CCDPL::Shape::AlignedColorTverskyScore | |
CCDPL::Shape::AlignedShapeTverskyScore | |
CCDPL::Shape::AlignedTotalOverlapTverskyScore | |
CCDPL::Shape::AlignedTverskyComboScore | |
CCDPL::Shape::AlignmentResult | |
CCDPL::ConfGen::TorsionRule::AngleEntry | |
CCDPL::Base::Any | A safe, type checked container for arbitrary data of variable type |
CCDPL::Util::Array< ValueType > | A dynamic array class providing amortized constant time access to arbitrary elements |
CCDPL::Util::Array< BitSet > | |
►CCDPL::Util::Array< MatchConstraint > | |
CCDPL::Chem::MatchConstraintList | MatchConstraintList |
CCDPL::Util::Array< MMFF94AngleBendingInteraction > | |
CCDPL::Util::Array< MMFF94BondStretchingInteraction > | |
CCDPL::Util::Array< MMFF94ElectrostaticInteraction > | |
CCDPL::Util::Array< MMFF94OutOfPlaneBendingInteraction > | |
CCDPL::Util::Array< MMFF94StretchBendInteraction > | |
CCDPL::Util::Array< MMFF94TorsionInteraction > | |
CCDPL::Util::Array< MMFF94VanDerWaalsInteraction > | |
CCDPL::Util::Array< StereoDescriptor > | |
►CCDPL::Util::Array< StringDataBlockEntry > | |
CCDPL::Chem::StringDataBlock | An array of Chem::StringDataBlockEntry objects used to store the structure or reaction data block of a STRING SD- or RD-File data record (see [CTFILE]) |
►CCDPL::Util::Array< typename ValueType::SharedPointer > | |
CCDPL::Util::IndirectArray< ValueType, PointerType, NullPointerCheck > | A dynamic array class for the storage of object pointers with an indirected query interface |
►CCDPL::Util::IndirectArray< ElectronSystem > | |
►CCDPL::Chem::ElectronSystemList | A data type for the storage of Chem::ElectronSystem objects |
CCDPL::Chem::PiElectronSystemList | Implements the perception of all pi electron systems present in a molecule |
►CCDPL::Util::IndirectArray< Fragment > | |
►CCDPL::Chem::FragmentList | A data type for the storage of Chem::Fragment objects |
CCDPL::Biomol::ResidueList | Implements the extraction of residues in biological macromolecules |
CCDPL::Chem::AromaticRingSet | Implements the perception of aromatic rings in a molecular graph |
CCDPL::Chem::AromaticSSSRSubset | Implements the extraction of the aromatic rings in the SSSR of a molecular graph |
CCDPL::Chem::CompleteRingSet | Implements the exhaustive perception of rings in a molecular graph |
CCDPL::Chem::ComponentSet | Implements the perception of molecular graph components |
CCDPL::Chem::ConnectedSubstructureSet | ConnectedSubstructureSet |
CCDPL::Chem::SmallestSetOfSmallestRings | Implements the perception of the Smallest Set of Smallest Rings (SSSR) of a molecular graphs |
CCDPL::ForceField::MMFF94AromaticSSSRSubset | Implements the extraction of all rings in the SSSR of a molecular graph that are aromatic according to MMFF94 conventions |
►CCDPL::Util::IndirectArray< GaussianShape > | |
CCDPL::Shape::GaussianShapeSet | |
►CCDPL::Util::IndirectArray< MatchExpression< ObjType, void > > | |
►CCDPL::Chem::MatchExpressionList< ObjType, void > | |
CCDPL::Chem::ANDMatchExpressionList< ObjType, void > | ANDMatchExpressionList |
CCDPL::Chem::ORMatchExpressionList< ObjType, void > | ORMatchExpressionList |
►CCDPL::Util::IndirectArray< MatchExpression< ObjType1, void > > | |
CCDPL::Chem::MatchExpressionList< ObjType1, ObjType2 > | A container for the storage and evaluation of logical match expression lists |
►CCDPL::Chem::MatchExpressionList< ObjType1, void > | |
CCDPL::Chem::ANDMatchExpressionList< ObjType1, ObjType2 > | ANDMatchExpressionList |
CCDPL::Chem::ORMatchExpressionList< ObjType1, ObjType2 > | ORMatchExpressionList |
►CCDPL::Util::Array< V > | |
CCDPL::Math::VectorArray< V > | An array for storing generic vector objects |
CCDPL::Chem::Atom2DCoordinatesCalculator | Atom2DCoordinatesCalculator |
CCDPL::Chem::Atom3DCoordinatesFunctor | Atom3DCoordinatesFunctor |
CCDPL::Chem::AtomArray3DCoordinatesFunctor | AtomArray3DCoordinatesFunctor |
CCDPL::Chem::AtomBondMapping | A data structure for the common storage of related atom to atom and bond to bond mappings |
CCDPL::Chem::AtomConformer3DCoordinatesFunctor | AtomConformer3DCoordinatesFunctor |
CCDPL::GRAIL::AtomDensityGridCalculator | AtomDensityGridCalculator |
CCDPL::Chem::AtomDictionary | A global dictionary for the lookup of data associated with the atom types defined in namespace Chem::AtomType |
CCDPL::MolProp::AtomHydrophobicityCalculator | AtomHydrophobicityCalculator |
CCDPL::Descr::AutoCorrelation2DVectorCalculator | AutoCorrelation2DVectorCalculator |
CCDPL::Descr::AutoCorrelation3DVectorCalculator< T > | AutoCorrelation3DVectorCalculator |
►CCDPL::Descr::AutoCorrelation3DVectorCalculator< Chem::Atom > | |
CCDPL::Descr::AtomAutoCorrelation3DVectorCalculator | AtomAutoCorrelation3DVectorCalculator |
►CCDPL::Descr::AutoCorrelation3DVectorCalculator< Pharm::Feature > | |
CCDPL::Descr::FeatureAutoCorrelation3DVectorCalculator | FeatureAutoCorrelation3DVectorCalculator |
CCDPL::Chem::AutomorphismGroupSearch | AutomorphismGroupSearch |
CCDPL::Descr::BCUTDescriptorCalculator | BCUTDescriptorCalculator |
CCDPL::Chem::BemisMurckoAnalyzer | BemisMurckoAnalyzer |
CCDPL::Math::BFGSMinimizer< VA, VT, FVT > | Fletcher's implementation of the BFGS method |
CCDPL::Math::BFGSMinimizer< QuaternionTransformation > | |
CCDPL::GRAIL::BindingAffinityCalculator | BindingAffinityCalculator |
►CCDPL::Chem::BondContainer | A common interface for data-structures that support a random access to stored Chem::Bond instances |
►CCDPL::Chem::Atom | Atom |
CCDPL::Chem::BasicAtom | BasicAtom |
►CCDPL::Chem::MolecularGraph | MolecularGraph |
►CCDPL::Chem::Fragment | Fragment |
►CCDPL::Biomol::HierarchyViewNode | HierarchyViewNode |
CCDPL::Biomol::HierarchyViewChain | HierarchyViewChain |
CCDPL::Biomol::HierarchyViewFragment | HierarchyViewFragment |
CCDPL::Biomol::HierarchyViewModel | HierarchyViewModel |
CCDPL::Chem::AromaticSubstructure | Implements the perception of aromatic atoms and bonds in a molecular graph |
CCDPL::Chem::CyclicSubstructure | Implements the perception of ring atoms and bonds in a molecular graph |
►CCDPL::Chem::Molecule | Molecule |
