#include #include #include "bench_common.hpp" #include #include #include #include using namespace RDKit; TEST_CASE("Chirality::findPotentialStereo", "[stereo]") { for (auto smiles : bench_common::CASES) { auto mol = v2::SmilesParse::MolFromSmiles(smiles); REQUIRE(mol); BENCHMARK("Chirality::findPotentialStereo: " + std::string(smiles)) { return Chirality::findPotentialStereo(*mol); }; } } TEST_CASE("CIPLabeler::CIPLabeler", "[stereo]") { for (auto smiles : bench_common::CASES) { auto mol = v2::SmilesParse::MolFromSmiles(smiles); REQUIRE(mol); BENCHMARK("CIPLabeler::assignCIPLabels: " + std::string(smiles)) { return Chirality::findPotentialStereo(*mol); }; } }