mat3ra-esse 2025.8.6.post1__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/compound_pristine_structures/two_dimensional/interface/configuration.py +15 -12
- mat3ra/esse/models/materials_category/defective_structures/one_dimensional/grain_boundary_linear/configuration.py +15 -12
- mat3ra/esse/models/materials_category/defective_structures/two_dimensional/adatom/configuration.py +9 -6
- mat3ra/esse/models/materials_category/defective_structures/two_dimensional/grain_boundary_planar/configuration.py +15 -12
- mat3ra/esse/models/materials_category/defective_structures/two_dimensional/island/configuration.py +52 -10
- mat3ra/esse/models/materials_category/defective_structures/two_dimensional/terrace/configuration.py +52 -10
- mat3ra/esse/models/materials_category/pristine_structures/two_dimensional/nanoribbon.py +9 -6
- mat3ra/esse/models/materials_category/pristine_structures/two_dimensional/nanotape.py +7 -4
- mat3ra/esse/models/materials_category/pristine_structures/two_dimensional/slab.py +7 -4
- mat3ra/esse/models/materials_category/pristine_structures/two_dimensional/slab_strained_supercell.py +7 -4
- 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/models/materials_category_components/entities/reusable/two_dimensional/slab_stack_configuration.py +9 -6
- mat3ra/esse/models/materials_category_components/operations/core/combinations/stack.py +8 -5
- {mat3ra_esse-2025.8.6.post1.dist-info → mat3ra_esse-2025.8.9.post0.dist-info}/METADATA +1 -1
- {mat3ra_esse-2025.8.6.post1.dist-info → mat3ra_esse-2025.8.9.post0.dist-info}/RECORD +27 -23
- {mat3ra_esse-2025.8.6.post1.dist-info → mat3ra_esse-2025.8.9.post0.dist-info}/WHEEL +0 -0
- {mat3ra_esse-2025.8.6.post1.dist-info → mat3ra_esse-2025.8.9.post0.dist-info}/licenses/LICENSE.md +0 -0
- {mat3ra_esse-2025.8.6.post1.dist-info → mat3ra_esse-2025.8.9.post0.dist-info}/top_level.txt +0 -0
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@@ -1138,8 +1138,11 @@ class VacuumConfigurationSchema(BaseModel):
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"""
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mat3ra/esse/models/materials_category/pristine_structures/two_dimensional/slab_strained_supercell.py
CHANGED
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"""
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"""
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mat3ra/esse/models/materials_category_components/entities/auxiliary/zero_dimensional/void_region.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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position_on_surface_2: List[float] = Field(
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position_on_surface_3: List[float] = Field(
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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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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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class SphereCoordinateConditionSchema(BaseModel):
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radius: confloat(ge=0.0)
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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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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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mat3ra_esse-2025.8.9.post0.dist-info/WHEEL,sha256=_zCd3N1l69ArxyTb8rzEoP9TpbYXkqRFSNOD5OuxnTs,91
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573
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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-2025.8.6.post1.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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