RDKit
Open-source cheminformatics and machine learning.
|
This is the complete list of members for RDKit::FPBReader, including all inherited members.
cleanup() | RDKit::FPBReader | inline |
FPBReader() | RDKit::FPBReader | inline |
FPBReader(const char *fname, bool lazyRead=false) | RDKit::FPBReader | inline |
FPBReader(const std::string &fname, bool lazyRead=false) | RDKit::FPBReader | inline |
FPBReader(std::istream *inStream, bool takeOwnership=true, bool lazyRead=false) | RDKit::FPBReader | inline |
getBytes(unsigned int idx) const | RDKit::FPBReader | |
getContainingNeighbors(const std::uint8_t *bv) const | RDKit::FPBReader | |
getContainingNeighbors(boost::shared_array< std::uint8_t > bv) const | RDKit::FPBReader | inline |
getContainingNeighbors(const ExplicitBitVect &ebv) const | RDKit::FPBReader | |
getFP(unsigned int idx) const | RDKit::FPBReader | |
getFPIdsInCountRange(unsigned int minCount, unsigned int maxCount) | RDKit::FPBReader | |
getId(unsigned int idx) const | RDKit::FPBReader | |
getTanimoto(unsigned int idx, const std::uint8_t *bv) const | RDKit::FPBReader | |
getTanimoto(unsigned int idx, boost::shared_array< std::uint8_t > bv) const | RDKit::FPBReader | inline |
getTanimoto(unsigned int idx, const ExplicitBitVect &ebv) const | RDKit::FPBReader | |
getTanimotoNeighbors(const std::uint8_t *bv, double threshold=0.7, bool usePopcountScreen=true) const | RDKit::FPBReader | |
getTanimotoNeighbors(boost::shared_array< std::uint8_t > bv, double threshold=0.7, bool usePopcountScreen=true) const | RDKit::FPBReader | inline |
getTanimotoNeighbors(const ExplicitBitVect &ebv, double threshold=0.7, bool usePopcountScreen=true) const | RDKit::FPBReader | |
getTversky(unsigned int idx, const std::uint8_t *bv, double ca, double cb) const | RDKit::FPBReader | |
getTversky(unsigned int idx, boost::shared_array< std::uint8_t > bv, double ca, double cb) const | RDKit::FPBReader | inline |
getTversky(unsigned int idx, const ExplicitBitVect &ebv, double ca, double cb) const | RDKit::FPBReader | |
getTverskyNeighbors(const std::uint8_t *bv, double ca, double cb, double threshold=0.7, bool usePopcountScreen=true) const | RDKit::FPBReader | |
getTverskyNeighbors(boost::shared_array< std::uint8_t > bv, double ca, double cb, double threshold=0.7, bool usePopcountScreen=true) const | RDKit::FPBReader | inline |
getTverskyNeighbors(const ExplicitBitVect &ebv, double ca, double cb, double threshold=0.7, bool usePopcountScreen=true) const | RDKit::FPBReader | |
init() | RDKit::FPBReader | |
length() const | RDKit::FPBReader | |
nBits() const | RDKit::FPBReader | |
operator[](unsigned int idx) const | RDKit::FPBReader | inline |
~FPBReader() | RDKit::FPBReader | inline |