#include "oechem.h" #include using namespace std; using namespace OEChem; int main() { OEGraphMol mol; OEParseSmiles(mol, "Cc1ccccc1"); OESubSearch ss("c1ccccc1"); if (ss.SingleMatch(mol)) { cout << "benzene matches toluene" << endl; } else { cout << "benzene does not match toluene" << endl; } return 0; }