#include "oechem.h" #include #include using namespace OEChem; using namespace std; int main() { string str; OEMol mol; if (OEParseSmiles(mol,"c1ccccc1")) { OEAssignAromaticFlags(mol); OECreateCanSmiString(str,mol); cout << "Canonical SMILES is " << str << endl; } else cerr << "SMILES string was invalid!" << endl; return 0; }