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 | |
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::HydrophobicFeatureGenerator | virtual |
DEF_FEATURE_GEOM | CDPL::Pharm::HydrophobicFeatureGenerator | static |
DEF_FEATURE_TOL | CDPL::Pharm::HydrophobicFeatureGenerator | static |
DEF_FEATURE_TYPE | CDPL::Pharm::HydrophobicFeatureGenerator | static |
DEF_HYD_THRESHOLD_CHAIN | CDPL::Pharm::HydrophobicFeatureGenerator | static |
DEF_HYD_THRESHOLD_GROUP | CDPL::Pharm::HydrophobicFeatureGenerator | static |
DEF_HYD_THRESHOLD_RING | CDPL::Pharm::HydrophobicFeatureGenerator | static |
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 | |
getChainHydrophobicityThreshold() const | CDPL::Pharm::HydrophobicFeatureGenerator | |
getFeatureGeometry() const | CDPL::Pharm::HydrophobicFeatureGenerator | |
getFeatureTolerance() const | CDPL::Pharm::HydrophobicFeatureGenerator | |
getFeatureType() const | CDPL::Pharm::HydrophobicFeatureGenerator | |
getGroupHydrophobicityThreshold() const | CDPL::Pharm::HydrophobicFeatureGenerator | |
getRingHydrophobicityThreshold() const | CDPL::Pharm::HydrophobicFeatureGenerator | |
HydrophobicFeatureGenerator() | CDPL::Pharm::HydrophobicFeatureGenerator | |
HydrophobicFeatureGenerator(const HydrophobicFeatureGenerator &gen) | CDPL::Pharm::HydrophobicFeatureGenerator | |
HydrophobicFeatureGenerator(const Chem::MolecularGraph &molgraph, Pharmacophore &pharm) | CDPL::Pharm::HydrophobicFeatureGenerator | |
isContainedInExMatchList(const Util::BitSet &) const | CDPL::Pharm::PatternBasedFeatureGenerator | protected |
isContainedInIncMatchList(const Util::BitSet &) const | CDPL::Pharm::PatternBasedFeatureGenerator | protected |
operator=(const HydrophobicFeatureGenerator &gen) | CDPL::Pharm::HydrophobicFeatureGenerator | |
CDPL::Pharm::PatternBasedFeatureGenerator::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 |
setChainHydrophobicityThreshold(double thresh) | CDPL::Pharm::HydrophobicFeatureGenerator | |
setFeatureGeometry(unsigned int geom) | CDPL::Pharm::HydrophobicFeatureGenerator | |
setFeatureTolerance(double tol) | CDPL::Pharm::HydrophobicFeatureGenerator | |
setFeatureType(unsigned int type) | CDPL::Pharm::HydrophobicFeatureGenerator | |
setGroupHydrophobicityThreshold(double thresh) | CDPL::Pharm::HydrophobicFeatureGenerator | |
setRingHydrophobicityThreshold(double thresh) | CDPL::Pharm::HydrophobicFeatureGenerator | |
SharedPointer typedef | CDPL::Pharm::HydrophobicFeatureGenerator | |
~FeatureGenerator() | CDPL::Pharm::FeatureGenerator | inlinevirtual |
~HydrophobicFeatureGenerator() | CDPL::Pharm::HydrophobicFeatureGenerator | |
~PatternBasedFeatureGenerator() | CDPL::Pharm::PatternBasedFeatureGenerator | virtual |