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import pytest
from ase.build import bulk
from ase.io import write
def test_info(cli):
assert 'numpy' in cli.ase('info')
def test_info_formats(cli):
assert 'traj' in cli.ase('info', '--formats')
def test_info_calculators(cli):
assert 'gpaw' in cli.ase('info', '--calculators')
@pytest.fixture
def fname(testdir):
atoms = bulk('Au')
filename = 'file.traj'
write(filename, atoms)
return filename
def test_info_file_ok(cli, fname):
assert 'trajectory' in cli.ase('info', fname)
def test_info_file_fail(cli):
cli.ase('info', 'nonexistent_file.traj', expect_fail=True)
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