def test_write_as_lammps(db_test_app, tmp_path): path = os.path.join(TEST_DIR, "input_files", "trajectory.lammpstrj") data = LammpsTrajectory(path) with tmp_path.joinpath("trajectory.lammpstrj").open(mode="wb") as handle: data.write_as_lammps(handle)
def test_write_as_lammps(db_test_app, tmp_path): # pylint: disable=unused-argument """Test that one can write the trajectory in a lammps compatible format""" path = os.path.join(TEST_DIR, 'input_files', 'trajectory.lammpstrj') data = LammpsTrajectory(path) with tmp_path.joinpath('trajectory.lammpstrj').open(mode='wb') as handle: data.write_as_lammps(handle)