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Merge pull request #176 from Exabyte-io/chore/docstrings
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chore/docstrings
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timurbazhirov authored Nov 23, 2024
2 parents e751119 + 5f10743 commit c2021eb
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23 changes: 23 additions & 0 deletions src/py/mat3ra/made/tools/build/interface/configuration.py
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class InterfaceConfiguration(BaseModel, InMemoryEntity):
"""
Configuration for an interface between two slabs.
Args:
film_configuration (SlabConfiguration): The configuration of the film slab.
substrate_configuration (SlabConfiguration): The configuration of the substrate slab.
film_termination (Termination): The termination of the film.
substrate_termination (Termination): The termination of the substrate.
distance_z (float): The distance between the film and the substrate in Angstroms.
vacuum (float): The vacuum thickness, in Angstroms.
"""

film_configuration: SlabConfiguration
substrate_configuration: SlabConfiguration
film_termination: Termination
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class TwistedInterfaceConfiguration(BaseConfiguration):
"""
Configuration for creating a twisted interface between two slabs with specified twist angle.
Args:
film (Material): The film material.
substrate (Material): The substrate material.
twist_angle (float): Twist angle in degrees.
distance_z (float): Vertical distance between layers in Angstroms.
vacuum (float): Vacuum thickness, in Angstroms.
"""

film: Material
substrate: Optional[Material] = None
twist_angle: float = 0.0
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9 changes: 9 additions & 0 deletions src/py/mat3ra/made/tools/build/perturbation/configuration.py
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class PerturbationConfiguration(BaseModel, InMemoryEntity):
"""
Configuration for a geometrical perturbation.
Args:
material (Material): The Material object.
perturbation_function_holder (PerturbationFunctionHolder): The perturbation function holder.
use_cartesian_coordinates (bool): Whether to use cartesian coordinates
"""

material: Material
perturbation_function_holder: Union[
SineWavePerturbationFunctionHolder, PerturbationFunctionHolder
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