CCDPL::Chem::BasicMolecule | BasicMolecule |
CCDPL::ConfGen::CanonicalFragment | CanonicalFragment |
CCDPL::Chem::BondOrderCalculator | BondOrderCalculator |
CCDPL::Chem::PatternBasedTautomerizationRule::BondOrderChange | |
CCDPL::Chem::BondStereoFlagCalculator | BondStereoFlagCalculator |
CCDPL::Math::BoundedVector< T, N > | |
CCDPL::Util::BronKerboschAlgorithm | Implementation of the Bron-Kerbosch clique-detection algorithm [BKA] |
CCDPL::Vis::Brush | Specifies the fill pattern and fill color of shapes |
CCDPL::Descr::BurdenMatrixGenerator | BurdenMatrixGenerator |
CCDPL::GRAIL::BuriednessGridCalculator | BuriednessGridCalculator |
CCDPL::GRAIL::BuriednessScore | BuriednessScore |
CCDPL::Vis::CairoPointer< T > | A smart pointer managing the lifetime of allocated Cairo data structures |
CCDPL::Vis::CairoPointer< cairo_t > | |
CCDPL::Vis::CairoPointerTraits< T > | |
CCDPL::Vis::CairoPointerTraits< cairo_pattern_t > | Specialization of CairoPointerTraits for the object type cairo_pattern_t |
CCDPL::Vis::CairoPointerTraits< cairo_surface_t > | Specialization of CairoPointerTraits for the object type cairo_surface_t |
CCDPL::Vis::CairoPointerTraits< cairo_t > | Specialization of CairoPointerTraits for the object type cairo_t |
CCDPL::Chem::CanonicalNumberingCalculator | CanonicalNumberingCalculator |
CCDPL::Pharm::CationPiInteractionConstraint | CationPiInteractionConstraint |
CCDPL::Chem::ChEMBLStandardizer | Implementation of the ChEMBL structure preprocessing pipeline |
CCDPL::Chem::CIPConfigurationLabeler | CIPConfigurationLabeler |
CCDPL::Chem::CIPPriorityCalculator | CIPPriorityCalculator |
CCDPL::Descr::CircularFingerprintGenerator | CircularFingerprintGenerator |
CCDPL::Vis::Color | Specifies a color in terms of its red, green and blue components and an alpha-channel for transparency |
CCDPL::Shape::ColorTanimotoScore | |
CCDPL::Shape::ColorTverskyScore | |
CCDPL::Chem::CommonConnectedSubstructureSearch | CommonConnectedSubstructureSearch |
CCDPL::Math::CommonType< T1, T2 > | |
CCDPL::Math::ComplexTraits< T > | |
►CCDPL::Math::ComplexTraits< std::complex< T > > | |
CCDPL::Math::TypeTraits< std::complex< T > > | |
CCDPL::Util::CompressionAlgoTraits< CompAlgo > | |
CCDPL::Util::CompressionAlgoTraits< BZIP2 > | |
CCDPL::Util::CompressionAlgoTraits< GZIP > | |
CCDPL::ConfGen::ConformerGenerator | |
CCDPL::ConfGen::ConformerGeneratorSettings | |
►CCDPL::Base::ControlParameterContainer | A class providing methods for the storage and lookup of control-parameter values |
CCDPL::Base::ControlParameterList | A data structure for the storage and lookup of control-parameter values |
►CCDPL::Base::DataIOBase | Provides infrastructure for the registration of I/O callback functions |
CCDPL::Base::DataReader< T > | An interface for reading data objects of a given type from an arbitrary data source |
CCDPL::Base::DataWriter< T > | An interface for writing data objects of a given type to an arbitrary data sink |
►CCDPL::Base::DataReader< Chem::Molecule > | |
CCDPL::Pharm::PSDMoleculeReader | A reader for molecule data in the PSD-format of the CDPL |
►CCDPL::Util::StreamDataReader< Chem::Molecule, CFLMoleculeReader > | |
CCDPL::ConfGen::CFLMoleculeReader | A reader for molecule data in the native I/O format of the CDPL |
►CCDPL::Util::StreamDataReader< Chem::Molecule, MMTFMoleculeReader > | |
CCDPL::Biomol::MMTFMoleculeReader | A reader for molecule data in the Macromolecular Transmission Format (MMTF) [MMTF] |
►CCDPL::Util::StreamDataReader< Chem::Molecule, PDBMoleculeReader > | |
CCDPL::Biomol::PDBMoleculeReader | A reader for molecule data in the Brookhaven Protein Data Bank (PDB) [PDB] format |
►CCDPL::Base::DataReader< DataType > | |
CCDPL::Util::CompoundDataReader< DataType > | CompoundDataReader |
CCDPL::Util::MultiFormatDataReader< DataType > | MultiFormatDataReader |
►CCDPL::Util::StreamDataReader< DataType, ReaderImpl > | A helper class that implements Base::DataReader for std::istream based data readers |
CCDPL::Chem::CDFMoleculeReader | A reader for molecule data in the native I/O format of the CDPL |
CCDPL::Chem::INCHIMoleculeReader | A reader for molecule data in the IUPAC International Chemical Identifier (InChI) [INCHI] format |
CCDPL::Chem::SMARTSReactionReader | A reader for reaction data in the Daylight SMARTS [SMARTS] format |
CCDPL::Grid::CDFDRegularGridReader | A reader for spatial regular grid data in the native I/O format of the CDPL |
CCDPL::Grid::CDFDRegularGridSetReader | A reader for spatial regular grid set data in the native I/O format of the CDPL |
►CCDPL::Base::DataReader< DRegularGrid > | |
CCDPL::Util::StreamDataReader< DRegularGrid, CDFDRegularGridReader > | |
►CCDPL::Base::DataReader< DRegularGridSet > | |
CCDPL::Util::StreamDataReader< DRegularGridSet, CDFDRegularGridSetReader > | |
►CCDPL::Base::DataReader< Molecule > | |
CCDPL::Util::StreamDataReader< Molecule, CDFMoleculeReader > | |
CCDPL::Util::StreamDataReader< Molecule, INCHIMoleculeReader > | |
►CCDPL::Util::StreamDataReader< Molecule, JMEMoleculeReader > | |
CCDPL::Chem::JMEMoleculeReader | A reader for molecule data in the native I/O format of the JME Molecular Editor [JME] java applet |
►CCDPL::Util::StreamDataReader< Molecule, MOL2MoleculeReader > | |
CCDPL::Chem::MOL2MoleculeReader | |
►CCDPL::Util::StreamDataReader< Molecule, MOLMoleculeReader > | |
CCDPL::Chem::MOLMoleculeReader | A reader for molecule data in the MDL Mol-File [CTFILE] format |
►CCDPL::Util::StreamDataReader< Molecule, SDFMoleculeReader > | |
CCDPL::Chem::SDFMoleculeReader | A Reader for molecule data in the MDL SD-File [CTFILE] format |
►CCDPL::Util::StreamDataReader< Molecule, SMARTSMoleculeReader > | |
CCDPL::Chem::SMARTSMoleculeReader | A reader for molecule data in the Daylight SMARTS [SMARTS] format |
►CCDPL::Util::StreamDataReader< Molecule, SMILESMoleculeReader > | |
CCDPL::Chem::SMILESMoleculeReader | A reader for molecule data in the Daylight SMILES [SMILES] format |
►CCDPL::Util::StreamDataReader< Molecule, XYZMoleculeReader > | |
CCDPL::Chem::XYZMoleculeReader | |
