Python FeffAtoms.as_dict示例

示例#1

 def test_as_dict_and_from_dict(self):
     file_name = os.path.join(test_dir, 'HEADER')
     header = Header.from_file(file_name)
     struct = header.struct
     atoms = FeffAtoms(struct, 'O')
     d = atoms.as_dict()
     atoms2 = FeffAtoms.from_dict(d)
     self.assertEqual(str(atoms), str(atoms2),
                      "FeffAtoms failed to and from dict test")

示例#2

文件： test_feffio.py 项目： antoinedewandre/pymatgen

 def test_as_dict_and_from_dict(self):
     file_name = os.path.join(test_dir, 'HEADER')
     header = Header.from_file(file_name)
     struct = header.struct
     atoms = FeffAtoms(struct, 'O')
     d = atoms.as_dict()
     atoms2 = FeffAtoms.from_dict(d)
     self.assertEqual(str(atoms), str(atoms2),
                      "FeffAtoms failed to and from dict test")