mat3ra-esse 2025.8.8.post0__py3-none-any.whl → 2025.8.9.post0__py3-none-any.whl
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- mat3ra/esse/data/examples.py +1 -1
- mat3ra/esse/data/schemas.py +1 -1
- mat3ra/esse/models/core/reusable/coordinate_conditions/__init__.py +54 -5
- mat3ra/esse/models/core/reusable/coordinate_conditions/box.py +1 -1
- mat3ra/esse/models/core/reusable/coordinate_conditions/cylinder.py +25 -0
- mat3ra/esse/models/core/reusable/coordinate_conditions/plane.py +24 -0
- mat3ra/esse/models/core/reusable/coordinate_conditions/sphere.py +23 -0
- mat3ra/esse/models/core/reusable/coordinate_conditions/triangular_prism.py +33 -0
- mat3ra/esse/models/materials_category/defective_structures/two_dimensional/island/configuration.py +41 -2
- mat3ra/esse/models/materials_category/defective_structures/two_dimensional/terrace/configuration.py +41 -2
- mat3ra/esse/models/materials_category_components/entities/auxiliary/zero_dimensional/void_region.py +41 -2
- mat3ra/esse/models/materials_category_components/entities/core/three_dimensional/void.py +43 -4
- {mat3ra_esse-2025.8.8.post0.dist-info → mat3ra_esse-2025.8.9.post0.dist-info}/METADATA +1 -1
- {mat3ra_esse-2025.8.8.post0.dist-info → mat3ra_esse-2025.8.9.post0.dist-info}/RECORD +17 -13
- {mat3ra_esse-2025.8.8.post0.dist-info → mat3ra_esse-2025.8.9.post0.dist-info}/WHEEL +0 -0
- {mat3ra_esse-2025.8.8.post0.dist-info → mat3ra_esse-2025.8.9.post0.dist-info}/licenses/LICENSE.md +0 -0
- {mat3ra_esse-2025.8.8.post0.dist-info → mat3ra_esse-2025.8.9.post0.dist-info}/top_level.txt +0 -0
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from __future__ import annotations
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from enum import Enum
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from typing import List, Literal
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from typing import List, Literal, Union
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from pydantic import BaseModel, Field, RootModel
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from pydantic import BaseModel, Field, RootModel, confloat
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class CoordinateShapeEnum(Enum):
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class BoxCoordinateConditionSchema(BaseModel):
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shape: Literal["box"] = Field(
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shape: Literal["box"] = Field("box", title="Coordinate Shape Enum")
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min_coordinate: List[float] = Field(..., max_length=3, min_length=3, title="coordinate 3d schema")
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max_coordinate: List[float] = Field(..., max_length=3, min_length=3, title="coordinate 3d schema")
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class
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class SphereCoordinateConditionSchema(BaseModel):
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shape: Literal["sphere"] = Field("sphere", title="Coordinate Shape Enum")
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radius: confloat(ge=0.0)
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class CylinderCoordinateConditionSchema(BaseModel):
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shape: Literal["cylinder"] = Field("cylinder", title="Coordinate Shape Enum")
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radius: confloat(ge=0.0)
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min_z: float
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max_z: float
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class TriangularPrismCoordinateConditionSchema(BaseModel):
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shape: Literal["triangular_prism"] = Field("triangular_prism", title="Coordinate Shape Enum")
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position_on_surface_1: List[float] = Field(
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..., max_length=2, min_length=2, title="array of 2 number elements schema"
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)
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position_on_surface_2: List[float] = Field(
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..., max_length=2, min_length=2, title="array of 2 number elements schema"
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)
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position_on_surface_3: List[float] = Field(
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..., max_length=2, min_length=2, title="array of 2 number elements schema"
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)