►CCDPL::Base::DataReader< Pharmacophore > | |
CCDPL::Pharm::PSDPharmacophoreReader | A reader for pharmacophore data in the PSD-format of the CDPL |
►CCDPL::Util::StreamDataReader< Pharmacophore, CDFPharmacophoreReader > | |
CCDPL::Pharm::CDFPharmacophoreReader | A reader for pharmacophore data in the native I/O format of the CDPL |
►CCDPL::Util::StreamDataReader< Pharmacophore, PMLPharmacophoreReader > | |
CCDPL::Pharm::PMLPharmacophoreReader | A reader for pharmacophore data in the native I/O format of LigandScout |
►CCDPL::Base::DataReader< Reaction > | |
►CCDPL::Util::StreamDataReader< Reaction, CDFReactionReader > | |
CCDPL::Chem::CDFReactionReader | A reader for reaction data in the native I/O format of the CDPL |
►CCDPL::Util::StreamDataReader< Reaction, JMEReactionReader > | |
CCDPL::Chem::JMEReactionReader | A reader for reaction data in the native I/O format of the JME Molecular Editor [JME] java applet |
►CCDPL::Util::StreamDataReader< Reaction, RDFReactionReader > | |
CCDPL::Chem::RDFReactionReader | A reader for reaction data in the MDL RD-File [CTFILE] format |
►CCDPL::Util::StreamDataReader< Reaction, RXNReactionReader > | |
CCDPL::Chem::RXNReactionReader | A reader for reaction data in the MDL Rxn-File [CTFILE] format |
CCDPL::Util::StreamDataReader< Reaction, SMARTSReactionReader > | |
►CCDPL::Util::StreamDataReader< Reaction, SMILESReactionReader > | |
CCDPL::Chem::SMILESReactionReader | A reader for reaction data in the Daylight SMILES [SMILES] format |
►CCDPL::Base::DataReader< typename ReaderImpl::DataType > | |
CCDPL::Util::CompressedDataReader< ReaderImpl, DecompStream, DataType > | CompressedDataReader |
CCDPL::Util::FileDataReader< ReaderImpl, DataType > | FileDataReader |
►CCDPL::Base::DataWriter< Chem::MolecularGraph > | |
CCDPL::Biomol::MMTFMolecularGraphWriter | A writer for molecular graph data in the Macromolecular Transmission Format (MMTF) [MMTF] |
CCDPL::Biomol::PDBMolecularGraphWriter | A writer for molecular graph data in the Brookhaven Protein Data Bank (PDB) [PDB] format |
CCDPL::Pharm::PSDMolecularGraphWriter | A writer for molecular graph data in the PSD-format of the CDPL |
CCDPL::Vis::PDFMolecularGraphWriter | Creates 2D structure diagrams of molecular graphs in the Portable Document Format (PDF) [WPDF] |
CCDPL::Vis::PNGMolecularGraphWriter | Creates 2D structure diagrams of molecular graphs in the Portable Network Graphics (PNG) [WPNG] format |
CCDPL::Vis::PSMolecularGraphWriter | Creates 2D structure diagrams of molecular graphs in the PostScript (PS) [WPS] format |
CCDPL::Vis::SVGMolecularGraphWriter | Creates 2D structure diagrams of molecular graphs in the Scalable Vector Graphics (SVG) [WSVG] format |
►CCDPL::Base::DataWriter< Chem::Reaction > | |
CCDPL::Vis::PDFReactionWriter | Creates 2D depictions of chemical reactions in the Portable Document Format (PDF) [WPDF] |
CCDPL::Vis::PNGReactionWriter | Creates 2D depictions of chemical reactions in the Portable Network Graphics (PNG) [WPNG] format |
CCDPL::Vis::PSReactionWriter | Creates 2D depictions of chemical reactions in the PostScript (PS) [WPS] format |
CCDPL::Vis::SVGReactionWriter | Creates 2D depictions of chemical reactions in the Scalable Vector Graphics (SVG) [WSVG] format |
►CCDPL::Base::DataWriter< DataType > | |
CCDPL::Util::MultiFormatDataWriter< DataType > | MultiFormatDataWriter |
►CCDPL::Base::DataWriter< DRegularGrid > | |
CCDPL::Grid::CDFDRegularGridWriter | A writer for spatial regular grid data in the native I/O format of the CDPL |
►CCDPL::Base::DataWriter< DRegularGridSet > | |
CCDPL::Grid::CDFDRegularGridSetWriter | A writer for spatial regular grid set data in the native I/O format of the CDPL |
►CCDPL::Base::DataWriter< FeatureContainer > | |
CCDPL::Pharm::CDFFeatureContainerWriter | A writer for feature container data in the native I/O format of the CDPL |
CCDPL::Pharm::PMLFeatureContainerWriter | A writer for feature container data in the native I/O format of LigandScout |
►CCDPL::Base::DataWriter< MolecularGraph > | |
CCDPL::Chem::CDFMolecularGraphWriter | A writer for molecular graph data in the native I/O format of the CDPL |
CCDPL::Chem::INCHIMolecularGraphWriter | A writer for molecular graph data in the IUPAC International Chemical Identifier (InChI) [INCHI] format |
CCDPL::Chem::JMEMolecularGraphWriter | A writer for molecular graph data in the native I/O format of the JME Molecular Editor [JME] java applet |
CCDPL::Chem::MOL2MolecularGraphWriter | |
CCDPL::Chem::MOLMolecularGraphWriter | A writer for molecular graph data in the MDL Mol-File [CTFILE] format |
CCDPL::Chem::SDFMolecularGraphWriter | A writer for molecular graph data in the MDL Mol-File [CTFILE] format |
CCDPL::Chem::SMARTSMolecularGraphWriter | A writer for molecular graph data in the Daylight SMARTS [SMARTS] format |
CCDPL::Chem::SMILESMolecularGraphWriter | A writer for molecular graph data in the Daylight SMILES [SMILES] format |
CCDPL::Chem::XYZMolecularGraphWriter | |
►CCDPL::Base::DataWriter< Reaction > | |
CCDPL::Chem::CDFReactionWriter | A writer for molecular graph data in the native I/O format of the CDPL |
CCDPL::Chem::JMEReactionWriter | A writer for reaction data in the native I/O format of the JME Molecular Editor [JME] java applet |
CCDPL::Chem::RDFReactionWriter | A writer for reaction data in the MDL RD-File [CTFILE] format |
CCDPL::Chem::RXNReactionWriter | A writer for reaction data in the MDL Rxn-File [CTFILE] format |
CCDPL::Chem::SMARTSReactionWriter | A writer for reaction data in the Daylight SMARTS [SMARTS] format |
CCDPL::Chem::SMILESReactionWriter | A writer for reaction data in the Daylight SMILES [SMILES] format |
►CCDPL::Base::DataWriter< typename WriterImpl::DataType > | |
CCDPL::Util::CompressedDataWriter< WriterImpl, CompStream, DataType > | CompressedDataWriter |
CCDPL::Util::FileDataWriter< WriterImpl, DataType > | FileDataWriter |
►CCDPL::Vis::View2D | The abstract base of classes implementing the 2D visualization of data objects |
CCDPL::Vis::ReactionView2D | Implements the 2D visualization of chemical reactions |
