Пример #1
0
 def test_get_string(self):
     header = Header.from_string(header_string)
     struc = header.struct
     central_atom = 'O'
     a = Atoms(struc, central_atom, radius=10.)
     atoms = a.get_string()
     self.assertEqual(atoms.splitlines()[3].split()[4], central_atom,
                      "failed to create ATOMS string")
Пример #2
0
 def test_get_string(self):
     header = Header.from_string(header_string)
     struc = header.struct
     central_atom = 'O'
     a = Atoms(struc, central_atom)
     atoms = a.get_string()
     self.assertEqual(atoms.splitlines()[3].split()[4], central_atom,
                      "failed to create ATOMS string")