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min_z: float
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max_z: float
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class PlaneCoordinateConditionSchema(BaseModel):
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shape: Literal["plane"] = Field("plane", title="Coordinate Shape Enum")
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plane_normal: List[float] = Field(..., max_length=3, min_length=3, title="coordinate 3d schema")
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plane_point_coordinate: List[float] = Field(..., max_length=3, min_length=3, title="coordinate 3d schema")
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class ESSE(
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RootModel[
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Union[
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BoxCoordinateConditionSchema,
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SphereCoordinateConditionSchema,
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CylinderCoordinateConditionSchema,
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TriangularPrismCoordinateConditionSchema,
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PlaneCoordinateConditionSchema,
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]
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]
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):
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root: Union[
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BoxCoordinateConditionSchema,
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SphereCoordinateConditionSchema,
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CylinderCoordinateConditionSchema,
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TriangularPrismCoordinateConditionSchema,
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PlaneCoordinateConditionSchema,
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] = Field(..., title="Coordinate Conditions Schema")
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"""
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Combined schema for all coordinate condition types
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"""
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class BoxCoordinateConditionSchema(BaseModel):
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shape: Literal["box"] = Field(
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shape: Literal["box"] = Field("box", title="Coordinate Shape Enum")
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min_coordinate: List[float] = Field(..., max_length=3, min_length=3, title="coordinate 3d schema")
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max_coordinate: List[float] = Field(..., max_length=3, min_length=3, title="coordinate 3d schema")
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# generated by datamodel-codegen:
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# filename: core/reusable/coordinate_conditions/cylinder.json
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# version: 0.28.5
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from __future__ import annotations
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from enum import Enum
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from typing import Literal
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from pydantic import BaseModel, Field, confloat
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class CoordinateShapeEnum(Enum):
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cylinder = "cylinder"
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sphere = "sphere"
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box = "box"
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triangular_prism = "triangular_prism"
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plane = "plane"
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class CylinderCoordinateConditionSchema(BaseModel):
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shape: Literal["cylinder"] = Field("cylinder", title="Coordinate Shape Enum")
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radius: confloat(ge=0.0)
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min_z: float
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max_z: float
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# generated by datamodel-codegen:
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# filename: core/reusable/coordinate_conditions/plane.json
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# version: 0.28.5