CCDPL::Vis::StructureView2D | Implements the 2D visualization of chemical structures |
CCDPL::Math::CVector< T, N > | |
CCDPL::Base::DataFormat | Provides meta-information about a particular data storage format |
CCDPL::Base::DataInputHandler< T > | A factory interface providing methods for the creation of Base::DataReader instances handling a particular object type and storage format |
►CCDPL::Base::DataInputHandler< Chem::Molecule > | |
CCDPL::Pharm::PSDMoleculeInputHandler | A handler for the input of molecule data in the PSD-format of the CDPL |
►CCDPL::Base::DataInputHandler< Pharmacophore > | |
CCDPL::Pharm::PSDPharmacophoreInputHandler | A handler for the input of pharmacophore data in the PSD-format of the CDPL |
►CCDPL::Base::DataInputHandler< typename ReaderImpl::DataType > | |
CCDPL::Util::DefaultDataInputHandler< ReaderImpl, Format, DataType > | DefaultDataInputHandler |
CCDPL::Base::DataIOManager< T > | A singleton class that serves as a global registry for Base::DataInputHandler and Base::DataOutputHandler implementation instances |
CCDPL::Base::DataOutputHandler< T > | A factory interface providing methods for the creation of Base::DataWriter instances handling a particular object type and storage format |
►CCDPL::Base::DataOutputHandler< Chem::MolecularGraph > | |
CCDPL::Pharm::PSDMolecularGraphOutputHandler | A handler for the output of molecular graph dara in the PSD-format of the CDPL |
►CCDPL::Base::DataOutputHandler< typename WriterImpl::DataType > | |
CCDPL::Util::DefaultDataOutputHandler< WriterImpl, FORMAT, DataType > | DefaultDataOutputHandler |
CCDPL::Descr::PathFingerprintGenerator::DefAtomDescriptorFunctor | The default functor for the generation of atom descriptors |
CCDPL::Chem::HashCodeCalculator::DefAtomHashSeedFunctor | The default functor for the generation of atom hash seeds |
CCDPL::Descr::CircularFingerprintGenerator::DefAtomIdentifierFunctor | The functor for the generation of ECFP atom identifiers |
CCDPL::Util::ObjectPool< T >::DefaultConstructor | |
CCDPL::Util::ObjectStack< T >::DefaultConstructor | |
CCDPL::Util::ObjectPool< T >::DefaultDestructor | |
CCDPL::Descr::PathFingerprintGenerator::DefBondDescriptorFunctor | The default functor for the generation of bond descriptors |
CCDPL::Chem::HashCodeCalculator::DefBondHashSeedFunctor | The default functor for the generation of bond hash seeds |
CCDPL::Descr::CircularFingerprintGenerator::DefBondIdentifierFunctor | The default functor for the generation of bond identifiers |
CCDPL::Util::Dereferencer< ArgType, ResType > | An unary functor for the dereferenciation of pointers without null pointer checking |
CCDPL::ConfGen::DGConstraintGenerator | |
►CCDPL::ConfGen::DGConstraintGeneratorSettings | |
CCDPL::ConfGen::DGStructureGeneratorSettings | |
CCDPL::Util::DGCoordinatesGeneratorBase< Dim, T, Derived > | Base for classes dedicated to the generation of coordinates that fulfill user-provided point distance (and volume) constraints [ASPE] |
►CCDPL::Util::DGCoordinatesGeneratorBase< 3, T, DGCoordinatesGenerator< 3, T > > | |
CCDPL::Util::DGCoordinatesGenerator< 3, T > | Specialized implementation for the generation of 3D coordinates that fulfill user-provided point distance and volume constraints [ASPE] |
►CCDPL::Util::DGCoordinatesGeneratorBase< Dim, double, DGCoordinatesGenerator< Dim, double > > | |
CCDPL::Util::DGCoordinatesGenerator< 2, double > | |
►CCDPL::Util::DGCoordinatesGeneratorBase< Dim, T, DGCoordinatesGenerator< Dim, T > > | |
CCDPL::Util::DGCoordinatesGenerator< Dim, T > | Generic implementation for generation of coordinates that fulfill user-provided point distance constraints [ASPE] |
CCDPL::ConfGen::DGStructureGenerator | |
CCDPL::Math::DirectAssignmentProxy< C > | |
CCDPL::Util::DGCoordinatesGeneratorBase< Dim, T, Derived >::DistanceConstraint | |
CCDPL::ForceField::ElasticPotential | |
CCDPL::Shape::FastGaussianShapeAlignment::ShapeData::Element | |
CCDPL::Shape::GaussianShape::Element | |
►CCDPL::Chem::Entity3DContainer | A common interface for data-structures that support a random access to stored Chem::Entity3D instances |
►CCDPL::Chem::AtomContainer | A common interface for data-structures that support a random access to stored Chem::Atom instances |
CCDPL::Chem::Atom | Atom |
►CCDPL::Chem::Bond | Bond |
CCDPL::Chem::BasicBond | BasicBond |
CCDPL::Chem::ElectronSystem | Describes an electron system of a molecule in terms of involved atoms and their electron contributions |
CCDPL::Chem::MolecularGraph | MolecularGraph |
►CCDPL::Pharm::FeatureContainer | FeatureContainer |
CCDPL::Pharm::FeatureSet | FeatureSet |
►CCDPL::Pharm::Pharmacophore | Pharmacophore |
CCDPL::Pharm::BasicPharmacophore | BasicPharmacophore |
CCDPL::Chem::Entity3DCoordinatesFunctor | Entity3DCoordinatesFunctor |
CCDPL::ForceField::MMFF94AngleBendingParameterTable::Entry | |
CCDPL::ForceField::MMFF94AromaticAtomTypeDefinitionTable::Entry | |
CCDPL::ForceField::MMFF94AtomTypePropertyTable::Entry | |
CCDPL::ForceField::MMFF94BondChargeIncrementTable::Entry | |
CCDPL::ForceField::MMFF94BondStretchingParameterTable::Entry | |
CCDPL::ForceField::MMFF94BondStretchingRuleParameterTable::Entry | |
CCDPL::ForceField::MMFF94DefaultStretchBendParameterTable::Entry | |
CCDPL::ForceField::MMFF94FormalAtomChargeDefinitionTable::Entry | |
CCDPL::Chem::AtomDictionary::Entry | |
CCDPL::ForceField::MMFF94OutOfPlaneBendingParameterTable::Entry | |
CCDPL::ForceField::MMFF94PartialBondChargeIncrementTable::Entry | |
CCDPL::ForceField::MMFF94PrimaryToParameterAtomTypeMap::Entry | |
CCDPL::ForceField::MMFF94StretchBendParameterTable::Entry | |
CCDPL::ForceField::MMFF94SymbolicAtomTypePatternTable::Entry | |
CCDPL::ForceField::MMFF94TorsionParameterTable::Entry | |
CCDPL::ForceField::MMFF94VanDerWaalsParameterTable::Entry | |
CCDPL::ForceField::UFFAtomTypePropertyTable::Entry | |
CCDPL::Biomol::ResidueDictionary::Entry | |
►Cstd::exception | STL class |
►CCDPL::Base::Exception | The root of the CDPL exception hierarchy |
