mat3ra-esse 2025.5.17.post1__py3-none-any.whl → 2025.6.5.post0__py3-none-any.whl

mat3ra/esse/models/{materials_category/defects/by_host/two_dimensional/configuration.py → materials_category_components/entities/reusable/two_dimensional/crystal_lattice_planes.py}

@@ -1,5 +1,5 @@
 # generated by datamodel-codegen:
-#   filename:  materials_category/defects/by_host/two_dimensional/configuration.json
+#   filename:  materials_category_components/entities/reusable/two_dimensional/crystal_lattice_planes.json
 #   version:   0.28.5
 
 from __future__ import annotations
@@ -131,13 +131,13 @@ class Value(Enum):
     Og = "Og"
 
 
-class Value11(Enum):
+class Value17(Enum):
     X = "X"
     Vac = "Vac"
 
 
 class AtomicElementSchema(BaseModel):
-    value: Union[Value, Value11]
+    value: Union[Value, Value17]
     """
     All elements, including extra elements
     """
@@ -285,30 +285,30 @@ class VolumeSchema(BaseModel):
     value: float
 
 
-class Name16(Enum):
+class Name41(Enum):
     density = "density"
 
 
-class Units13(Enum):
+class Units22(Enum):
     g_cm_3 = "g/cm^3"
 
 
 class DensitySchema(BaseModel):
     name: Literal["1#-datamodel-code-generator-#-object-#-special-#"]
-    units: Optional[Units13] = None
+    units: Optional[Units22] = None
     value: float
 
 
-class Units14(Enum):
+class Units23(Enum):
     angstrom = "angstrom"
 
 
 class ScalarSchema(BaseModel):
-    units: Optional[Units14] = None
+    units: Optional[Units23] = None
     value: float
 
 
-class Name17(Enum):
+class Name42(Enum):
     symmetry = "symmetry"
 
 
@@ -328,7 +328,7 @@ class SymmetrySchema(BaseModel):
     name: Literal["2#-datamodel-code-generator-#-object-#-special-#"]
 
 
-class Name18(Enum):
+class Name43(Enum):
     elemental_ratio = "elemental_ratio"
 
 
@@ -341,7 +341,7 @@ class ElementalRatio(BaseModel):
     """
 
 
-class Name19(Enum):
+class Name44(Enum):
     p_norm = "p-norm"
 
 
@@ -354,7 +354,7 @@ class PNorm(BaseModel):
     value: float
 
 
-class Name20(Enum):
+class Name45(Enum):
     inchi = "inchi"
 
 
@@ -363,7 +363,7 @@ class InChIRepresentationSchema(BaseModel):
     value: str
 
 
-class Name21(Enum):
+class Name46(Enum):
     inchi_key = "inchi_key"
 
 
@@ -442,7 +442,7 @@ class FileSourceSchema(BaseModel):
     """
 
 
-class Name22(Enum):
+class Name47(Enum):
     default = "default"
     atomsTooClose = "atomsTooClose"
     atomsOverlap = "atomsOverlap"
@@ -455,7 +455,7 @@ class Severity(Enum):
 
 
 class MaterialConsistencyCheckSchema(BaseModel):
-    name: Name22
+    name: Name47
     """
     Name of the consistency check that is performed, which is listed in an enum.
     """
@@ -473,7 +473,7 @@ class MaterialConsistencyCheckSchema(BaseModel):
     """
 
 
-class MaterialSchema(BaseModel):
+class CrystalSchema(BaseModel):
     formula: Optional[str] = None
     """
     reduced chemical formula
@@ -530,21 +530,16 @@ class MaterialSchema(BaseModel):
     metadata: Optional[Dict[str, Any]] = None
 
 
-class TwoDimensionalDefectConfigurationSchema(BaseModel):
-    position_on_surface: List[float] = Field(..., max_length=2, min_length=2, title="coordinate 2d schema")
-    distance_z: confloat(ge=0.0)
+class CrystalLatticePlanesSchema(BaseModel):
+    crystal: CrystalSchema = Field(..., title="Crystal Schema")
     """
-    Distance from the surface in Angstroms
+    A crystal structure, referencing the base material schema
     """
-    host: Optional[MaterialSchema] = None
+    miller_indices: Optional[List[int]] = Field([0, 0, 1], max_length=3, min_length=3, title="Miller Indices Schema")
     """
-    The base host for the defect
+    Miller indices [h, k, l] defining crystallographic planes
     """
-    use_cartesian_coordinates: Optional[bool] = False
+    use_conventional_cell: Optional[bool] = True
     """
-    Whether to use Cartesian coordinates
-    """
-    isExternal: Optional[bool] = False
-    """
-    Whether the defect is external to the host material
+    Use the conventional cell for the crystal structure
     """