Value191]
     """
     All elements, including extra elements
     """
@@ -285,30 +285,30 @@ class VolumeSchema(BaseModel):
     value: float
 
 
-class Name206(Enum):
+class Name766(Enum):
     density = "density"
 
 
-class Units99(Enum):
+class Units309(Enum):
     g_cm_3 = "g/cm^3"
 
 
 class DensitySchema(BaseModel):
     name: Literal["1#-datamodel-code-generator-#-object-#-special-#"]
-    units: Optional[Units99] = None
+    units: Optional[Units309] = None
     value: float
 
 
-class Units100(Enum):
+class Units310(Enum):
     angstrom = "angstrom"
 
 
 class ScalarSchema(BaseModel):
-    units: Optional[Units100] = None
+    units: Optional[Units310] = None
     value: float
 
 
-class Name207(Enum):
+class Name767(Enum):
     symmetry = "symmetry"
 
 
@@ -328,7 +328,7 @@ class SymmetrySchema(BaseModel):
     name: Literal["2#-datamodel-code-generator-#-object-#-special-#"]
 
 
-class Name208(Enum):
+class Name768(Enum):
     elemental_ratio = "elemental_ratio"
 
 
@@ -341,7 +341,7 @@ class ElementalRatio(BaseModel):
     """
 
 
-class Name209(Enum):
+class Name769(Enum):
     p_norm = "p-norm"
 
 
@@ -354,7 +354,7 @@ class PNorm(BaseModel):
     value: float
 
 
-class Name210(Enum):
+class Name770(Enum):
     inchi = "inchi"
 
 
@@ -363,7 +363,7 @@ class InChIRepresentationSchema(BaseModel):
     value: str
 
 
-class Name211(Enum):
+class Name771(Enum):
     inchi_key = "inchi_key"
 
 
@@ -442,7 +442,7 @@ class FileSourceSchema(BaseModel):
     """
 
 
-class Name212(Enum):
+class Name772(Enum):
     default = "default"
     atomsTooClose = "atomsTooClose"
     atomsOverlap = "atomsOverlap"
@@ -455,7 +455,7 @@ class Severity(Enum):
 
 
 class MaterialConsistencyCheckSchema(BaseModel):
-    name: Name212
+    name: Name772
     """
     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 Value197(Enum):
     X = "X"
     Vac = "Vac"
 
 
 class AtomicElementSchema(BaseModel):
-    value: Union[Value, Value53]
+    value: Union[Value, Value197]
     """
     All elements, including extra elements
     """
@@ -285,30 +285,30 @@ class VolumeSchema(BaseModel):
     value: float
 
 
-class Name215(Enum):
+class Name791(Enum):
     density = "density"
 
 
-class Units103(Enum):
+class Units319(Enum):
     g_cm_3 = "g/cm^3"
 
 
 class DensitySchema(BaseModel):
     name: Literal["1#-datamodel-code-generator-#-object-#-special-#"]
-    units: Optional[Units103] = None
+    units: Optional[Units319] = None
     value: float
 
 
-class Units104(Enum):
+class Units320(Enum):
     angstrom = "angstrom"
 
 
 class ScalarSchema(BaseModel):
-    units: Optional[Units104] = None
+    units: Optional[Units320] = None
     value: float
 
 
-class Name216(Enum):
+class Name792(Enum):
     symmetry = "symmetry"
 
 
@@ -328,7 +328,7 @@ class SymmetrySchema(BaseModel):
     name: Literal["2#-datamodel-code-generator-#-object-#-special-#"]
 
 
-class Name217(Enum):
+class Name793(Enum):
     elemental_ratio = "elemental_ratio"
 
 
@@ -341,7 +341,7 @@ class ElementalRatio(BaseModel):
     """
 
 
-class Name218(Enum):
+class Name794(Enum):
     p_norm = "p-norm"
 
 
@@ -354,7 +354,7 @@ class PNorm(BaseModel):
     value: float
 
 
-class Name219(Enum):
+class Name795(Enum):
     inchi = "inchi"
 
 
@@ -363,7 +363,7 @@ class InChIRepresentationSchema(BaseModel):
     value: str
 
 
-class Name220(Enum):
+class Name796(Enum):
     inchi_key = "inchi_key"
 
 
@@ -442,7 +442,7 @@ class FileSourceSchema(BaseModel):
     """
 
 
-class Name221(Enum):
+class Name797(Enum):
     default = "default"
     atomsTooClose = "atomsTooClose"
     atomsOverlap = "atomsOverlap"
@@ -455,7 +455,7 @@ class Severity(Enum):
 
 
 class MaterialConsistencyCheckSchema(BaseModel):
-    name: Name221
+    name: Name797
     """
     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 Value139(Enum):
     X = "X"
     Vac = "Vac"
 
 
 class AtomicElementSchema(BaseModel):
-    value: Union[Value, Value17]
+    value: Union[Value, Value139]
     """
     All elements, including extra elements
     """
@@ -285,30 +285,30 @@ class VolumeSchema(BaseModel):
     value: float
 
 
-class Name41(Enum):
+class Name529(Enum):
     density = "density"
 
 
-class Units22(Enum):
+class Units205(Enum):
     g_cm_3 = "g/cm^3"
 
 
 class DensitySchema(BaseModel):
     name: Literal["1#-datamodel-code-generator-#-object-#-special-#"]
-    units: Optional[Units22] = None
+    units: Optional[Units205] = None
     value: float
 
 
-class Units23(Enum):
+class Units206(Enum):
     angstrom = "angstrom"
 
 
 class ScalarSchema(BaseModel):
-    units: Optional[Units23] = None
+    units: Optional[Units206] = None
     value: float
 
 
-class Name42(Enum):
+class Name530(Enum):
     symmetry = "symmetry"
 
 
@@ -328,7 +328,7 @@ class SymmetrySchema(BaseModel):
     name: Literal["2#-datamodel-code-generator-#-object-#-special-#"]
 
 
-class Name43(Enum):
+class Name531(Enum):
     elemental_ratio = "elemental_ratio"
 
 
@@ -341,7 +341,7 @@ class ElementalRatio(BaseModel):
     """
 
 
-class Name44(Enum):
+class Name532(Enum):
     p_norm = "p-norm"
 
 
@@ -354,7 +354,7 @@ class PNorm(BaseModel):
     value: float
 
 
-class Name45(Enum):
+class Name533(Enum):
     inchi = "inchi"
 
 
@@ -363,7 +363,7 @@ class InChIRepresentationSchema(BaseModel):
     value: str
 
 
-class Name46(Enum):
+class Name534(Enum):
     inchi_key = "inchi_key"
 
 
@@ -442,7 +442,7 @@ class FileSourceSchema(BaseModel):
     """
 
 
-class Name47(Enum):
+class Name535(Enum):
     default = "default"
     atomsTooClose = "atomsTooClose"
     atomsOverlap = "atomsOverlap"
@@ -455,7 +455,7 @@ class Severity(Enum):
 
 
 class MaterialConsistencyCheckSchema(BaseModel):
-    name: Name47
+    name: Name535
     """
     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