CCDPL::Base::BadCast | Thrown to indicate that a cast or conversion from a given source type to a requested target type is not possible |
CCDPL::Base::ItemNotFound | Thrown to indicate that some requested data item could not be found |
►CCDPL::Base::OperationFailed | Thrown to indicate that some requested operation has failed (e.g. due to unfulfilled preconditions or other errors) |
CCDPL::Base::CalculationFailed | Thrown to indicate that some requested calculation has failed |
CCDPL::Base::IOError | Thrown to indicate that an I/O operation has failed because of physical (e.g. broken pipe) or logical (e.g. invalid file format) errors |
►CCDPL::Base::ValueError | Thrown to indicate errors caused by some invalid value |
CCDPL::Base::NullPointerException | Thrown when an operation requires or expects a valid pointer but a null pointer was provided |
►CCDPL::Base::RangeError | Thrown to indicate that a value is out of range |
CCDPL::Base::IndexError | Thrown to indicate that an index is out of range |
CCDPL::Base::SizeError | Thrown to indicate that the size of a (multidimensional) array is not correct |
►CCDPL::ForceField::Error | |
CCDPL::ForceField::ParameterizationFailed | |
CCDPL::Chem::FragmentGenerator::ExcludePattern | |
►CCDPL::Math::Expression< E > | |
CCDPL::Math::GridExpression< E > | |
CCDPL::Math::MatrixExpression< E > | |
CCDPL::Math::QuaternionExpression< E > | |
CCDPL::Math::VectorExpression< E > | |
►CCDPL::Math::Expression< BoundedMatrix< T, M, N > > | |
►CCDPL::Math::MatrixExpression< BoundedMatrix< T, M, N > > | |
►CCDPL::Math::MatrixContainer< BoundedMatrix< T, M, N > > | |
CCDPL::Math::BoundedMatrix< T, M, N > | |
►CCDPL::Math::Expression< C > | |
►CCDPL::Math::GridExpression< C > | |
CCDPL::Math::GridContainer< C > | |
►CCDPL::Math::MatrixExpression< C > | |
CCDPL::Math::MatrixContainer< C > | |
►CCDPL::Math::QuaternionExpression< C > | |
CCDPL::Math::QuaternionContainer< C > | |
►CCDPL::Math::VectorExpression< C > | |
CCDPL::Math::VectorContainer< C > | |
►CCDPL::Math::Expression< CMatrix< T, M, N > > | |
►CCDPL::Math::MatrixExpression< CMatrix< T, M, N > > | |
►CCDPL::Math::MatrixContainer< CMatrix< T, M, N > > | |
CCDPL::Math::CMatrix< T, M, N > | |
►CCDPL::Math::Expression< CMatrix< typename TypeTraits< T >::RealType, M, N > > | |
►CCDPL::Math::MatrixExpression< CMatrix< typename TypeTraits< T >::RealType, M, N > > | |
►CCDPL::Math::MatrixContainer< CMatrix< typename TypeTraits< T >::RealType, M, N > > | |
CCDPL::Math::CMatrix< typename TypeTraits< T >::RealType, 4, 4 > | |
►CCDPL::Math::Expression< Grid< T, std::vector< T > > > | |
►CCDPL::Math::GridExpression< Grid< T, std::vector< T > > > | |
►CCDPL::Math::GridContainer< Grid< T, std::vector< T > > > | |
CCDPL::Math::Grid< T, A > | |
CCDPL::Math::Grid< T > | |
►CCDPL::Math::Expression< GridBinary1< E1, E2, F > > | |
►CCDPL::Math::GridExpression< GridBinary1< E1, E2, F > > | |
CCDPL::Math::GridBinary1< E1, E2, F > | |
►CCDPL::Math::Expression< GridReference< G > > | |
►CCDPL::Math::GridExpression< GridReference< G > > | |
CCDPL::Math::GridReference< G > | |
►CCDPL::Math::Expression< GridUnary< E, F > > | |
►CCDPL::Math::GridExpression< GridUnary< E, F > > | |
CCDPL::Math::GridUnary< E, F > | |
►CCDPL::Math::Expression< HomogenousCoordsAdapter< V > > | |
►CCDPL::Math::VectorExpression< HomogenousCoordsAdapter< V > > | |
CCDPL::Math::HomogenousCoordsAdapter< V > | |
►CCDPL::Math::Expression< IdentityMatrix< T > > | |
►CCDPL::Math::MatrixExpression< IdentityMatrix< T > > | |
►CCDPL::Math::MatrixContainer< IdentityMatrix< T > > | |
CCDPL::Math::IdentityMatrix< T > | |
►CCDPL::Math::Expression< InitListMatrix< T > > | |
►CCDPL::Math::MatrixExpression< InitListMatrix< T > > | |
►CCDPL::Math::MatrixContainer< InitListMatrix< T > > | |
CCDPL::Math::InitListMatrix< T > | |
►CCDPL::Math::Expression< InitListVector< T > > | |
►CCDPL::Math::VectorExpression< InitListVector< T > > | |
►CCDPL::Math::VectorContainer< InitListVector< T > > | |
CCDPL::Math::InitListVector< T > | |
►CCDPL::Math::Expression< Matrix1VectorBinary< E1, E2, F > > | |
►CCDPL::Math::VectorExpression< Matrix1VectorBinary< E1, E2, F > > | |
CCDPL::Math::Matrix1VectorBinary< E1, E2, F > | |
►CCDPL::Math::Expression< Matrix2VectorBinary< E1, E2, F > > | |
►CCDPL::Math::VectorExpression< Matrix2VectorBinary< E1, E2, F > > | |
CCDPL::Math::Matrix2VectorBinary< E1, E2, F > | |
►CCDPL::Math::Expression< MatrixBinary1< E1, E2, F > > | |
►CCDPL::Math::MatrixExpression< MatrixBinary1< E1, E2, F > > | |
CCDPL::Math::MatrixBinary1< E1, E2, F > | |
►CCDPL::Math::Expression< MatrixBinary2< E1, E2, F > > | |
►CCDPL::Math::MatrixExpression< MatrixBinary2< E1, E2, F > > | |
CCDPL::Math::MatrixBinary2< E1, E2, F > | |
►CCDPL::Math::Expression< MatrixColumn< M > > | |
►CCDPL::Math::VectorExpression< MatrixColumn< M > > | |
CCDPL::Math::MatrixColumn< M > | |
►CCDPL::Math::Expression< MatrixRange< M > > | |
►CCDPL::Math::MatrixExpression< MatrixRange< M > > | |
CCDPL::Math::MatrixRange< M > | |
►CCDPL::Math::Expression< MatrixRow< M > > | |
►CCDPL::Math::VectorExpression< MatrixRow< M > > | |
CCDPL::Math::MatrixRow< M > | |
►CCDPL::Math::Expression< MatrixSlice< M > > | |
►CCDPL::Math::MatrixExpression< MatrixSlice< M > > | |
CCDPL::Math::MatrixSlice< M > | |
►CCDPL::Math::Expression< MatrixTranspose< M > > | |
►CCDPL::Math::MatrixExpression< MatrixTranspose< M > > | |
CCDPL::Math::MatrixTranspose< M > | |
►CCDPL::Math::Expression< MatrixUnary< E, F > > | |
►CCDPL::Math::MatrixExpression< MatrixUnary< E, F > > | |
CCDPL::Math::MatrixUnary< E, F > | |
►CCDPL::Math::Expression< MatrixVectorArrayAdapter > | |
CCDPL::Math::MatrixExpression< MatrixVectorArrayAdapter > | |
►CCDPL::Math::Expression< Quaternion< T > > | |
►CCDPL::Math::QuaternionExpression< Quaternion< T > > | |
►CCDPL::Math::QuaternionContainer< Quaternion< T > > | |
CCDPL::Math::Quaternion< T > | |
►CCDPL::Math::Expression< QuaternionBinary1< E1, E2, F > > | |
►CCDPL::Math::QuaternionExpression< QuaternionBinary1< E1, E2, F > > | |
CCDPL::Math::QuaternionBinary1< E1, E2, F > | |
