def test_is_atom_long_line_true(self): """ """ is_an_atom = Shelxfile.is_atom(atomline='O1 3 0.120080 0.336659 0.494426 11.00000 0.01445 ...') self.assertEqual(True, is_an_atom)
def test_is_an_atom_short(self): is_atom = Shelxfile.is_atom('O1 3 0.120080 0.336659 0.494426') self.assertEqual(True, is_atom)
def test_is_no_atom_because_coordinate_is_missing(self): is_an_atom = Shelxfile.is_atom(atomline='O1 4 0.120080 0.494426 11.00000 0.01445 ...') self.assertEqual(False, is_an_atom)
def test_is_no_atom_because_its_a_command2(self): is_atom = Shelxfile.is_atom("AFIX") self.assertEqual(False, is_atom)
def test_is_no_atoms_because_type_is_missing(self): is_an_atom = Shelxfile.is_atom(atomline='O1 0.120080 0.336659 0.494426 11.00000 0.01445 ...') self.assertEqual(False, is_an_atom)