def test_cs_core_contribution(self): filename = os.path.join(test_dir, "nmr", "cs", "core.diff", "core.diff.chemical.shifts.OUTCAR") outcar = Outcar(filename) core_contrib = outcar.read_cs_core_contribution() self.assertEqual(core_contrib, {'Mg': -412.8248405, 'C': -200.5098812, 'O': -271.0766979})