def test_c8h22(self): auxinfo = "AuxInfo=1/0/N:1,8,4,6,2,7,3,5/E:(1,2)(3,4)(5,6)(7,8)/rA:8C.2C.2CCCCCC/rB:s1;s2;s3;s3;s5;s5;d7;/rC:;;;;;;;;" e_layer = _parse_e_layer(auxinfo) expected = [[1, 2], [3, 4], [5, 6], [7, 8]] self.assertTrue(e_layer == expected)
def test_c7h17(self): auxinfo = "AuxInfo=1/0/N:3,5,7,2,4,6,1/E:(1,2,3)(4,5,6)/rA:7CCCCCCC/rB:s1;d2;s1;d4;s1;d6;/rC:;;;;;;;" e_layer = _parse_e_layer(auxinfo) expected = [[1, 2, 3], [4, 5, 6]] self.assertTrue(e_layer == expected)
def test_no_equivalence_layer(self): """Test that the absence of an E-layer results in an empty list.""" auxinfo = "AuxInfo=1/0/N:1/rA:1C/rB:/rC:;" e_layer = _parse_e_layer(auxinfo) self.assertFalse(e_layer)