RDKit::SynthonSpaceSearch::SynthonSpaceSearcher Member List

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

approxSimilarity(const SynthonSpaceHitSet *hitset, const std::vector< size_t > &synthNums) const =0	RDKit::SynthonSpaceSearch::SynthonSpaceSearcher	protectedpure virtual
buildAndVerifyHit(const SynthonSpaceHitSet *hitset, const std::vector< size_t > &synthNums)	RDKit::SynthonSpaceSearch::SynthonSpaceSearcher
buildHit(const SynthonSpaceHitSet *hitset, const std::vector< size_t > &synthNums, std::vector< const std::string * > &synthNames) const	RDKit::SynthonSpaceSearch::SynthonSpaceSearcher	protectedvirtual
checkPossibleHits(std::uint64_t startLine, std::uint64_t finishLine)	RDKit::SynthonSpaceSearch::SynthonSpaceSearcher
d_fragSetUniquifyMode	RDKit::SynthonSpaceSearch::SynthonSpaceSearcher	protected
getBestSimilaritySoFar() const	RDKit::SynthonSpaceSearch::SynthonSpaceSearcher	inlineprotected
getParams() const	RDKit::SynthonSpaceSearch::SynthonSpaceSearcher	inline
getQuery() const	RDKit::SynthonSpaceSearch::SynthonSpaceSearcher	inline
getSpace() const	RDKit::SynthonSpaceSearch::SynthonSpaceSearcher	inline
makeHitsFromToTry(const std::vector< std::pair< const SynthonSpaceHitSet *, std::vector< size_t > > > &toTry, const TimePoint *endTime, std::vector< std::unique_ptr< ROMol > > &results, std::atomic< std::int64_t > &numHitsFound, std::uint64_t &numPossHitsWritten)	RDKit::SynthonSpaceSearch::SynthonSpaceSearcher	protected
operator=(const SynthonSpaceSearcher &other)=delete	RDKit::SynthonSpaceSearch::SynthonSpaceSearcher
operator=(SynthonSpaceSearcher &&other)=delete	RDKit::SynthonSpaceSearch::SynthonSpaceSearcher
quickVerify(const SynthonSpaceHitSet *hitset, const std::vector< size_t > &synthNums) const	RDKit::SynthonSpaceSearch::SynthonSpaceSearcher	protectedvirtual
search(ThreadMode threadMode)	RDKit::SynthonSpaceSearch::SynthonSpaceSearcher
search(const SearchResultCallback &cb, ThreadMode threadMode)	RDKit::SynthonSpaceSearch::SynthonSpaceSearcher
searchFragSet(const std::vector< std::shared_ptr< ROMol > > &fragSet, const SynthonSet &reaction) const =0	RDKit::SynthonSpaceSearch::SynthonSpaceSearcher	pure virtual
SynthonSpaceSearcher()=delete	RDKit::SynthonSpaceSearch::SynthonSpaceSearcher
SynthonSpaceSearcher(const ROMol &query, const SynthonSpaceSearchParams &params, SynthonSpace *space)	RDKit::SynthonSpaceSearch::SynthonSpaceSearcher
SynthonSpaceSearcher(const SynthonSpaceSearcher &other)=delete	RDKit::SynthonSpaceSearch::SynthonSpaceSearcher
SynthonSpaceSearcher(SynthonSpaceSearcher &&other)=delete	RDKit::SynthonSpaceSearch::SynthonSpaceSearcher
updateBestHitSoFar(const ROMol &possBest, double sim)	RDKit::SynthonSpaceSearch::SynthonSpaceSearcher	protected
verifyHit(ROMol &mol, const std::string &, const std::vector< const std::string * > &)	RDKit::SynthonSpaceSearch::SynthonSpaceSearcher	virtual
~SynthonSpaceSearcher()=default	RDKit::SynthonSpaceSearch::SynthonSpaceSearcher	virtual