bool OEHasSDData(const OEMolBase &mol, const std::string tag)
true
if molecule has an item with the given tag,
false
otherwise.
std::string OEGetSDData(const OEMolBase &mol, const std::string tag)
OESystem::OEIterBase<OESDDataPair> *OEGetSDDataPairs(OEMolBase &mol)