OESystem::OEIterBase<OEChem::OEMolBase> * OEMatchedPairApplyTransforms(const OEChem::OEMolBase &mol, OEMatchedPairAnalyzer &mmp, int chemcontext=OEMatchedPairContext::Default, unsigned int minMMPThreshold=0)
OEMatchedPairApplyTransforms function will take the matched pair
analysis provided by the
OEMatchedPairAnalyzer engine to generate
a set of transformations to apply to the input molecule. The output molecule(s)
will be annotated with SD data that identifies the original pair of molecules from the matched pair indexing,
any data associated with those original molecules, and the transformation that resulted in the output molecule.
The context argument controls the amount of chemistry information that should be used in constructing
the transformation reaction, see
minMMPThreshold argument will only
apply transformations that meet or exceed the specified number of matched pairs. A
0 will apply transformations regardless of the number of matched pairs associated with them.