@Test public void atomStereoReordered() { QueryAtomContainer mol = new QueryAtomContainer(null); assertTrue(Smarts.parse(mol, "C[C@H](O)CC")); IBond[] bonds = AtomContainerManipulator.getBondArray(mol); swap(bonds, 1, 2); mol.setBonds(bonds); assertThat(Smarts.generate(mol), is("C[C@@H1](CC)O")); }