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

bool OECreateAtomSmartsString(std::string &str, const OEChem::OEAtomBase *atm,
                              unsigned int atomSMARTSFlags = OESMARTSAtomFlag::AtomDefault,
                              bool bExplicitDelim = true);

For a specified atom, generate a SMARTS string of query qualifiers based on the specified atom’s environment and using the constraints defined by the OESMARTSAtomFlag namespace. The bExplicitDelim argument indicates if the generated property list should be explicitly ; delimited in the output to simplify post-processing for custom constraint generations.

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