►CCDPL::Math::Expression< QuaternionBinary2< E1, E2, F > > | |
►CCDPL::Math::QuaternionExpression< QuaternionBinary2< E1, E2, F > > | |
CCDPL::Math::QuaternionBinary2< E1, E2, F > | |
►CCDPL::Math::Expression< QuaternionReference< Q > > | |
►CCDPL::Math::QuaternionExpression< QuaternionReference< Q > > | |
CCDPL::Math::QuaternionReference< Q > | |
►CCDPL::Math::Expression< QuaternionUnary1< E, F > > | |
►CCDPL::Math::QuaternionExpression< QuaternionUnary1< E, F > > | |
CCDPL::Math::QuaternionUnary1< E, F > | |
►CCDPL::Math::Expression< QuaternionUnary2< E, F > > | |
►CCDPL::Math::QuaternionExpression< QuaternionUnary2< E, F > > | |
CCDPL::Math::QuaternionUnary2< E, F > | |
►CCDPL::Math::Expression< QuaternionVectorAdapter< Q > > | |
►CCDPL::Math::VectorExpression< QuaternionVectorAdapter< Q > > | |
CCDPL::Math::QuaternionVectorAdapter< Q > | |
►CCDPL::Math::Expression< QuaternionVectorBinary< E1, E2, F > > | |
►CCDPL::Math::VectorExpression< QuaternionVectorBinary< E1, E2, F > > | |
CCDPL::Math::QuaternionVectorBinary< E1, E2, F > | |
►CCDPL::Math::Expression< RealQuaternion< T > > | |
►CCDPL::Math::QuaternionExpression< RealQuaternion< T > > | |
►CCDPL::Math::QuaternionContainer< RealQuaternion< T > > | |
CCDPL::Math::RealQuaternion< T > | |
►CCDPL::Math::Expression< RegularSpatialGrid< T, typename TypeTraits< T >::RealType, Grid< T >, CMatrix< typename TypeTraits< T >::RealType, 4, 4 > > > | |
►CCDPL::Math::GridExpression< RegularSpatialGrid< T, typename TypeTraits< T >::RealType, Grid< T >, CMatrix< typename TypeTraits< T >::RealType, 4, 4 > > > | |
CCDPL::Math::RegularSpatialGrid< T, C, GD, XF > | |
►CCDPL::Math::Expression< RotationMatrix< T > > | |
►CCDPL::Math::MatrixExpression< RotationMatrix< T > > | |
►CCDPL::Math::MatrixContainer< RotationMatrix< T > > | |
CCDPL::Math::RotationMatrix< T > | |
►CCDPL::Math::Expression< Scalar13QuaternionTernary< E1, E2, E3, F > > | |
►CCDPL::Math::QuaternionExpression< Scalar13QuaternionTernary< E1, E2, E3, F > > | |
CCDPL::Math::Scalar13QuaternionTernary< E1, E2, E3, F > | |
►CCDPL::Math::Expression< Scalar1GridBinary< E1, E2, F > > | |
►CCDPL::Math::GridExpression< Scalar1GridBinary< E1, E2, F > > | |
CCDPL::Math::Scalar1GridBinary< E1, E2, F > | |
►CCDPL::Math::Expression< Scalar1MatrixBinary< E1, E2, F > > | |
►CCDPL::Math::MatrixExpression< Scalar1MatrixBinary< E1, E2, F > > | |
CCDPL::Math::Scalar1MatrixBinary< E1, E2, F > | |
►CCDPL::Math::Expression< Scalar1QuaternionBinary1< E1, E2, F > > | |
►CCDPL::Math::QuaternionExpression< Scalar1QuaternionBinary1< E1, E2, F > > | |
CCDPL::Math::Scalar1QuaternionBinary1< E1, E2, F > | |
►CCDPL::Math::Expression< Scalar1QuaternionBinary2< E1, E2, F > > | |
►CCDPL::Math::QuaternionExpression< Scalar1QuaternionBinary2< E1, E2, F > > | |
CCDPL::Math::Scalar1QuaternionBinary2< E1, E2, F > | |
►CCDPL::Math::Expression< Scalar1VectorBinary< E1, E2, F > > | |
►CCDPL::Math::VectorExpression< Scalar1VectorBinary< E1, E2, F > > | |
CCDPL::Math::Scalar1VectorBinary< E1, E2, F > | |
►CCDPL::Math::Expression< Scalar2GridBinary< E1, E2, F > > | |
►CCDPL::Math::GridExpression< Scalar2GridBinary< E1, E2, F > > | |
CCDPL::Math::Scalar2GridBinary< E1, E2, F > | |
►CCDPL::Math::Expression< Scalar2MatrixBinary< E1, E2, F > > | |
►CCDPL::Math::MatrixExpression< Scalar2MatrixBinary< E1, E2, F > > | |
CCDPL::Math::Scalar2MatrixBinary< E1, E2, F > | |
►CCDPL::Math::Expression< Scalar2QuaternionBinary1< E1, E2, F > > | |
►CCDPL::Math::QuaternionExpression< Scalar2QuaternionBinary1< E1, E2, F > > | |
CCDPL::Math::Scalar2QuaternionBinary1< E1, E2, F > | |
►CCDPL::Math::Expression< Scalar2QuaternionBinary2< E1, E2, F > > | |
►CCDPL::Math::QuaternionExpression< Scalar2QuaternionBinary2< E1, E2, F > > | |
CCDPL::Math::Scalar2QuaternionBinary2< E1, E2, F > | |
►CCDPL::Math::Expression< Scalar2VectorBinary< E1, E2, F > > | |
►CCDPL::Math::VectorExpression< Scalar2VectorBinary< E1, E2, F > > | |
CCDPL::Math::Scalar2VectorBinary< E1, E2, F > | |
►CCDPL::Math::Expression< Scalar3QuaternionTernary< E1, E2, E3, F > > | |
►CCDPL::Math::QuaternionExpression< Scalar3QuaternionTernary< E1, E2, E3, F > > | |
CCDPL::Math::Scalar3QuaternionTernary< E1, E2, E3, F > | |
►CCDPL::Math::Expression< ScalarGrid< T > > | |
►CCDPL::Math::GridExpression< ScalarGrid< T > > | |
►CCDPL::Math::GridContainer< ScalarGrid< T > > | |
CCDPL::Math::ScalarGrid< T > | |
►CCDPL::Math::Expression< ScalarMatrix< T > > | |
►CCDPL::Math::MatrixExpression< ScalarMatrix< T > > | |
►CCDPL::Math::MatrixContainer< ScalarMatrix< T > > | |
CCDPL::Math::ScalarMatrix< T > | |
►CCDPL::Math::Expression< ScalarVector< T > > | |
►CCDPL::Math::VectorExpression< ScalarVector< T > > | |
►CCDPL::Math::VectorContainer< ScalarVector< T > > | |
CCDPL::Math::ScalarVector< T > | |
►CCDPL::Math::Expression< ScalingMatrix< T > > | |
►CCDPL::Math::MatrixExpression< ScalingMatrix< T > > | |
►CCDPL::Math::MatrixContainer< ScalingMatrix< T > > | |
CCDPL::Math::ScalingMatrix< T > | |
►CCDPL::Math::Expression< SparseMatrix< T, std::unordered_map< std::uint64_t, T > > > | |
►CCDPL::Math::MatrixExpression< SparseMatrix< T, std::unordered_map< std::uint64_t, T > > > | |
►CCDPL::Math::MatrixContainer< SparseMatrix< T, std::unordered_map< std::uint64_t, T > > > | |
CCDPL::Math::SparseMatrix< T, A > | |
►CCDPL::Math::Expression< SparseVector< T, std::unordered_map< std::size_t, T > > > | |
►CCDPL::Math::VectorExpression< SparseVector< T, std::unordered_map< std::size_t, T > > > | |
►CCDPL::Math::VectorContainer< SparseVector< T, std::unordered_map< std::size_t, T > > > | |
CCDPL::Math::SparseVector< T, A > | |
►CCDPL::Math::Expression< TranslationMatrix< T > > | |
►CCDPL::Math::MatrixExpression< TranslationMatrix< T > > | |
►CCDPL::Math::MatrixContainer< TranslationMatrix< T > > | |
CCDPL::Math::TranslationMatrix< T > | |
►CCDPL::Math::Expression< TriangularAdapter< M, Tri > > | |
►CCDPL::Math::MatrixExpression< TriangularAdapter< M, Tri > > | |
CCDPL::Math::TriangularAdapter< M, Tri > | |
►CCDPL::Math::Expression< UnitVector< T > > | |
