def test_cli_trajedit_2():
"""Test trajedit 2."""
cli_trajedit.main(
toptest,
[trajtest],
)
p1 = Path('traj_out.dcd')
assert p1.exists()
p1.unlink()
def test_cli_trajedit_SystemExit_align():
"""Test trajedit 1."""
with pytest.raises(SystemExit) as exit:
cli_trajedit.main(
toptest,
[trajtest],
align='name ZZZ',
)
assert exit.type == SystemExit
assert exit.value.code == 126
def test_cli_trajedit_3():
"""Test trajedit 3."""
cli_trajedit.main(
toptest,
[trajtest],
top_output='topooo.pdb',
)
p2 = Path('topooo.pdb')
p1 = Path('traj_out.dcd')
assert p1.exists()
assert p2.exists()
p1.unlink()
p2.unlink()
def test_cli_trajedit_1():
"""Test trajedit 1."""
cli_trajedit.main(
toptest,
[trajtest],
insort=True,
selection='name CA',
traj_output='traj.dcd',
top_output='topooo.pdb',
unwrap=True,
align='name CA',
)
p1 = Path('traj.dcd')
p2 = Path('topooo.pdb')
assert p1.exists()
assert p2.exists()
p1.unlink()
p2.unlink()