iodata.test.test_inputs module

Test iodata.inputs module.

check_load_input_and_compare(fname, fname_expected)[source]

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_from_fchk(tmpdir)[source]
test_input_gaussian_from_iodata(tmpdir)[source]
test_input_gaussian_from_xyz(tmpdir)[source]
test_input_orca_from_iodata(tmpdir)[source]
test_input_orca_from_molden(tmpdir)[source]
test_input_orca_from_xyz(tmpdir)[source]