addExcludePattern(const Chem::MolecularGraph::SharedPointer &pattern) | CDPL::Pharm::PatternBasedFeatureGenerator | |
addIncludePattern(const Chem::MolecularGraph::SharedPointer &pattern, unsigned int type, double tol, unsigned int geom, double length=1.0) | CDPL::Pharm::PatternBasedFeatureGenerator | |
addNonPatternFeatures(const Chem::MolecularGraph &molgraph, Pharmacophore &pharm) | CDPL::Pharm::PatternBasedFeatureGenerator | inlineprotectedvirtual |
AtomList typedef | CDPL::Pharm::PatternBasedFeatureGenerator | protected |
calcCentroid(const AtomList &, Math::Vector3D &) const | CDPL::Pharm::PatternBasedFeatureGenerator | protected |
calcPlaneFeatureOrientation(const AtomList &, Math::Vector3D &, Math::Vector3D &) | CDPL::Pharm::PatternBasedFeatureGenerator | protected |
calcVecFeatureOrientation(const AtomList &, const AtomList &, Math::Vector3D &) const | CDPL::Pharm::PatternBasedFeatureGenerator | protected |
clearExcludePatterns() | CDPL::Pharm::PatternBasedFeatureGenerator | |
clearIncludePatterns() | CDPL::Pharm::PatternBasedFeatureGenerator | |
clone() const | CDPL::Pharm::PatternBasedFeatureGenerator | virtual |
FEATURE_ATOM_FLAG enum value | CDPL::Pharm::PatternBasedFeatureGenerator | |
FeatureGenerator() | CDPL::Pharm::FeatureGenerator | |
FeatureGenerator(const FeatureGenerator &gen) | CDPL::Pharm::FeatureGenerator | protected |
generate(const Chem::MolecularGraph &molgraph, Pharmacophore &pharm) | CDPL::Pharm::PatternBasedFeatureGenerator | virtual |
GEOM_REF_ATOM1_FLAG enum value | CDPL::Pharm::PatternBasedFeatureGenerator | |
GEOM_REF_ATOM2_FLAG enum value | CDPL::Pharm::PatternBasedFeatureGenerator | |
getAtom3DCoordinatesFunction() const | CDPL::Pharm::FeatureGenerator | |
HBondDonorFeatureGenerator(bool static_h_bonds) | CDPL::Pharm::HBondDonorFeatureGenerator | |
HBondDonorFeatureGenerator(const Chem::MolecularGraph &molgraph, Pharmacophore &pharm, bool static_h_bonds) | CDPL::Pharm::HBondDonorFeatureGenerator | |
isContainedInExMatchList(const Util::BitSet &) const | CDPL::Pharm::PatternBasedFeatureGenerator | protected |
isContainedInIncMatchList(const Util::BitSet &) const | CDPL::Pharm::PatternBasedFeatureGenerator | protected |
operator=(const PatternBasedFeatureGenerator &gen) | CDPL::Pharm::PatternBasedFeatureGenerator | |
CDPL::Pharm::FeatureGenerator::operator=(const FeatureGenerator &gen) | CDPL::Pharm::FeatureGenerator | protected |
PatternAtomLabelFlag enum name | CDPL::Pharm::PatternBasedFeatureGenerator | |
PatternBasedFeatureGenerator() | CDPL::Pharm::PatternBasedFeatureGenerator | |
PatternBasedFeatureGenerator(const PatternBasedFeatureGenerator &gen) | CDPL::Pharm::PatternBasedFeatureGenerator | |
POS_REF_ATOM_FLAG enum value | CDPL::Pharm::PatternBasedFeatureGenerator | |
setAtom3DCoordinatesFunction(const Chem::Atom3DCoordinatesFunction &func) | CDPL::Pharm::FeatureGenerator | virtual |
SharedPointer typedef | CDPL::Pharm::PatternBasedFeatureGenerator | |
~FeatureGenerator() | CDPL::Pharm::FeatureGenerator | inlinevirtual |
~PatternBasedFeatureGenerator() | CDPL::Pharm::PatternBasedFeatureGenerator | virtual |