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from __future__ import annotations
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from enum import Enum
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from typing import List, Literal
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from pydantic import BaseModel, Field
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class CoordinateShapeEnum(Enum):
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cylinder = "cylinder"
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sphere = "sphere"
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box = "box"
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triangular_prism = "triangular_prism"
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plane = "plane"
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class PlaneCoordinateConditionSchema(BaseModel):
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shape: Literal["plane"] = Field("plane", title="Coordinate Shape Enum")
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plane_normal: List[float] = Field(..., max_length=3, min_length=3, title="coordinate 3d schema")
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plane_point_coordinate: List[float] = Field(..., max_length=3, min_length=3, title="coordinate 3d schema")
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# generated by datamodel-codegen:
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# filename: core/reusable/coordinate_conditions/sphere.json
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# version: 0.28.5
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from __future__ import annotations
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from enum import Enum
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from typing import Literal
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from pydantic import BaseModel, Field, confloat
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class CoordinateShapeEnum(Enum):
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cylinder = "cylinder"
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sphere = "sphere"
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box = "box"
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triangular_prism = "triangular_prism"
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plane = "plane"
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class SphereCoordinateConditionSchema(BaseModel):
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shape: Literal["sphere"] = Field("sphere", title="Coordinate Shape Enum")
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radius: confloat(ge=0.0)
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# generated by datamodel-codegen:
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# filename: core/reusable/coordinate_conditions/triangular_prism.json
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# version: 0.28.5
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from __future__ import annotations
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from enum import Enum
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from typing import List, Literal
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from pydantic import BaseModel, Field
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class CoordinateShapeEnum(Enum):
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cylinder = "cylinder"
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sphere = "sphere"
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box = "box"
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triangular_prism = "triangular_prism"
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plane = "plane"
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class TriangularPrismCoordinateConditionSchema(BaseModel):
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shape: Literal["triangular_prism"] = Field("triangular_prism", title="Coordinate Shape Enum")
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position_on_surface_1: List[float] = Field(
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..., max_length=2, min_length=2, title="array of 2 number elements schema"
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)
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position_on_surface_2: List[float] = Field(
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..., max_length=2, min_length=2, title="array of 2 number elements schema"
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)
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position_on_surface_3: List[float] = Field(
