iodata.test.test_inputs module

Test iodata.inputs module.

check_load_input_and_compare(fname, fname_expected)

Load saved input file and compare to expected input file.

Parameters:

• fname (str) – Path to input file name to load.

• fname_expected (str) – Path to expected input file to load.

test_input_gaussian_atom_line(tmpdir)

test_input_gaussian_from_fchk(tmpdir)

test_input_gaussian_from_iodata(tmpdir)

test_input_gaussian_from_xyz(tmpdir)

test_input_orca_from_iodata(tmpdir)

test_input_orca_from_molden(tmpdir)

test_input_orca_from_xyz(tmpdir)