@Test public void imidazole_ignoreAromatic() throws Exception { Graph g = convert(TestMoleculeFactory.makeImidazole(), true, true, false, true); assertThat(g.toSmiles(), is("C=1NC=NC1")); }
@Test public void imidazole() throws Exception { Graph g = convert(TestMoleculeFactory.makeImidazole(), true, true); assertThat(g.toSmiles(), is("c1[nH]cnc1")); }