OECreateBondSmartsString

Attention

This is a preliminary API and may be improved based on user feedback. It is currently available in C++ and Python.

bool OECreateBondSmartsString(std::string& str,
                              const OEChem::OEBondBase* bnd,
                              unsigned int bondSMARTSFlags = OESMARTSBondFlag::BondDefault,
                              bool bExplicitDelim = false)

For a specified bond, generate a SMARTS string of query qualifiers based on the specified bond’s environment and using the constraints defined by the OESMARTSBondFlag namespace.

This function is only provided in C++ and python.