OEReadMMPIndexMoleculesΒΆ

Attention

PRELIMINARY-IMAGE This is a preliminary API until 2019.Oct and may be improved based on user feedback. It is currently available in C++ and Python.

int OEReadMMPIndexMolecules(OEPlatform::oeistream &ifs, OEMatchedPairAnalyzer &mmpindex, bool regenHKeys=false)
int OEReadMMPIndexMolecules(std::string &fragbytes, OEMatchedPairAnalyzer &mmpindex, bool regenHKeys=false)

This function deserializes Matched Pair fragmentation information from the passed string or oeistream and adds the information to the OEMatchedPairAnalyzer provided.

The goal of this function is to stream the precomputed fragmentation information directly into the Matched Molecular Pair index with maximum efficiency.