def test_write_gulp_format_with_filter(data_regression, file_regression): data = read_lammps_format(lammps_file.splitlines()) data = filter_by_species(data, ["Fe core", "S core"]) data_regression.check(data) output, nflags, nfit = write_gulp_format(data) file_regression.check(six.ensure_text(output))
def test_round_trip_lammps_format(file_regression): data = read_lammps_format(lammps_file.splitlines()) output = write_lammps_format(data) file_regression.check(six.ensure_text(output))
def test_write_gulp_format(file_regression): data = read_lammps_format(lammps_file.splitlines()) output, nflags, nfit = write_gulp_format(data) file_regression.check(six.ensure_text(output))
def test_read_lammps_format(data_regression): output = read_lammps_format(lammps_file.splitlines()) data_regression.check(output)