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RDKit::SynthonSpaceSearch::SynthonSpace Member List

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

addReactionToPool(const std::string &reactionName) | RDKit::SynthonSpaceSearch::SynthonSpace | protected
addSynthonToPool(const std::string &smiles) | RDKit::SynthonSpaceSearch::SynthonSpace | protected
buildSynthonFingerprints(const FingerprintGenerator< std::uint64_t > &fpGen) | RDKit::SynthonSpaceSearch::SynthonSpace |
enumerateToStream(std::ostream &os) const | RDKit::SynthonSpaceSearch::SynthonSpace |
fingerprintSearch(const ROMol &query, const FingerprintGenerator< std::uint64_t > &fpGen, const SynthonSpaceSearchParams &params=SynthonSpaceSearchParams()) | RDKit::SynthonSpaceSearch::SynthonSpace |
fingerprintSearch(const ROMol &query, const FingerprintGenerator< std::uint64_t > &fpGen, const SearchResultCallback &callback, const SynthonSpaceSearchParams &params=SynthonSpaceSearchParams()) | RDKit::SynthonSpaceSearch::SynthonSpace |
getFPSize() const | RDKit::SynthonSpaceSearch::SynthonSpace |
getHasRingFormer() const | RDKit::SynthonSpaceSearch::SynthonSpace | inline protected
getInputFileName() const | RDKit::SynthonSpaceSearch::SynthonSpace |
getMaxNumConnectors() const | RDKit::SynthonSpaceSearch::SynthonSpace | protected
getMaxNumSynthons() const | RDKit::SynthonSpaceSearch::SynthonSpace | inline protected
getNumProducts() const | RDKit::SynthonSpaceSearch::SynthonSpace |
getNumReactions() const | RDKit::SynthonSpaceSearch::SynthonSpace |
getPatternFPSize() const | RDKit::SynthonSpaceSearch::SynthonSpace |
getReaction(std::string reactionName) | RDKit::SynthonSpaceSearch::SynthonSpace |
getReactionNames() const | RDKit::SynthonSpaceSearch::SynthonSpace |
getSynthonFingerprintType() const | RDKit::SynthonSpaceSearch::SynthonSpace | inline
getSynthonFromPool(const std::string &smiles) const | RDKit::SynthonSpaceSearch::SynthonSpace | protected
hasAddAndSubstractFingerprints() const | RDKit::SynthonSpaceSearch::SynthonSpace | protected
hasFingerprints() const | RDKit::SynthonSpaceSearch::SynthonSpace | protected
operator=(const SynthonSpace &other)=delete | RDKit::SynthonSpaceSearch::SynthonSpace |
rascalSearch(const ROMol &query, const RascalMCES::RascalOptions &rascalOptions, const SynthonSpaceSearchParams &params=SynthonSpaceSearchParams()) | RDKit::SynthonSpaceSearch::SynthonSpace |
rascalSearch(const ROMol &query, const RascalMCES::RascalOptions &rascalOptions, const SearchResultCallback &callback, const SynthonSpaceSearchParams &params=SynthonSpaceSearchParams()) | RDKit::SynthonSpaceSearch::SynthonSpace |
readDBFile(const std::string &inFilename, int numThreads=1) | RDKit::SynthonSpaceSearch::SynthonSpace |
readStream(std::istream &is, bool &cancelled) | RDKit::SynthonSpaceSearch::SynthonSpace |
readTextFile(const std::string &inFilename, bool &cancelled) | RDKit::SynthonSpaceSearch::SynthonSpace |
substructureSearch(const ROMol &query, const SubstructMatchParameters &matchParams=SubstructMatchParameters(), const SynthonSpaceSearchParams &params=SynthonSpaceSearchParams()) | RDKit::SynthonSpaceSearch::SynthonSpace |
substructureSearch(const ROMol &query, const SearchResultCallback &callback, const SubstructMatchParameters &matchParams=SubstructMatchParameters(), const SynthonSpaceSearchParams &params=SynthonSpaceSearchParams()) | RDKit::SynthonSpaceSearch::SynthonSpace |
substructureSearch(const GeneralizedSubstruct::ExtendedQueryMol &query, const SubstructMatchParameters &matchParams=SubstructMatchParameters(), const SynthonSpaceSearchParams &params=SynthonSpaceSearchParams()) | RDKit::SynthonSpaceSearch::SynthonSpace |
summarise(std::ostream &os) | RDKit::SynthonSpaceSearch::SynthonSpace |
SynthonSet class | RDKit::SynthonSpaceSearch::SynthonSpace | friend
SynthonSpace()=default | RDKit::SynthonSpaceSearch::SynthonSpace | explicit
SynthonSpace(const SynthonSpace &other)=delete | RDKit::SynthonSpaceSearch::SynthonSpace |
SynthonSpaceFingerprintSearcher class | RDKit::SynthonSpaceSearch::SynthonSpace | friend
SynthonSpaceRascalSearcher class | RDKit::SynthonSpaceSearch::SynthonSpace | friend
SynthonSpaceSearcher class | RDKit::SynthonSpaceSearch::SynthonSpace | friend
SynthonSpaceSubstructureSearcher class | RDKit::SynthonSpaceSearch::SynthonSpace | friend
writeDBFile(const std::string &outFilename) const | RDKit::SynthonSpaceSearch::SynthonSpace |
writeEnumeratedFile(const std::string &outFilename) const | RDKit::SynthonSpaceSearch::SynthonSpace |
~SynthonSpace()=default | RDKit::SynthonSpaceSearch::SynthonSpace |