►CCDPL::Math::VectorExpression< UnitVector< T > > | |
►CCDPL::Math::VectorContainer< UnitVector< T > > | |
CCDPL::Math::UnitVector< T > | |
►CCDPL::Math::Expression< VectorBinary1< E1, E2, F > > | |
►CCDPL::Math::VectorExpression< VectorBinary1< E1, E2, F > > | |
CCDPL::Math::VectorBinary1< E1, E2, F > | |
►CCDPL::Math::Expression< VectorBinary2< E1, E2, F > > | |
►CCDPL::Math::VectorExpression< VectorBinary2< E1, E2, F > > | |
CCDPL::Math::VectorBinary2< E1, E2, F > | |
►CCDPL::Math::Expression< VectorMatrixBinary< E1, E2, F > > | |
►CCDPL::Math::MatrixExpression< VectorMatrixBinary< E1, E2, F > > | |
CCDPL::Math::VectorMatrixBinary< E1, E2, F > | |
►CCDPL::Math::Expression< VectorMatrixUnary< E, F > > | |
►CCDPL::Math::MatrixExpression< VectorMatrixUnary< E, F > > | |
CCDPL::Math::VectorMatrixUnary< E, F > | |
►CCDPL::Math::Expression< VectorQuaternionAdapter< V > > | |
►CCDPL::Math::QuaternionExpression< VectorQuaternionAdapter< V > > | |
CCDPL::Math::VectorQuaternionAdapter< V > | |
►CCDPL::Math::Expression< VectorRange< V > > | |
►CCDPL::Math::VectorExpression< VectorRange< V > > | |
CCDPL::Math::VectorRange< V > | |
►CCDPL::Math::Expression< VectorReference< V > > | |
►CCDPL::Math::VectorExpression< VectorReference< V > > | |
CCDPL::Math::VectorReference< V > | |
►CCDPL::Math::Expression< VectorSlice< V > > | |
►CCDPL::Math::VectorExpression< VectorSlice< V > > | |
CCDPL::Math::VectorSlice< V > | |
►CCDPL::Math::Expression< VectorUnary< E, F > > | |
►CCDPL::Math::VectorExpression< VectorUnary< E, F > > | |
CCDPL::Math::VectorUnary< E, F > | |
►CCDPL::Math::Expression< ZeroGrid< T > > | |
►CCDPL::Math::GridExpression< ZeroGrid< T > > | |
►CCDPL::Math::GridContainer< ZeroGrid< T > > | |
CCDPL::Math::ZeroGrid< T > | |
►CCDPL::Math::Expression< ZeroMatrix< T > > | |
►CCDPL::Math::MatrixExpression< ZeroMatrix< T > > | |
►CCDPL::Math::MatrixContainer< ZeroMatrix< T > > | |
CCDPL::Math::ZeroMatrix< T > | |
►CCDPL::Math::Expression< ZeroVector< T > > | |
►CCDPL::Math::VectorExpression< ZeroVector< T > > | |
►CCDPL::Math::VectorContainer< ZeroVector< T > > | |
CCDPL::Math::ZeroVector< T > | |
CCDPL::Shape::FastGaussianShapeAlignment | |
►CCDPL::Pharm::FeatureDistanceConstraint | FeatureDistanceConstraint |
CCDPL::Pharm::HydrophobicInteractionConstraint | HydrophobicInteractionConstraint |
CCDPL::Pharm::IonicInteractionConstraint | IonicInteractionConstraint |
►CCDPL::Pharm::FeatureGenerator | FeatureGenerator |
►CCDPL::Pharm::PatternBasedFeatureGenerator | PatternBasedFeatureGenerator |
CCDPL::Pharm::AromaticFeatureGenerator | AromaticFeatureGenerator |
CCDPL::Pharm::HBondAcceptorFeatureGenerator | HBondAcceptorFeatureGenerator |
CCDPL::Pharm::HBondDonorFeatureGenerator | HBondDonorFeatureGenerator |
CCDPL::Pharm::HydrophobicAtomFeatureGenerator | HydrophobicAtomFeatureGenerator |
CCDPL::Pharm::HydrophobicFeatureGenerator | HydrophobicFeatureGenerator |
CCDPL::Pharm::NegIonizableFeatureGenerator | NegIonizableFeatureGenerator |
CCDPL::Pharm::PosIonizableFeatureGenerator | PosIonizableFeatureGenerator |
CCDPL::Pharm::XBondAcceptorFeatureGenerator | XBondAcceptorFeatureGenerator |
CCDPL::Pharm::XBondDonorFeatureGenerator | XBondDonorFeatureGenerator |
CCDPL::Pharm::FeatureGeometryMatchFunctor | FeatureGeometryMatchFunctor |
►CCDPL::Pharm::FeatureInteractionScore | FeatureInteractionScore |
CCDPL::Pharm::CationPiInteractionScore | CationPiInteractionScore |
►CCDPL::Pharm::FeatureDistanceScore | FeatureDistanceScore |
CCDPL::Pharm::HydrophobicInteractionScore | HydrophobicInteractionScore |
CCDPL::Pharm::IonicInteractionScore | IonicInteractionScore |
CCDPL::Pharm::FeatureInteractionScoreCombiner | FeatureInteractionScoreCombiner |
CCDPL::Pharm::HBondingInteractionScore | HBondingInteractionScore |
CCDPL::Pharm::OrthogonalPiPiInteractionScore | OrthogonalPiPiInteractionScore |
CCDPL::Pharm::ParallelPiPiInteractionScore | ParallelPiPiInteractionScore |
CCDPL::Pharm::XBondingInteractionScore | XBondingInteractionScore |
CCDPL::GRAIL::FeatureInteractionScoreGridCalculator | FeatureInteractionScoreGridCalculator |
CCDPL::Pharm::FeaturePairDistanceMatchFunctor | FeaturePairDistanceMatchFunctor |
CCDPL::Pharm::FeaturePositionMatchFunctor | FeaturePositionMatchFunctor |
CCDPL::Pharm::FeatureTypeMatchFunctor | FeatureTypeMatchFunctor |
CCDPL::Util::FileRemover | |
CCDPL::Pharm::FileScreeningHitCollector | FileScreeningHitCollector |
CCDPL::Vis::Font | Specifies a font for drawing text |
►CCDPL::Vis::FontMetrics | An interface class with methods that provide information about the metrics of a font |
CCDPL::Vis::CairoFontMetrics | Implements the FontMetrics interface for the Cairo rendering backend |
CCDPL::Vis::QtFontMetrics | Implements the FontMetrics interface for the Qt rendering backend |
CCDPL::ConfGen::FragmentAssembler | |
CCDPL::ConfGen::FragmentAssemblerSettings | |
CCDPL::Chem::FragmentGenerator::FragmentationRule | |
CCDPL::ConfGen::FragmentConformerGenerator | |
CCDPL::ConfGen::FragmentConformerGeneratorSettings | |
►CCDPL::Chem::FragmentGenerator | FragmentGenerator |
CCDPL::Chem::BRICSFragmentGenerator | BRICSFragmentGenerator |
CCDPL::Chem::RECAPFragmentGenerator | RECAPFragmentGenerator |
CCDPL::ConfGen::FragmentLibrary | |
CCDPL::ConfGen::FragmentLibraryEntry | FragmentLibraryEntry |
CCDPL::ConfGen::FragmentLibraryGenerator | FragmentLibraryGenerator |
CCDPL::Chem::FragmentGenerator::FragmentLink | |
CCDPL::ConfGen::FragmentConformerGeneratorSettings::FragmentSettings | |
CCDPL::Shape::GaussianShapeAlignment | |
►CCDPL::Shape::GaussianShapeAlignmentStartGenerator | |
CCDPL::Shape::PrincipalAxesAlignmentStartGenerator | |
CCDPL::Shape::GaussianShapeFunction | |
CCDPL::Shape::GaussianShapeFunctionAlignment | |
CCDPL::Shape::GaussianShapeGenerator | |
►CCDPL::Shape::GaussianShapeOverlapFunction | |
CCDPL::Shape::ExactGaussianShapeOverlapFunction | |
CCDPL::Shape::FastGaussianShapeOverlapFunction | |
CCDPL::GRAIL::GeneralizedBellAtomDensity | GeneralizedBellAtomDensity |
CCDPL::ForceField::GradientVectorTraits< GV > | |
