// // Copyright (C) 2024 Greg Landrum and other RDKit contributors // // @@ All Rights Reserved @@ // This file is part of the RDKit. // The contents are covered by the terms of the BSD license // which is included in the file license.txt, found at the root // of the RDKit source tree. // #include #include #include #include #include #include using namespace RDKit; TEST_CASE("github #7556: chiral sulfur in conjugated rings") { SECTION("as reported") { auto m = "CC1=CC(Cl)=CC2=C1N=[S@](C)N=C2N"_smiles; REQUIRE(m); CHECK(!m->getBondBetweenAtoms(8, 9)->getIsConjugated()); CHECK(!m->getBondBetweenAtoms(9, 11)->getIsConjugated()); REQUIRE(m->getAtomWithIdx(9)->getChiralTag() != Atom::CHI_UNSPECIFIED); } }