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..., max_length=2, min_length=2, title="array of 2 number elements schema"
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min_z: float
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max_z: float
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mat3ra/esse/models/materials_category/defective_structures/two_dimensional/island/configuration.py
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class BoxCoordinateConditionSchema(BaseModel):
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shape: Literal["box"] = Field(
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shape: Literal["box"] = Field("box", title="Coordinate Shape Enum")
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min_coordinate: List[float] = Field(..., max_length=3, min_length=3, title="coordinate 3d schema")
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max_coordinate: List[float] = Field(..., max_length=3, min_length=3, title="coordinate 3d schema")
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class SphereCoordinateConditionSchema(BaseModel):
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shape: Literal["sphere"] = Field("sphere", title="Coordinate Shape Enum")
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radius: confloat(ge=0.0)
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class CylinderCoordinateConditionSchema(BaseModel):
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shape: Literal["cylinder"] = Field("cylinder", title="Coordinate Shape Enum")
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radius: confloat(ge=0.0)
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min_z: float
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max_z: float
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class TriangularPrismCoordinateConditionSchema(BaseModel):
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shape: Literal["triangular_prism"] = Field("triangular_prism", title="Coordinate Shape Enum")
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position_on_surface_1: List[float] = Field(
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..., max_length=2, min_length=2, title="array of 2 number elements schema"
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position_on_surface_2: List[float] = Field(
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..., max_length=2, min_length=2, title="array of 2 number elements schema"
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position_on_surface_3: List[float] = Field(
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..., max_length=2, min_length=2, title="array of 2 number elements schema"
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min_z: float
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class PlaneCoordinateConditionSchema(BaseModel):
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shape: Literal["plane"] = Field("plane", title="Coordinate Shape Enum")
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plane_normal: List[float] = Field(..., max_length=3, min_length=3, title="coordinate 3d schema")
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plane_point_coordinate: List[float] = Field(..., max_length=3, min_length=3, title="coordinate 3d schema")
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class VoidRegionSchema(BaseModel):
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crystal: CrystalSchema27 = Field(..., title="Crystal Schema")
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"""
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A crystal structure, referencing the base material schema
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"""
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coordinate_condition:
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coordinate_condition: Union[
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BoxCoordinateConditionSchema,
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SphereCoordinateConditionSchema,
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CylinderCoordinateConditionSchema,
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TriangularPrismCoordinateConditionSchema,
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PlaneCoordinateConditionSchema,
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] = Field(..., title="Coordinate Conditions Schema")
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"""
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Combined schema for all coordinate condition types
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"""
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mat3ra/esse/models/materials_category/defective_structures/two_dimensional/terrace/configuration.py
