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
fingerprintSearch(const ROMol &query, const FingerprintGenerator< std::uint64_t > &fpGen, const SynthonSpaceSearchParams &params=SynthonSpaceSearchParams())	RDKit::SynthonSpaceSearch::SynthonSpace
getFPSize() const	RDKit::SynthonSpaceSearch::SynthonSpace
getInputFileName() const	RDKit::SynthonSpaceSearch::SynthonSpace
getMaxNumSynthons() const	RDKit::SynthonSpaceSearch::SynthonSpace	inlineprotected
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
readDBFile(const std::string &inFilename, int numThreads=1)	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 GeneralizedSubstruct::ExtendedQueryMol &query, const SubstructMatchParameters &matchParams=SubstructMatchParameters(), const SynthonSpaceSearchParams &params=SynthonSpaceSearchParams())	RDKit::SynthonSpaceSearch::SynthonSpace
summarise(std::ostream &os)	RDKit::SynthonSpaceSearch::SynthonSpace
SynthonSet	RDKit::SynthonSpaceSearch::SynthonSpace	friend
SynthonSpace()=default	RDKit::SynthonSpaceSearch::SynthonSpace	explicit
SynthonSpace(const SynthonSpace &other)=delete	RDKit::SynthonSpaceSearch::SynthonSpace
SynthonSpaceFingerprintSearcher	RDKit::SynthonSpaceSearch::SynthonSpace	friend
SynthonSpaceRascalSearcher	RDKit::SynthonSpaceSearch::SynthonSpace	friend
SynthonSpaceSearcher	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