def testAugmentedInChIKey(self): """ Test that Augmented InChI Key generation is printing the mult layer """ mol = Molecule().fromAdjacencyList(""" 1 C u1 p0 c0 {2,S} 2 C u1 p0 c0 {1,S} """, saturateH=True) self.assertEqual(mol.toAugmentedInChIKey(), 'VGGSQFUCUMXWEO-UHFFFAOYSAmult3')