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import pytest
import numpy as np
from ase.cell import Cell
testcellpar = (2, 3, 4, 50, 60, 70)
@pytest.fixture
def cell():
return Cell.new(testcellpar)
def test_lengths_angles(cell):
assert cell.cellpar() == pytest.approx(testcellpar)
assert cell.lengths() == pytest.approx(testcellpar[:3])
assert cell.angles() == pytest.approx(testcellpar[3:])
def test_new():
assert np.array_equal(Cell.new(), np.zeros((3, 3)))
assert np.array_equal(Cell.new([1, 2, 3]), np.diag([1, 2, 3]))
assert Cell.new(testcellpar).cellpar() == pytest.approx(testcellpar)
arr = np.arange(9).reshape(3, 3)
assert np.array_equal(Cell.new(arr), arr)
with pytest.raises(ValueError):
Cell.new([1, 2, 3, 4])
def test_handedness(cell):
assert cell.handedness == 1
cell[0] *= -1
assert cell.handedness == -1
cell[0] = 0
assert cell.handedness == 0
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