def test_get_feffPot(self):
POT = str(FeffInputSet.get_feff_pot(x, structure, central_atom))
d, dr = FeffPot.pot_dict_from_string(POT)
self.assertEqual(d['Co'], 1, "Wrong symbols read in for FeffPot")
def test_init(self):
filepath = os.path.join(test_dir, 'POTENTIALS')
feffpot = FeffPot.pot_string_from_file(filepath)
d, dr = FeffPot.pot_dict_from_string(feffpot)
self.assertEqual(d['Co'], 1, "Wrong symbols read in for FeffPot")
def test_get_feffPot(self):
POT = str(FeffInputSet.get_feff_pot(x, structure, central_atom))
d, dr = FeffPot.pot_dict_from_string(POT)
self.assertEqual(d["Co"], 1, "Wrong symbols read in for FeffPot")
def test_init(self):
filepath = os.path.join(test_dir, 'POTENTIALS')
feffpot = FeffPot.pot_string_from_file(filepath)
d, dr = FeffPot.pot_dict_from_string(feffpot)
self.assertEqual(d['Co'], 1, "Wrong symbols read in for FeffPot")
