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# fmt: off
import numpy as np
import pytest
from ase.lattice import (
all_variants,
bravais_lattices,
get_lattice_from_canonical_cell,
)
@pytest.mark.parametrize('name', list(bravais_lattices))
def test_bravais_lattices(name):
latcls = bravais_lattices[name]
assert latcls.name == name
assert latcls.longname is not None
for par in latcls.parameters:
assert par in ['a', 'b', 'c', 'alpha', 'beta', 'gamma']
@pytest.mark.parametrize('lat', list(all_variants()),
ids=lambda lat: lat.variant)
def test_variants(lat):
print(lat.variant)
for par in lat.parameters:
print(par, getattr(lat, par))
print('cell', lat.tocell())
cell = lat.tocell()
if lat.name in ['TRI']:
# Automatic check not implemented for these cell types, but we
# can still recognize the canonical form:
lat1 = get_lattice_from_canonical_cell(cell)
else:
lat1 = cell.get_bravais_lattice()
assert lat1.name == lat.name, (lat1.name, lat.name)
assert lat1.variant == lat.variant
assert np.abs(cell - lat1.tocell()).max() < 1e-13
print('cellpar', lat.cellpar())
print('special path', lat.special_path)
arr = lat.get_special_points_array()
assert arr.shape == (len(lat.special_point_names), 3)
dct = lat.get_special_points()
assert len(dct) == len(lat.special_point_names)
print(lat)
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