mat3ra-esse 2024.12.19.post1__py3-none-any.whl → 2025.4.3.post0__py3-none-any.whl

mat3ra/esse/models/__init__.py

@@ -1,3 +1,3 @@
 # generated by datamodel-codegen:
 #   filename:  schema
-#   version:   0.25.5
+#   version:   0.28.5

mat3ra/esse/models/core/__init__.py

@@ -1,3 +1,3 @@
 # generated by datamodel-codegen:
 #   filename:  schema
-#   version:   0.25.5
+#   version:   0.28.5

mat3ra/esse/models/core/abstract/_2d_data.py

@@ -0,0 +1,17 @@
+# generated by datamodel-codegen:
+#   filename:  core/abstract/2d_data.json
+#   version:   0.28.5
+
+from __future__ import annotations
+
+from typing import List, Union
+
+from pydantic import BaseModel, Field
+
+
+class Field2DimensionDataSchema(BaseModel):
+    xDataArray: List
+    """
+    array containing values of x Axis
+    """
+    yDataSeries: List[List[Union[float, str]]] = Field(..., title="1 dimension data series schema")

mat3ra/esse/models/core/abstract/_2d_plot.py

@@ -0,0 +1,34 @@
+# generated by datamodel-codegen:
+#   filename:  core/abstract/2d_plot.json
+#   version:   0.28.5
+
+from __future__ import annotations
+
+from typing import List, Optional, Union
+
+from pydantic import BaseModel, Field
+
+
+class AxisSchema(BaseModel):
+    label: str
+    """
+    label of an axis object
+    """
+    units: Optional[str] = None
+    """
+    units for an axis
+    """
+
+
+class Field2DimensionPlotSchema(BaseModel):
+    xAxis: AxisSchema = Field(..., title="axis schema")
+    yAxis: AxisSchema = Field(..., title="axis schema")
+    legend: Optional[List] = Field(None, min_length=1)
+    """
+    Legend of y Axis data series
+    """
+    xDataArray: List
+    """
+    array containing values of x Axis
+    """
+    yDataSeries: List[List[Union[float, str]]] = Field(..., title="1 dimension data series schema")

mat3ra/esse/models/core/abstract/_3d_grid.py

@@ -0,0 +1,14 @@
+# generated by datamodel-codegen:
+#   filename:  core/abstract/3d_grid.json
+#   version:   0.28.5
+
+from __future__ import annotations
+
+from typing import List
+
+from pydantic import BaseModel, Field
+
+
+class Field3DimensionalGridSchema(BaseModel):
+    dimensions: List[float] = Field(..., max_length=3, min_length=3, title="array of 3 number elements schema")
+    shifts: List[float] = Field(..., max_length=3, min_length=3, title="array of 3 number elements schema")

mat3ra/esse/models/core/abstract/_3d_tensor.py

@@ -0,0 +1,19 @@
+# generated by datamodel-codegen:
+#   filename:  core/abstract/3d_tensor.json
+#   version:   0.28.5
+
+from __future__ import annotations
+
+from typing import List
+
+from pydantic import Field, RootModel
+
+
+class ArrayOf3NumberElementsSchema(RootModel[List[float]]):
+    root: List[float] = Field(..., title="array of 3 number elements schema")
+
+
+class Field3DimensionalTensorSchema(RootModel[List[ArrayOf3NumberElementsSchema]]):
+    root: List[ArrayOf3NumberElementsSchema] = Field(
+        ..., max_length=3, min_length=3, title="3 dimensional tensor schema"
+    )

mat3ra/esse/models/core/abstract/_3d_vector_basis.py

@@ -0,0 +1,15 @@
+# generated by datamodel-codegen:
+#   filename:  core/abstract/3d_vector_basis.json
+#   version:   0.28.5
+
+from __future__ import annotations
+
+from typing import List
+
+from pydantic import BaseModel, Field
+
+
+class Field3DimensionalVectorBasis(BaseModel):
+    a: List[float] = Field(..., max_length=3, min_length=3, title="array of 3 number elements schema")
+    b: List[float] = Field(..., max_length=3, min_length=3, title="array of 3 number elements schema")
+    c: List[float] = Field(..., max_length=3, min_length=3, title="array of 3 number elements schema")

