AtomIdentifierFunction typedef | CDPL::Descr::CircularFingerprintGenerator | |
BondIdentifierFunction typedef | CDPL::Descr::CircularFingerprintGenerator | |
chiralityIncluded() const | CDPL::Descr::CircularFingerprintGenerator | |
CircularFingerprintGenerator() | CDPL::Descr::CircularFingerprintGenerator | |
CircularFingerprintGenerator(const Chem::MolecularGraph &molgraph) | CDPL::Descr::CircularFingerprintGenerator | |
DEF_ATOM_PROPERTY_FLAGS | CDPL::Descr::CircularFingerprintGenerator | static |
DEF_BOND_PROPERTY_FLAGS | CDPL::Descr::CircularFingerprintGenerator | static |
generate(const Chem::MolecularGraph &molgraph) | CDPL::Descr::CircularFingerprintGenerator | |
getFeatureIdentifier(std::size_t ftr_idx) const | CDPL::Descr::CircularFingerprintGenerator | |
getFeatureSubstructure(std::size_t ftr_idx) const | CDPL::Descr::CircularFingerprintGenerator | |
getFeatureSubstructure(std::size_t ftr_idx, Chem::Fragment &frag, bool clear=true) const | CDPL::Descr::CircularFingerprintGenerator | |
getFeatureSubstructures(std::size_t bit_idx, std::size_t bs_size, Chem::FragmentList &frags, bool clear=true) const | CDPL::Descr::CircularFingerprintGenerator | |
getNumFeatures() const | CDPL::Descr::CircularFingerprintGenerator | |
getNumIterations() const | CDPL::Descr::CircularFingerprintGenerator | |
hydrogensIncluded() const | CDPL::Descr::CircularFingerprintGenerator | |
includeChirality(bool include) | CDPL::Descr::CircularFingerprintGenerator | |
includeHydrogens(bool include) | CDPL::Descr::CircularFingerprintGenerator | |
setAtomIdentifierFunction(const AtomIdentifierFunction &func) | CDPL::Descr::CircularFingerprintGenerator | |
setBondIdentifierFunction(const BondIdentifierFunction &func) | CDPL::Descr::CircularFingerprintGenerator | |
setFeatureBits(Util::BitSet &bs, bool reset=true) const | CDPL::Descr::CircularFingerprintGenerator | |
setFeatureBits(std::size_t atom_idx, Util::BitSet &bs, bool reset=true) const | CDPL::Descr::CircularFingerprintGenerator | |
setNumIterations(std::size_t num_iter) | CDPL::Descr::CircularFingerprintGenerator | |