OESortConfsByTag¶
bool OESortConfsByTag(OEChem::OEMCMolBase& mol,
const std::string& tag,
bool biggerIsBetter);
Reorders the conformers of mol based on the value of generic data on the conformers with the specified tag. The generic data must be stored as either a float or double. biggerIsBetter controls if the highest (true) values appear first in the list or the lowest values (false).
Conformers missing tag float/double generic data will best sorted to the end of the conformer list.