mat3ra/esse/models/core/abstract/__init__.py

@@ -1,3 +1,3 @@
 # generated by datamodel-codegen:
 #   filename:  schema
-#   version:   0.25.5
+#   version:   0.28.5

mat3ra/esse/models/core/abstract/point.py

@@ -1,6 +1,6 @@
 # generated by datamodel-codegen:
 #   filename:  core/abstract/point.json
-#   version:   0.25.5
+#   version:   0.28.5
 
 from __future__ import annotations
 

mat3ra/esse/models/core/abstract/vector.py

@@ -1,6 +1,6 @@
 # generated by datamodel-codegen:
 #   filename:  core/abstract/vector.json
-#   version:   0.25.5
+#   version:   0.28.5
 
 from __future__ import annotations
 

mat3ra/esse/models/core/primitive/_1d_data_series.py

@@ -0,0 +1,13 @@
+# generated by datamodel-codegen:
+#   filename:  core/primitive/1d_data_series.json
+#   version:   0.28.5
+
+from __future__ import annotations
+
+from typing import List, Union
+
+from pydantic import Field, RootModel
+
+
+class Field1DimensionDataSeriesSchema(RootModel[List[List[Union[float, str]]]]):
+    root: List[List[Union[float, str]]] = Field(..., title="1 dimension data series schema")

mat3ra/esse/models/core/primitive/_3d_lattice.py

@@ -0,0 +1,34 @@
+# generated by datamodel-codegen:
+#   filename:  core/primitive/3d_lattice.json
+#   version:   0.28.5
+
+from __future__ import annotations
+
+from pydantic import BaseModel
+
+
+class Field3DimensionalLatticeSchema(BaseModel):
+    a: float
+    """
+    length of the first lattice vector
+    """
+    b: float
+    """
+    length of the second lattice vector
+    """
+    c: float
+    """
+    length of the third lattice vector
+    """
+    alpha: float
+    """
+    angle between first and second lattice vector
+    """
+    beta: float
+    """
+    angle between second and third lattice vector
+    """
+    gamma: float
+    """
+    angle between first and third lattice vector
+    """

mat3ra/esse/models/core/primitive/__init__.py

@@ -1,3 +1,3 @@
 # generated by datamodel-codegen:
 #   filename:  schema
-#   version:   0.25.5
+#   version:   0.28.5

mat3ra/esse/models/core/primitive/array_of_3_booleans.py

@@ -1,6 +1,6 @@
 # generated by datamodel-codegen:
 #   filename:  core/primitive/array_of_3_booleans.json
-#   version:   0.25.5
+#   version:   0.28.5
 
 from __future__ import annotations
 

mat3ra/esse/models/core/primitive/array_of_3_numbers.py

@@ -1,6 +1,6 @@
 # generated by datamodel-codegen:
 #   filename:  core/primitive/array_of_3_numbers.json
-#   version:   0.25.5
+#   version:   0.28.5
 
 from __future__ import annotations
 

mat3ra/esse/models/core/primitive/array_of_ids.py

@@ -1,6 +1,6 @@
 # generated by datamodel-codegen:
 #   filename:  core/primitive/array_of_ids.json
-#   version:   0.25.5
+#   version:   0.28.5
 
 from __future__ import annotations
 

mat3ra/esse/models/core/primitive/array_of_strings.py

@@ -1,6 +1,6 @@
 # generated by datamodel-codegen:
 #   filename:  core/primitive/array_of_strings.json
-#   version:   0.25.5
+#   version:   0.28.5
 
 from __future__ import annotations
 

mat3ra/esse/models/core/primitive/axis.py

@@ -1,6 +1,6 @@
 # generated by datamodel-codegen:
 #   filename:  core/primitive/axis.json
-#   version:   0.25.5
+#   version:   0.28.5
 
 from __future__ import annotations
 

mat3ra/esse/models/core/primitive/group_info.py

@@ -1,6 +1,6 @@
 # generated by datamodel-codegen:
 #   filename:  core/primitive/group_info.json
-#   version:   0.25.5
+#   version:   0.28.5
 
 from __future__ import annotations
 

mat3ra/esse/models/core/primitive/integer_one_or_zero.py

@@ -1,6 +1,6 @@
 # generated by datamodel-codegen:
 #   filename:  core/primitive/integer_one_or_zero.json
-#   version:   0.25.5
+#   version:   0.28.5
 
