RDKit
Open-source cheminformatics and machine learning.
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RDKit::SynthonSpaceSearch::SynthonSpace Member List

This is the complete list of members for RDKit::SynthonSpaceSearch::SynthonSpace, including all inherited members.

buildSynthonFingerprints(const FingerprintGenerator< std::uint64_t > &fpGen)RDKit::SynthonSpaceSearch::SynthonSpace
fingerprintSearch(const ROMol &query, const FingerprintGenerator< std::uint64_t > &fpGen, const SynthonSpaceSearchParams &params=SynthonSpaceSearchParams())RDKit::SynthonSpaceSearch::SynthonSpace
getNumProducts() constRDKit::SynthonSpaceSearch::SynthonSpace
getNumReactions() constRDKit::SynthonSpaceSearch::SynthonSpaceinline
getReactions() constRDKit::SynthonSpaceSearch::SynthonSpaceinline
getSynthonFingerprintType() constRDKit::SynthonSpaceSearch::SynthonSpaceinline
hasFingerprints() constRDKit::SynthonSpaceSearch::SynthonSpace
operator=(const SynthonSpace &other)=deleteRDKit::SynthonSpaceSearch::SynthonSpace
readDBFile(const std::string &inFilename)RDKit::SynthonSpaceSearch::SynthonSpace
readTextFile(const std::string &inFilename)RDKit::SynthonSpaceSearch::SynthonSpace
substructureSearch(const ROMol &query, const SynthonSpaceSearchParams &params=SynthonSpaceSearchParams())RDKit::SynthonSpaceSearch::SynthonSpace
summarise(std::ostream &os) constRDKit::SynthonSpaceSearch::SynthonSpace
SynthonSpace()=defaultRDKit::SynthonSpaceSearch::SynthonSpaceexplicit
SynthonSpace(const SynthonSpace &other)=deleteRDKit::SynthonSpaceSearch::SynthonSpace
writeDBFile(const std::string &outFilename) constRDKit::SynthonSpaceSearch::SynthonSpace
writeEnumeratedFile(const std::string &outFilename) constRDKit::SynthonSpaceSearch::SynthonSpace