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"""Bravais lattice type check.
1) For each Bravais variant, check that we recognize the
standard cell correctly.
2) For those Bravais lattices that we can recognize in non-standard form,
Niggli-reduce them and recognize them as well."""
import pytest
import numpy as np
from ase.lattice import (get_lattice_from_canonical_cell, all_variants,
identify_lattice)
variants = [lat for lat in all_variants() if lat.ndim == 3]
@pytest.mark.parametrize('lat', variants)
def test_lattice(lat):
cell = lat.tocell()
def check(lat1):
print('check', repr(lat), '-->', repr(lat1))
err = np.abs(cell.cellpar() - lat1.cellpar()).max()
assert err < 1e-5, err
check(get_lattice_from_canonical_cell(cell))
if lat.name == 'TRI':
# The TRI lattices generally permute (the ones we produce as
# all_variants() are reduced to a form with smaller
# orthogonality defect) which might be desirable but would
# trigger an error in this test.
return
stdcell, op = identify_lattice(cell, 1e-4)
check(stdcell)
rcell, op = cell.niggli_reduce()
stdcell, op = identify_lattice(rcell, 1e-4)
check(stdcell)
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