File: tetragonal.py

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# fmt: off

"""Function-like objects creating tetragonal lattices.

The following lattice creators are defined:
    SimleTetragonal
    CenteredTetragonal
"""

from ase.lattice.orthorhombic import (
    BodyCenteredOrthorhombicFactory,
    SimpleOrthorhombicFactory,
)


class _Tetragonalize:
    "A mixin class for implementing tetragonal crystals as orthorhombic ones."

    # The name of the crystal structure in ChemicalElements
    xtal_name = "tetragonal"

    def make_crystal_basis(self):
        lattice = self.latticeconstant
        if isinstance(lattice, type({})):
            lattice['b/a'] = 1.0
        else:
            if len(lattice) == 2:
                lattice = (lattice[0], lattice[0], lattice[1])
            else:
                raise ValueError(
                    'Improper lattice constants for tetragonal crystal.')
        self.latticeconstant = lattice
        self.orthobase.make_crystal_basis(self)


class SimpleTetragonalFactory(_Tetragonalize, SimpleOrthorhombicFactory):
    "A factory for creating simple tetragonal lattices."
    orthobase = SimpleOrthorhombicFactory


SimpleTetragonal = SimpleTetragonalFactory()


class CenteredTetragonalFactory(_Tetragonalize,
                                BodyCenteredOrthorhombicFactory):
    "A factory for creating centered tetragonal lattices."
    orthobase = BodyCenteredOrthorhombicFactory


CenteredTetragonal = CenteredTetragonalFactory()