def test_init(self): filepath = os.path.join(test_dir, 'POTENTIALS') feffpot = Potential.pot_string_from_file(filepath) d, dr = Potential.pot_dict_from_string(feffpot) self.assertEqual(d['Co'], 1, "Wrong symbols read in for Potential")
def test_get_feffPot(self): POT = str(self.mp_xanes.potential) d, dr = Potential.pot_dict_from_string(POT) self.assertEqual(d["Co"], 1, "Wrong symbols read in for Potential")
def test_init(self): filepath = os.path.join(test_dir, 'POTENTIALS') feffpot = Potential.pot_string_from_file(filepath) d, dr = Potential.pot_dict_from_string(feffpot) self.assertEqual(d['Co'], 1, "Wrong symbols read in for Potential")
def test_get_feffPot(self): POT = str(self.mp_xanes.potential) d, dr = Potential.pot_dict_from_string(POT) self.assertEqual(d['Co'], 1, "Wrong symbols read in for Potential")
def test_init(self): filepath = os.path.join(PymatgenTest.TEST_FILES_DIR, "POTENTIALS") feffpot = Potential.pot_string_from_file(filepath) d, dr = Potential.pot_dict_from_string(feffpot) self.assertEqual(d["Co"], 1, "Wrong symbols read in for Potential")