Python LammpsTrajectory.write_as_lammps Examples

Example #1

File: test_trajectory.py Project: mjclarke94/aiida-lammps

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)

Example #2

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)