 from __future__ import annotations
 

mat3ra/esse/models/core/primitive/integer_positive_single_digit.py

@@ -0,0 +1,11 @@
+# generated by datamodel-codegen:
+#   filename:  core/primitive/integer_positive_single_digit.json
+#   version:   0.28.5
+
+from __future__ import annotations
+
+from pydantic import Field, RootModel, conint
+
+
+class IntegerPositiveSingleDigit(RootModel[conint(ge=1, le=9)]):
+    root: conint(ge=1, le=9) = Field(..., title="integer positive single digit")

mat3ra/esse/models/core/primitive/linked_list/__init__.py

@@ -1,6 +1,6 @@
 # generated by datamodel-codegen:
 #   filename:  core/primitive/linked_list.json
-#   version:   0.25.5
+#   version:   0.28.5
 
 from __future__ import annotations
 

mat3ra/esse/models/core/primitive/linked_list/base_node.py

@@ -1,6 +1,6 @@
 # generated by datamodel-codegen:
 #   filename:  core/primitive/linked_list/base_node.json
-#   version:   0.25.5
+#   version:   0.28.5
 
 from __future__ import annotations
 

mat3ra/esse/models/core/primitive/linked_list/named_node.py

@@ -1,6 +1,6 @@
 # generated by datamodel-codegen:
 #   filename:  core/primitive/linked_list/named_node.json
-#   version:   0.25.5
+#   version:   0.28.5
 
 from __future__ import annotations
 

mat3ra/esse/models/core/primitive/linked_list/named_node_in_group.py

@@ -1,6 +1,6 @@
 # generated by datamodel-codegen:
 #   filename:  core/primitive/linked_list/named_node_in_group.json
-#   version:   0.25.5
+#   version:   0.28.5
 
 from __future__ import annotations
 

mat3ra/esse/models/core/primitive/linked_list/node_with_type.py

@@ -1,6 +1,6 @@
 # generated by datamodel-codegen:
 #   filename:  core/primitive/linked_list/node_with_type.json
-#   version:   0.25.5
+#   version:   0.28.5
 
 from __future__ import annotations
 

mat3ra/esse/models/core/primitive/scalar.py

@@ -1,6 +1,6 @@
 # generated by datamodel-codegen:
 #   filename:  core/primitive/scalar.json
-#   version:   0.25.5
+#   version:   0.28.5
 
 from __future__ import annotations
 

mat3ra/esse/models/core/primitive/slugified_entry.py

@@ -1,6 +1,6 @@
 # generated by datamodel-codegen:
 #   filename:  core/primitive/slugified_entry.json
-#   version:   0.25.5
+#   version:   0.28.5
 
 from __future__ import annotations
 

mat3ra/esse/models/core/primitive/slugified_entry_or_slug.py

@@ -1,6 +1,6 @@
 # generated by datamodel-codegen:
 #   filename:  core/primitive/slugified_entry_or_slug.json
-#   version:   0.25.5
+#   version:   0.28.5
 
 from __future__ import annotations
 

mat3ra/esse/models/core/primitive/string.py

@@ -1,6 +1,6 @@
 # generated by datamodel-codegen:
 #   filename:  core/primitive/string.json
-#   version:   0.25.5
+#   version:   0.28.5
 
 from __future__ import annotations
 

mat3ra/esse/models/core/reference/__init__.py

@@ -1,6 +1,6 @@
 # generated by datamodel-codegen:
 #   filename:  core/reference.json
-#   version:   0.25.5
+#   version:   0.28.5
 
 from __future__ import annotations
 
@@ -15,7 +15,7 @@ class Type(Enum):
 
 
 class EntityReferenceSchema(BaseModel):
-    field_id: Optional[str] = Field(None, alias="_id")
+    field_id: str = Field(..., alias="_id")
     """
     entity identity
     """

mat3ra/esse/models/core/reference/exabyte.py

@@ -1,6 +1,6 @@
 # generated by datamodel-codegen:
 #   filename:  core/reference/exabyte.json
-#   version:   0.25.5
+#   version:   0.28.5
 
