void test7() { string smi = "c1ccccc1C"; #if 1 Mol *m = SmilesToMol(smi); Mol::AromaticAtomIterator atomIt; Mol::AromaticAtomIterator beginP(m->beginAromaticAtoms()); Mol::AromaticAtomIterator endP(m->endAromaticAtoms()); unsigned int idx = 0; for (atomIt = beginP; atomIt != endP; atomIt++) { TEST_ASSERT((*atomIt)->getIdx() == idx); idx++; } TEST_ASSERT(idx == 6); atomIt = beginP; atomIt++; atomIt--; TEST_ASSERT((*atomIt)->getIdx() == 0); delete m; smi = "Cc1ccccc1"; m = SmilesToMol(smi); beginP = m->beginAromaticAtoms(); endP = m->endAromaticAtoms(); idx = 0; for (atomIt = beginP; atomIt != endP; atomIt++) { TEST_ASSERT((*atomIt)->getIdx() == idx + 1); idx++; } TEST_ASSERT(idx == 6); #endif BOOST_LOG(rdInfoLog) << "test7 done" << endl; }