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47 lines
1.4 KiB
47 lines
1.4 KiB
2 years ago
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"""Function-like objects creating tetragonal lattices.
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The following lattice creators are defined:
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SimleTetragonal
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CenteredTetragonal
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"""
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from ase.lattice.orthorhombic import (SimpleOrthorhombicFactory,
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BodyCenteredOrthorhombicFactory)
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class _Tetragonalize:
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"A mixin class for implementing tetragonal crystals as orthorhombic ones."
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# The name of the crystal structure in ChemicalElements
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xtal_name = "tetragonal"
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def make_crystal_basis(self):
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lattice = self.latticeconstant
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if isinstance(lattice, type({})):
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lattice['b/a'] = 1.0
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else:
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if len(lattice) == 2:
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lattice = (lattice[0], lattice[0], lattice[1])
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else:
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raise ValueError(
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'Improper lattice constants for tetragonal crystal.')
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self.latticeconstant = lattice
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self.orthobase.make_crystal_basis(self)
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class SimpleTetragonalFactory(_Tetragonalize, SimpleOrthorhombicFactory):
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"A factory for creating simple tetragonal lattices."
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orthobase = SimpleOrthorhombicFactory
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SimpleTetragonal = SimpleTetragonalFactory()
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class CenteredTetragonalFactory(_Tetragonalize,
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BodyCenteredOrthorhombicFactory):
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"A factory for creating centered tetragonal lattices."
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orthobase = BodyCenteredOrthorhombicFactory
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CenteredTetragonal = CenteredTetragonalFactory()
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