def test_get_path_to_write_neb_parent_energy(self): kdict=dict() kdict['mast_neb_settings']=dict() kdict['mast_neb_settings']['images']=3 myvcneb=VaspNEBChecker(name="childdir",program_keys = kdict) mypath = myvcneb.get_path_to_write_neb_parent_energy(1) self.assertEqual(mypath, "childdir/00/OSZICAR") mypath = myvcneb.get_path_to_write_neb_parent_energy(2) self.assertEqual(mypath, "childdir/04/OSZICAR") mypath = myvcneb.get_path_to_write_neb_parent_energy('02') self.assertEqual(mypath, "childdir/02/OSZICAR")