Python FeffAtoms.atoms_string_from_file示例

示例#1

 def test_init(self):
     filepath = os.path.join(test_dir, 'ATOMS')
     atoms = FeffAtoms.atoms_string_from_file(filepath)
     self.assertEqual(atoms.splitlines()[3].split()[4], 'O',
                      "failed to read ATOMS file")

示例#2

文件： test_feffio.py 项目： NadezhdaBzhilyanskaya/pymatgen

 def test_init(self):
     filepath = os.path.join(test_dir, 'ATOMS')
     atoms = FeffAtoms.atoms_string_from_file(filepath)
     self.assertEqual(atoms.splitlines()[3].split()[4], 'O',
                      "failed to read ATOMS file")