OEExtractRingTemplates¶
OESystem::OEIterBase<OEMolBase> * OEExtractRingTemplates(const OEMolBase &mol)
OESystem::OEIterBase<OEMolBase> * OEExtractRingTemplates(const OEMolBase &mol,
const OEExtractRingTemplateOptions &opts)
Returns an iterator over the anonymized ring systems of the given molecule.
Note
The OEExtractRingTemplates
function is used to extract
potential new ring templates for the 2D coordinate generation system
and it requires an input molecule with 2D coordinates.
We recommend using the OE2DRingDictionary class for generating a ring template dictionary.
See also
Example program ExtractRingTemplates.java