CHANGED
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class BoxCoordinateConditionSchema(BaseModel):
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shape: Literal["box"] = Field(
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shape: Literal["box"] = Field("box", title="Coordinate Shape Enum")
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min_coordinate: List[float] = Field(..., max_length=3, min_length=3, title="coordinate 3d schema")
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max_coordinate: List[float] = Field(..., max_length=3, min_length=3, title="coordinate 3d schema")
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class SphereCoordinateConditionSchema(BaseModel):
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shape: Literal["sphere"] = Field("sphere", title="Coordinate Shape Enum")
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radius: confloat(ge=0.0)
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class CylinderCoordinateConditionSchema(BaseModel):
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shape: Literal["cylinder"] = Field("cylinder", title="Coordinate Shape Enum")
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radius: confloat(ge=0.0)
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min_z: float
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max_z: float
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class TriangularPrismCoordinateConditionSchema(BaseModel):
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shape: Literal["triangular_prism"] = Field("triangular_prism", title="Coordinate Shape Enum")
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position_on_surface_1: List[float] = Field(
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..., max_length=2, min_length=2, title="array of 2 number elements schema"
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)
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position_on_surface_2: List[float] = Field(
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..., max_length=2, min_length=2, title="array of 2 number elements schema"
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position_on_surface_3: List[float] = Field(
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..., max_length=2, min_length=2, title="array of 2 number elements schema"
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)
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min_z: float
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+
max_z: float
|
|
2476
|
+
|
|
2477
|
+
|
|
2478
|
+
class PlaneCoordinateConditionSchema(BaseModel):
|
|
2479
|
+
shape: Literal["plane"] = Field("plane", title="Coordinate Shape Enum")
|
|
2480
|
+
plane_normal: List[float] = Field(..., max_length=3, min_length=3, title="coordinate 3d schema")
|
|
2481
|
+
plane_point_coordinate: List[float] = Field(..., max_length=3, min_length=3, title="coordinate 3d schema")
|
|
2482
|
+
|
|
2483
|
+
|
|
2451
2484
|
class VoidRegionSchema(BaseModel):
|
|
2452
2485
|
crystal: CrystalSchema17 = Field(..., title="Crystal Schema")
|
|
2453
2486
|
"""
|
|
2454
2487
|
A crystal structure, referencing the base material schema
|
|
2455
2488
|
"""
|
|
2456
|
-
coordinate_condition:
|
|
2489
|
+
coordinate_condition: Union[
|
|
2490
|
+
BoxCoordinateConditionSchema,
|
|
2491
|
+
SphereCoordinateConditionSchema,
|
|
2492
|
+
CylinderCoordinateConditionSchema,
|
|
2493
|
+
TriangularPrismCoordinateConditionSchema,
|
|
2494
|
+
PlaneCoordinateConditionSchema,
|
|
2495
|
+
] = Field(..., title="Coordinate Conditions Schema")
|
|
2457
2496
|
"""
|
|
2458
2497
|
Combined schema for all coordinate condition types
|
|
2459
2498
|
"""
|
mat3ra/esse/models/materials_category_components/entities/auxiliary/zero_dimensional/void_region.py
CHANGED
|
@@ -539,17 +539,56 @@ class CoordinateShapeEnum(Enum):
|
|
|
539
539
|
|
|
540
540
|
|
|
541
541
|
class BoxCoordinateConditionSchema(BaseModel):
|
|
542
|
-
shape: Literal["box"] = Field(
|
|
542
|
+
shape: Literal["box"] = Field("box", title="Coordinate Shape Enum")
|
|
543
543
|
min_coordinate: List[float] = Field(..., max_length=3, min_length=3, title="coordinate 3d schema")
|
|
544
544
|
max_coordinate: List[float] = Field(..., max_length=3, min_length=3, title="coordinate 3d schema")
|
|
545
545
|
|
|
546
546
|
|
|
547
|
+
class SphereCoordinateConditionSchema(BaseModel):
|
|
548
|
+
shape: Literal["sphere"] = Field("sphere", title="Coordinate Shape Enum")
|
|
549
|
+
radius: confloat(ge=0.0)
|
|
550
|
+
|
|
551
|
+
|
|
552
|
+
class CylinderCoordinateConditionSchema(BaseModel):
|
|
553
|
+
shape: Literal["cylinder"] = Field("cylinder", title="Coordinate Shape Enum")