 from __future__ import annotations
 

mat3ra/esse/models/core/reference/experiment/__init__.py

@@ -1,6 +1,6 @@
 # generated by datamodel-codegen:
 #   filename:  core/reference/experiment.json
-#   version:   0.25.5
+#   version:   0.28.5
 
 from __future__ import annotations
 

mat3ra/esse/models/core/reference/experiment/condition.py

@@ -1,6 +1,6 @@
 # generated by datamodel-codegen:
 #   filename:  core/reference/experiment/condition.json
-#   version:   0.25.5
+#   version:   0.28.5
 
 from __future__ import annotations
 

mat3ra/esse/models/core/reference/experiment/location.py

@@ -1,6 +1,6 @@
 # generated by datamodel-codegen:
 #   filename:  core/reference/experiment/location.json
-#   version:   0.25.5
+#   version:   0.28.5
 
 from __future__ import annotations
 

mat3ra/esse/models/core/reference/literature/__init__.py

@@ -1,6 +1,6 @@
 # generated by datamodel-codegen:
 #   filename:  core/reference/literature.json
-#   version:   0.25.5
+#   version:   0.28.5
 
 from __future__ import annotations
 

mat3ra/esse/models/core/reference/literature/name.py

@@ -1,6 +1,6 @@
 # generated by datamodel-codegen:
 #   filename:  core/reference/literature/name.json
-#   version:   0.25.5
+#   version:   0.28.5
 
 from __future__ import annotations
 

mat3ra/esse/models/core/reference/literature/pages.py

@@ -1,6 +1,6 @@
 # generated by datamodel-codegen:
 #   filename:  core/reference/literature/pages.json
-#   version:   0.25.5
+#   version:   0.28.5
 
 from __future__ import annotations
 

mat3ra/esse/models/core/reference/modeling/__init__.py

@@ -1,6 +1,6 @@
 # generated by datamodel-codegen:
 #   filename:  core/reference/modeling.json
-#   version:   0.25.5
+#   version:   0.28.5
 
 from __future__ import annotations
 
@@ -15,7 +15,7 @@ class Type(Enum):
 
 
 class EntityReferenceSchema(BaseModel):
-    field_id: Optional[str] = Field(None, alias="_id")
+    field_id: str = Field(..., alias="_id")
     """
     entity identity
     """

mat3ra/esse/models/core/reference/modeling/exabyte.py

@@ -1,6 +1,6 @@
 # generated by datamodel-codegen:
 #   filename:  core/reference/modeling/exabyte.json
-#   version:   0.25.5
+#   version:   0.28.5
 
 from __future__ import annotations
 
@@ -15,7 +15,7 @@ class Type(Enum):
 
 
 class EntityReferenceSchema(BaseModel):
-    field_id: Optional[str] = Field(None, alias="_id")
+    field_id: str = Field(..., alias="_id")
     """
     entity identity
     """

mat3ra/esse/models/core/reusable/__init__.py

@@ -1,3 +1,3 @@
 # generated by datamodel-codegen:
 #   filename:  schema
-#   version:   0.25.5
+#   version:   0.28.5

mat3ra/esse/models/core/reusable/atomic_data/__init__.py

@@ -1,3 +1,3 @@
 # generated by datamodel-codegen:
 #   filename:  schema
-#   version:   0.25.5
+#   version:   0.28.5

mat3ra/esse/models/core/reusable/atomic_data/per_orbital.py

@@ -1,6 +1,6 @@
 # generated by datamodel-codegen:
 #   filename:  core/reusable/atomic_data/per_orbital.json
-#   version:   0.25.5
+#   version:   0.28.5
 
 from __future__ import annotations
 

mat3ra/esse/models/core/reusable/atomic_data/per_orbital_pair.py

@@ -1,6 +1,6 @@
 # generated by datamodel-codegen:
 #   filename:  core/reusable/atomic_data/per_orbital_pair.json
-#   version:   0.25.5
+#   version:   0.28.5
 
 from __future__ import annotations
 

mat3ra/esse/models/core/reusable/atomic_data/value_number.py

@@ -1,6 +1,6 @@
 # generated by datamodel-codegen:
 #   filename:  core/reusable/atomic_data/value_number.json
-#   version:   0.25.5
+#   version:   0.28.5
 
