OERecordToMol

Attention

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

void OERecordToMol(OEDataFlow::OERecord &rec,
                   OEChem::OEMolBase &mol, bool strict=false,
                   bool fallback=false)

Takes an existing OERecord object (rec) and generates a new OEMolBase object (mol) with the data provided in the OERecord as data set to the OEMolBase. If strict is set to true, then an error will be thrown instead of a warning when data cannot be set to the OEMolBase. When fallback is set true, the function will check the OERecord for any OEMol object if no specific OEMol OEField named Molecule is found.