|
|
554
|
+
radius: confloat(ge=0.0)
|
|
555
|
+
min_z: float
|
|
556
|
+
max_z: float
|
|
557
|
+
|
|
558
|
+
|
|
559
|
+
class TriangularPrismCoordinateConditionSchema(BaseModel):
|
|
560
|
+
shape: Literal["triangular_prism"] = Field("triangular_prism", title="Coordinate Shape Enum")
|
|
561
|
+
position_on_surface_1: List[float] = Field(
|
|
562
|
+
..., max_length=2, min_length=2, title="array of 2 number elements schema"
|
|
563
|
+
)
|
|
564
|
+
position_on_surface_2: List[float] = Field(
|
|
565
|
+
..., max_length=2, min_length=2, title="array of 2 number elements schema"
|
|
566
|
+
)
|
|
567
|
+
position_on_surface_3: List[float] = Field(
|
|
568
|
+
..., max_length=2, min_length=2, title="array of 2 number elements schema"
|
|
569
|
+
)
|
|
570
|
+
min_z: float
|
|
571
|
+
max_z: float
|
|
572
|
+
|
|
573
|
+
|
|
574
|
+
class PlaneCoordinateConditionSchema(BaseModel):
|
|
575
|
+
shape: Literal["plane"] = Field("plane", title="Coordinate Shape Enum")
|
|
576
|
+
plane_normal: List[float] = Field(..., max_length=3, min_length=3, title="coordinate 3d schema")
|
|
577
|
+
plane_point_coordinate: List[float] = Field(..., max_length=3, min_length=3, title="coordinate 3d schema")
|
|
578
|
+
|
|
579
|
+
|
|
547
580
|
class VoidRegionSchema(BaseModel):
|
|
548
581
|
crystal: CrystalSchema = Field(..., title="Crystal Schema")
|
|
549
582
|
"""
|
|
550
583
|
A crystal structure, referencing the base material schema
|
|
551
584
|
"""
|
|
552
|
-
coordinate_condition:
|
|
585
|
+
coordinate_condition: Union[
|
|
586
|
+
BoxCoordinateConditionSchema,
|
|
587
|
+
SphereCoordinateConditionSchema,
|
|
588
|
+
CylinderCoordinateConditionSchema,
|
|
589
|
+
TriangularPrismCoordinateConditionSchema,
|
|
590
|
+
PlaneCoordinateConditionSchema,
|
|
591
|
+
] = Field(..., title="Coordinate Conditions Schema")
|
|
553
592
|
"""
|
|
554
593
|
Combined schema for all coordinate condition types
|
|
555
594
|
"""
|
|
@@ -5,9 +5,9 @@
|
|
|
5
5
|
from __future__ import annotations
|
|
6
6
|
|
|
7
7
|
from enum import Enum
|
|
8
|
-
from typing import List, Literal
|
|
8
|
+
from typing import List, Literal, Union
|
|
9
9
|
|
|
10
|
-
from pydantic import BaseModel, Field
|
|
10
|
+
from pydantic import BaseModel, Field, confloat
|
|
11
11
|
|
|
12
12
|
|
|
13
13
|
class CoordinateShapeEnum(Enum):
|
|
@@ -19,14 +19,53 @@ class CoordinateShapeEnum(Enum):
|
|
|
19
19
|
|
|
20
20
|
|
|
21
21
|
class BoxCoordinateConditionSchema(BaseModel):
|
|
22
|
-
shape: Literal["box"] = Field(
|
|
22
|
+
shape: Literal["box"] = Field("box", title="Coordinate Shape Enum")
|
|
23
23
|
min_coordinate: List[float] = Field(..., max_length=3, min_length=3, title="coordinate 3d schema")
|
|
24
24
|
max_coordinate: List[float] = Field(..., max_length=3, min_length=3, title="coordinate 3d schema")
|
|
25
25
|
|
|
26
26
|
|
|
27
|
+
class SphereCoordinateConditionSchema(BaseModel):
|
|
28
|
+
shape: Literal["sphere"] = Field("sphere", title="Coordinate Shape Enum")
|
|
29
|
+
radius: confloat(ge=0.0)
|
|
30
|
+
|
|
31
|
+
|
|
32
|
+
class CylinderCoordinateConditionSchema(BaseModel):
|
|
33
|
+
shape: Literal["cylinder"] = Field("cylinder", title="Coordinate Shape Enum")
|
|
34
|
+
radius: confloat(ge=0.0)
|
|
35
|
+
min_z: float
|
|
36
|
+
max_z: float
|
|
37
|
+
|
|
38
|
+
|
|
39
|
+
class TriangularPrismCoordinateConditionSchema(BaseModel):
|
|
40
|
+
shape: Literal["triangular_prism"] = Field("triangular_prism", title="Coordinate Shape Enum")
|
|
41
|
+
position_on_surface_1: List[float] = Field(
|
|
42
|
+
..., max_length=2, min_length=2, title="array of 2 number elements schema"
|
|
43
|
+
)
|
|
44
|
+
position_on_surface_2: List[float] = Field(
|
|
45
|
+
..., max_length=2, min_length=2, title="array of 2 number elements schema"
|
|
46
|
+
)
|
|
47
|
+
position_on_surface_3: List[float] = Field(
|
|
48
|
+
..., max_length=2, min_length=2, title="array of 2 number elements schema"
|
|
49
|
+
)
|
|
50
|
+
min_z: float
|
|
51
|
+
max_z: float
|
|
52
|
+
|
|
53
|
+
|
|
54
|
+
class PlaneCoordinateConditionSchema(BaseModel):
|
|
55
|
+
shape: Literal["plane"] = Field("plane", title="Coordinate Shape Enum")
|
|
56
|
+
plane_normal: List[float] = Field(..., max_length=3, min_length=3, title="coordinate 3d schema")
|
|
57
|
+
plane_point_coordinate: List[float] = Field(..., max_length=3, min_length=3, title="coordinate 3d schema")
|
|
58
|
+
|
|
59
|
+
|
|
27
60
|
class VoidSchema(BaseModel):
|
|
28
61
|
center_coordinate: List[float] = Field(..., max_length=3, min_length=3, title="coordinate 3d schema")
|
|
29
|
-
shape:
|
|
62
|
+
shape: Union[
|
|
63
|
+
BoxCoordinateConditionSchema,
|
|
64
|
+
SphereCoordinateConditionSchema,
|
|
65
|
+