 from __future__ import annotations
 

mat3ra/esse/models/core/reusable/atomic_data/value_string.py

@@ -1,6 +1,6 @@
 # generated by datamodel-codegen:
 #   filename:  core/reusable/atomic_data/value_string.json
-#   version:   0.25.5
+#   version:   0.28.5
 
 from __future__ import annotations
 

mat3ra/esse/models/core/reusable/atomic_data_per_orbital_numeric.py

@@ -1,6 +1,6 @@
 # generated by datamodel-codegen:
 #   filename:  core/reusable/atomic_data_per_orbital_numeric.json
-#   version:   0.25.5
+#   version:   0.28.5
 
 from __future__ import annotations
 

mat3ra/esse/models/core/reusable/atomic_data_per_orbital_pair_numeric.py

@@ -1,6 +1,6 @@
 # generated by datamodel-codegen:
 #   filename:  core/reusable/atomic_data_per_orbital_pair_numeric.json
-#   version:   0.25.5
+#   version:   0.28.5
 
 from __future__ import annotations
 

mat3ra/esse/models/core/reusable/atomic_orbital.py

@@ -1,6 +1,6 @@
 # generated by datamodel-codegen:
 #   filename:  core/reusable/atomic_orbital.json
-#   version:   0.25.5
+#   version:   0.28.5
 
 from __future__ import annotations
 

mat3ra/esse/models/core/reusable/atomic_scalars.py

@@ -1,6 +1,6 @@
 # generated by datamodel-codegen:
 #   filename:  core/reusable/atomic_scalars.json
-#   version:   0.25.5
+#   version:   0.28.5
 
 from __future__ import annotations
 

mat3ra/esse/models/core/reusable/atomic_strings.py

@@ -1,6 +1,6 @@
 # generated by datamodel-codegen:
 #   filename:  core/reusable/atomic_strings.json
-#   version:   0.25.5
+#   version:   0.28.5
 
 from __future__ import annotations
 

mat3ra/esse/models/core/reusable/atomic_vectors.py

@@ -1,6 +1,6 @@
 # generated by datamodel-codegen:
 #   filename:  core/reusable/atomic_vectors.json
-#   version:   0.25.5
+#   version:   0.28.5
 
 from __future__ import annotations
 

mat3ra/esse/models/core/reusable/band_gap.py

@@ -1,6 +1,6 @@
 # generated by datamodel-codegen:
 #   filename:  core/reusable/band_gap.json
-#   version:   0.25.5
+#   version:   0.28.5
 
 from __future__ import annotations
 

mat3ra/esse/models/core/reusable/categories.py

@@ -1,6 +1,6 @@
 # generated by datamodel-codegen:
 #   filename:  core/reusable/categories.json
-#   version:   0.25.5
+#   version:   0.28.5
 
 from __future__ import annotations
 

mat3ra/esse/models/core/reusable/category_path.py

@@ -1,6 +1,6 @@
 # generated by datamodel-codegen:
 #   filename:  core/reusable/category_path.json
-#   version:   0.25.5
+#   version:   0.28.5
 
 from __future__ import annotations
 

mat3ra/esse/models/core/reusable/dielectric_tensor_component.py

@@ -1,6 +1,6 @@
 # generated by datamodel-codegen:
 #   filename:  core/reusable/dielectric_tensor_component.json
-#   version:   0.25.5
+#   version:   0.28.5
 
 from __future__ import annotations
 

mat3ra/esse/models/core/reusable/energy.py

@@ -1,6 +1,6 @@
 # generated by datamodel-codegen:
 #   filename:  core/reusable/energy.json
-#   version:   0.25.5
+#   version:   0.28.5
 
 from __future__ import annotations
 
@@ -20,11 +20,11 @@ class Units(Enum):
     eV_atom = "eV/atom"
 
 
-class Units22(Enum):
+class Units23(Enum):
     eV_A_2 = "eV/A^2"
 
 
 class EnergySchema(BaseModel):
     name: str
-    units: Union[Units, Units22]
+    units: Union[Units, Units23]
     value: float

mat3ra/esse/models/core/reusable/file_metadata.py

@@ -1,6 +1,6 @@
 # generated by datamodel-codegen:
 #   filename:  core/reusable/file_metadata.json
-#   version:   0.25.5
+#   version:   0.28.5
 
 from __future__ import annotations