#define CATCH_CONFIG_MAIN // This tells Catch to provide a main() - only do // this in one cpp file #include "RDBoost/test.h" #include "catch.hpp" #include #include #include using namespace RDKit; TEST_CASE("Basic SVG Parsing", "[SVG,parser]") { SECTION("basics") { std::string svg = R"SVG( NH Cl O OH m1 )SVG"; std::unique_ptr mol(RDKitSVGToMol(svg)); REQUIRE(mol); CHECK(mol->getNumAtoms() == 7); CHECK(mol->getNumConformers() == 1); REQUIRE_FALSE(mol->getConformer().is3D()); auto smiles = MolToSmiles(*mol); CHECK(smiles == "CN[C@H](Cl)C(=O)O"); } }