CylinderCoordinateConditionSchema,
|
|
66
|
+
TriangularPrismCoordinateConditionSchema,
|
|
67
|
+
PlaneCoordinateConditionSchema,
|
|
68
|
+
] = Field(..., title="Coordinate Conditions Schema")
|
|
30
69
|
"""
|
|
31
70
|
Combined schema for all coordinate condition types
|
|
32
71
|
"""
|
|
@@ -2,9 +2,9 @@ mat3ra/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
|
|
|
2
2
|
mat3ra/esse/__init__.py,sha256=nN0dOkxbOK6sWOTNr8aBGi9bQsI9sy6B2nn0UP29-sI,1244
|
|
3
3
|
mat3ra/esse/utils.py,sha256=-FexdtkOYGEWmwJUwWDuJferibc7M1YzUH738Bffuxo,1727
|
|
4
4
|
mat3ra/esse/data/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
|
|
5
|
-
mat3ra/esse/data/examples.py,sha256=
|
|
5
|
+
mat3ra/esse/data/examples.py,sha256=4RnMfttGXa_mRh7w5KHZS8RDpI2dIXPSGdQyWPLnbrY,145664
|
|
6
6
|
mat3ra/esse/data/properties.py,sha256=geWFIVIJbdn2Q_JG3Mz36oQ_dXeZZwnmlS_NgszvHUY,6099
|
|
7
|
-
mat3ra/esse/data/schemas.py,sha256=
|
|
7
|
+
mat3ra/esse/data/schemas.py,sha256=Ik2Um9fo4eXPbOZXwHevcqUV3dFh2DXPRaXYzwHS-ps,3191685
|
|
8
8
|
mat3ra/esse/models/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
|
|
9
9
|
mat3ra/esse/models/element.py,sha256=xuuFQRP6wE4SFXggipRsAexGPo10DorQqoWUG_pUnPA,2950
|
|
10
10
|
mat3ra/esse/models/project.py,sha256=fqUckRBLyCzVc_77-EtQUg_zFDV_zTYfnLmOoE77zPE,1148
|
|
@@ -94,10 +94,14 @@ mat3ra/esse/models/core/reusable/atomic_data/per_orbital.py,sha256=pd3oG1FfLevoA
|
|
|
94
94
|
mat3ra/esse/models/core/reusable/atomic_data/per_orbital_pair.py,sha256=gLJkxLpRfNAixmVV1LCz-UHp-C55iq7SM7QJQnFSLWM,919
|
|
95
95
|
mat3ra/esse/models/core/reusable/atomic_data/value_number.py,sha256=nEF8VBqob3JNGFogaJsaHWOchl_lGyh9MHDbFLF4h78,376
|
|
96
96
|
mat3ra/esse/models/core/reusable/atomic_data/value_string.py,sha256=vwk-4oyLWQB7Qbw5dpUt79oaojZsJVlbZvPfp-3JH7U,348
|
|
97
|
-
mat3ra/esse/models/core/reusable/coordinate_conditions/__init__.py,sha256=
|
|
97
|
+
mat3ra/esse/models/core/reusable/coordinate_conditions/__init__.py,sha256=PbSAyxw3bkHm7ozSAApXVjQVwfKqxDskdP-l5tRFjr8,2712
|
|
98
98
|
mat3ra/esse/models/core/reusable/coordinate_conditions/base.py,sha256=L7zYSATgDrli55qZhAutLnzOUXCp1PqTxL8-0XRO940,497
|
|
99
|
-
mat3ra/esse/models/core/reusable/coordinate_conditions/box.py,sha256=
|
|
99
|
+
mat3ra/esse/models/core/reusable/coordinate_conditions/box.py,sha256=eOjqGLjZD1EoVmBkh-s8-5aTFX4E7Se3thmOq4RjruE,735
|
|
100
|
+
mat3ra/esse/models/core/reusable/coordinate_conditions/cylinder.py,sha256=t3OfPcQoQPTdrP03GeCPXcrk9AmvCfVK3AHw7L8gzoU,616
|
|
100
101
|
mat3ra/esse/models/core/reusable/coordinate_conditions/enum.py,sha256=qlOpxIW7i5SowG5-rLSz6DAqIOlIIvPrQyqYMGoZmCQ,337
|
|
102
|
+
mat3ra/esse/models/core/reusable/coordinate_conditions/plane.py,sha256=zIV3ekbu4ygDOb3zGBvzxV8X2Z-3VnJFUFYGHTJMdyc,749
|
|
103
|
+
mat3ra/esse/models/core/reusable/coordinate_conditions/sphere.py,sha256=P6NS9cBYOmjyJ5VeSuVUjpr4-rlTxkgvTYx5zgs--kI,574
|
|
104
|
+
mat3ra/esse/models/core/reusable/coordinate_conditions/triangular_prism.py,sha256=JV5rlqQL43Iz69IWaMlPIg0JeJqo1DJFMx_8cjKhgog,1025
|
|
101
105
|
mat3ra/esse/models/core/reusable/energy_accuracy_levels/Reusable_schema_for_energy_value_with_unit_corresponding_to_a_specific_accuracy_level__e/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
|
|
102
106
|
mat3ra/esse/models/core/reusable/energy_accuracy_levels/Reusable_schema_for_energy_value_with_unit_corresponding_to_a_specific_accuracy_level__e/g.py,sha256=rMNirWgvD2MCc8jWTZmXCDEbKOcBl4Do5-R9W-mJIM4,652
|
|
103
107
|
mat3ra/esse/models/definitions/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
|
|
@@ -130,9 +134,9 @@ mat3ra/esse/models/materials_category/defective_structures/two_dimensional/adato
|
|
|
130
134
|
mat3ra/esse/models/materials_category/defective_structures/two_dimensional/grain_boundary_planar/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
|
|
131
135
|
mat3ra/esse/models/materials_category/defective_structures/two_dimensional/grain_boundary_planar/configuration.py,sha256=IuLezWyDLXQgxocR8-cZk9Eaw7Pu-o_UCZyslsF-TqY,96785
|
|
132
136
|
mat3ra/esse/models/materials_category/defective_structures/two_dimensional/island/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
|
|
133
|
-
mat3ra/esse/models/materials_category/defective_structures/two_dimensional/island/configuration.py,sha256=
|
|
137
|
+
mat3ra/esse/models/materials_category/defective_structures/two_dimensional/island/configuration.py,sha256=ulOMoP-56mHxeI-OYr88r3nCJwJvGBCLjMifJ5Ckems,66755
|
|
134
138
|
mat3ra/esse/models/materials_category/defective_structures/two_dimensional/terrace/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
|
|
135
|
-
mat3ra/esse/models/materials_category/defective_structures/two_dimensional/terrace/configuration.py,sha256=
|
|
139
|
+
