@Test public void testCalculateMissingHydrogens_Aromatic() throws Exception { IAtomContainer pyrrole = MoleculeFactory.makePyrrole(); IAtom n = pyrrole.getAtom(1); IRingSet rs = (new SSSRFinder(pyrrole)).findSSSR(); IRing ring = (IRing) rs.getAtomContainer(0); for (int j = 0; j < ring.getBondCount(); j++) { ring.getBond(j).setFlag(CDKConstants.ISAROMATIC, true); } Assert.assertEquals(5, ring.getBondCount()); Assert.assertEquals(1, satcheck.calculateNumberOfImplicitHydrogens(n, pyrrole)); }