mat3ra/esse/models/materials_category/defective_structures/two_dimensional/terrace/configuration.py,sha256=_lF5NfL0tNDigV8C7Lzxj7BAwFCa61q0UDzG7IHqkC0,66946
|
|
136
140
|
mat3ra/esse/models/materials_category/defective_structures/zero_dimensional/point_defect/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
|
|
137
141
|
mat3ra/esse/models/materials_category/defective_structures/zero_dimensional/point_defect/base_configuration.py,sha256=I3pZiB4ivSxKo_8_VkOOmGk_GcKe-Q4bJSUfgd6JTHE,12135
|
|
138
142
|
mat3ra/esse/models/materials_category/defective_structures/zero_dimensional/point_defect/interstitial.py,sha256=agQO-24UY_HExqjbcIb9JrnTT9baoDDEem9NxTCZpCs,23526
|
|
@@ -158,11 +162,11 @@ mat3ra/esse/models/materials_category_components/entities/auxiliary/two_dimensio
|
|
|
158
162
|
mat3ra/esse/models/materials_category_components/entities/auxiliary/zero_dimensional/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
|
|
159
163
|
mat3ra/esse/models/materials_category_components/entities/auxiliary/zero_dimensional/crystal_site.py,sha256=MPGVcAYLAElkrl_dger2cywpTpPbmIRns_xD96JPmB0,12035
|
|
160
164
|
mat3ra/esse/models/materials_category_components/entities/auxiliary/zero_dimensional/point_defect_site.py,sha256=7B3qYwFWhJgkNjJynlZrbkTyzq2hDSGBowLg1k0fyW4,14031
|
|
161
|
-
mat3ra/esse/models/materials_category_components/entities/auxiliary/zero_dimensional/void_region.py,sha256
|
|
165
|
+
mat3ra/esse/models/materials_category_components/entities/auxiliary/zero_dimensional/void_region.py,sha256=L_jp4d7YJQ955YNmJojvasjNAvjQaPy1YGeGL7sba-E,14096
|
|
162
166
|
mat3ra/esse/models/materials_category_components/entities/auxiliary/zero_dimensional/void_site.py,sha256=Eyb9jZfc6DWOM1ECkCsycHWCwFNRZ-CqXZtKQtoI8lo,34945
|
|
163
167
|
mat3ra/esse/models/materials_category_components/entities/core/three_dimensional/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
|
|
164
168
|
mat3ra/esse/models/materials_category_components/entities/core/three_dimensional/crystal.py,sha256=PegLCC_-FHSSIPIhi3vR5LCuFZiNXB9ktjVKD03rxSs,11747
|
|
165
|
-
mat3ra/esse/models/materials_category_components/entities/core/three_dimensional/void.py,sha256=
|
|
169
|
+
mat3ra/esse/models/materials_category_components/entities/core/three_dimensional/void.py,sha256=O4CSYSZkXs72ceagAbSf8Cn2qa3046ncl5874HQc5ek,2575
|
|
166
170
|
mat3ra/esse/models/materials_category_components/entities/core/two_dimensional/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
|
|
167
171
|
mat3ra/esse/models/materials_category_components/entities/core/two_dimensional/vacuum.py,sha256=m6Cp3CZSTZNR7QWZkINQWcrAdrJmVV-FdUOy66-e9hI,12187
|
|
168
172
|
mat3ra/esse/models/materials_category_components/entities/core/zero_dimensional/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
|
|
@@ -563,8 +567,8 @@ mat3ra/esse/models/workflow/unit/runtime/_runtime_item_name_object.py,sha256=CIb
|
|
|
563
567
|
mat3ra/esse/models/workflow/unit/runtime/_runtime_item_string.py,sha256=VouM6ETdIKTiktSTeEpP2pdHZuYHwHrir4W5TLoO_sE,354
|
|
564
568
|
mat3ra/esse/models/workflow/unit/runtime/runtime_item.py,sha256=PujG7jcL8RDok9RSJiEKEB85-uGLoimVnK2k7gqyf2I,471
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565
569
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mat3ra/esse/models/workflow/unit/runtime/runtime_items.py,sha256=Yi53LFKBWqx8oGA1Po38ulfSy-QaBP38VwWk45Q7ZJQ,943
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mat3ra_esse-2025.8.
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567
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mat3ra_esse-2025.8.
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568
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mat3ra_esse-2025.8.
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mat3ra_esse-2025.8.
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570
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mat3ra_esse-2025.8.
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570
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mat3ra_esse-2025.8.9.post0.dist-info/licenses/LICENSE.md,sha256=CBGo1CDw-8EWCk7x9HOiF-OShdnHY6j__TjFyZPpQME,563
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mat3ra_esse-2025.8.9.post0.dist-info/top_level.txt,sha256=GizAtvIqqIcCWShlThl_mgig_bZs_LFyqVah6wrGHIs,7
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574
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mat3ra_esse-2025.8.9.post0.dist-info/RECORD,,
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{mat3ra_esse-2025.8.8.post0.dist-info → mat3ra_esse-2025.8.9.post0.dist-info}/licenses/LICENSE.md
RENAMED
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File without changes
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