CCDPL::ForceField::GradientVectorTraits< Math::VectorArray< V > > | |
CCDPL::ForceField::GradientVectorTraits< std::vector< V > > | |
CCDPL::GRAIL::GRAILDataSetGenerator | GRAILDataSetGenerator |
CCDPL::GRAIL::GRAILDescriptorCalculator | GRAILDescriptorCalculator |
CCDPL::GRAIL::GRAILXDescriptorCalculator | GRAILXDescriptorCalculator |
►CCDPL::Vis::GraphicsPrimitive2D | The abstract base class of all 2D graphics primitives |
CCDPL::Vis::ClipPathPrimitive2D | A graphics primitive representing a clipping region in 2D space |
CCDPL::Vis::EllipsePrimitive2D | A graphics primitive representing a ellipse |
CCDPL::Vis::LinePrimitive2D | A graphics primitive representing a single line |
CCDPL::Vis::LineSegmentListPrimitive2D | A graphics primitive representing a list of disjoint line segments |
CCDPL::Vis::PathPrimitive2D | A graphics primitive representing an arbitrary path in 2D space |
CCDPL::Vis::PointListPrimitive2D | A graphics primitive representing a list of points |
CCDPL::Vis::PolygonPrimitive2D | A graphics primitive representing a polygon |
CCDPL::Vis::PolylinePrimitive2D | A graphics primitive representing a set of connected line segments |
CCDPL::Vis::TextLabelPrimitive2D | A graphics primitive representing a text label |
CCDPL::Chem::CompleteRingSet::Node::GreaterCmpFunc | |
CCDPL::Math::GridBinary1Traits< E1, E2, F > | |
►CCDPL::Math::GridBooleanBinaryFunctor< G1, G2 > | |
CCDPL::Math::GridEquality< G1, G2 > | |
CCDPL::Math::GridCoordinatesMatrixTransformTraits< MatrixType > | |
►CCDPL::Math::GridCoordinatesMatrixTransformTraits< BoundedMatrix< T, 4, 4 > > | |
CCDPL::Math::GridCoordinatesTransformTraits< BoundedMatrix< T, 4, 4 > > | |
►CCDPL::Math::GridCoordinatesMatrixTransformTraits< CMatrix< T, 4, 4 > > | |
CCDPL::Math::GridCoordinatesTransformTraits< CMatrix< T, 4, 4 > > | |
CCDPL::Math::GridCoordinatesTransformTraits< T > | |
CCDPL::Math::GridScalarUnaryFunctor< M > | |
►CCDPL::Math::GridScalarUnaryFunctor< G > | |
CCDPL::Math::GridElementSum< G > | |
►CCDPL::Math::GridTemporaryTraits< G > | |
CCDPL::Math::GridTemporaryTraits< const GridReference< G > > | |
CCDPL::Math::GridTemporaryTraits< GridReference< G > > | |
CCDPL::Math::GridUnaryTraits< E, F > | |
CCDPL::Chem::HashCodeCalculator | HashCodeCalculator |
CCDPL::Base::LookupKey::HashFunc | A functor class implementing the generation of hash codes for LookupKey instances |
CCDPL::MolProp::HBondAcceptorAtomTyper | |
CCDPL::MolProp::HBondDonorAtomTyper | |
CCDPL::Pharm::HBondingInteractionConstraint | HBondingInteractionConstraint |
CCDPL::Biomol::HierarchyView | A datastructure allowing a hierarchical view on biological macromolecules |
CCDPL::Chem::Hydrogen3DCoordinatesCalculator | Hydrogen3DCoordinatesCalculator |
►CCDPL::Vis::ImageWriter | |
CCDPL::Vis::PDFMolecularGraphWriter | Creates 2D structure diagrams of molecular graphs in the Portable Document Format (PDF) [WPDF] |
CCDPL::Vis::PDFReactionWriter | Creates 2D depictions of chemical reactions in the Portable Document Format (PDF) [WPDF] |
CCDPL::Vis::PNGMolecularGraphWriter | Creates 2D structure diagrams of molecular graphs in the Portable Network Graphics (PNG) [WPNG] format |
CCDPL::Vis::PNGReactionWriter | Creates 2D depictions of chemical reactions in the Portable Network Graphics (PNG) [WPNG] format |
CCDPL::Vis::PSMolecularGraphWriter | Creates 2D structure diagrams of molecular graphs in the PostScript (PS) [WPS] format |
CCDPL::Vis::PSReactionWriter | Creates 2D depictions of chemical reactions in the PostScript (PS) [WPS] format |
CCDPL::Vis::SVGMolecularGraphWriter | Creates 2D structure diagrams of molecular graphs in the Scalable Vector Graphics (SVG) [WSVG] format |
CCDPL::Vis::SVGReactionWriter | Creates 2D depictions of chemical reactions in the Scalable Vector Graphics (SVG) [WSVG] format |
►CCDPL::Pharm::InteractionAnalyzer | InteractionAnalyzer |
CCDPL::Pharm::DefaultInteractionAnalyzer | DefaultInteractionAnalyzer |
CCDPL::Pharm::InteractionConstraintConnector | InteractionConstraintConnector |
CCDPL::Pharm::InteractionPharmacophoreGenerator | InteractionPharmacophoreGenerator |
►Cstd::ios_base | STL class |
►Cstd::basic_ios< Char > | STL class |
►Cstd::basic_istream< Char > | STL class |
►CCDPL::Util::CompressionStreamBase< CompAlgo, std::basic_istream< char, std::char_traits< char > > > | |
CCDPL::Util::DecompressionIStream< CompAlgo, CharT, TraitsT > | |
►Cstd::basic_iostream< Char > | STL class |
►CCDPL::Util::CompressionStreamBase< CompAlgo, std::basic_iostream< char, std::char_traits< char > > > | |
CCDPL::Util::CompressedIOStream< CompAlgo, CharT, TraitsT > | |
►Cstd::basic_ostream< Char > | STL class |
►CCDPL::Util::CompressionStreamBase< CompAlgo, std::basic_ostream< char, std::char_traits< char > > > | |
CCDPL::Util::CompressionOStream< CompAlgo, CharT, TraitsT > | |
Cstd::basic_iostream< Char > | STL class |
►Cis_arithmetic | |
CCDPL::Math::IsScalar< T > | |
CCDPL::Math::IsScalar< std::complex< T > > | |
►Citerator_facade | |
CCDPL::Util::IndexedElementIterator< ValueType, AccessFunc, IndexType > | A STL compatible random access iterator for container elements accessible by index |
CCDPL::Math::KabschAlgorithm< T > | Implementation of the Kabsch algorithm [KABA] |
CCDPL::Math::KabschAlgorithm< double > | |
CCDPL::Math::KabschAlgorithm< ValueType > | |
CCDPL::Chem::KekuleStructureCalculator | KekuleStructureCalculator |
CCDPL::Chem::CanonicalNumberingCalculator::AtomNode::LessCmpFunc | |
CCDPL::Chem::CanonicalNumberingCalculator::Edge::LessCmpFunc | |
CCDPL::Chem::CIPPriorityCalculator::AtomNode::LessCmpFunc | |
CCDPL::Chem::SmallestSetOfSmallestRings::PathMessage::LessCmpFunc | |
►CCDPL::Vis::Line2D | Specifies a line segment in 2D space |
CCDPL::Vis::LinePrimitive2D | A graphics primitive representing a single line |
CCDPL::MolProp::LogSCalculator | LogSCalculator |
CCDPL::Base::LookupKey | An unique lookup key for control-parameter and property values |
CCDPL::Math::Lower | |
CCDPL::Util::Map< Key, Value, AllowDefValues, KeyCompFunc > | A unique sorted associative container that maps keys to values |
►CCDPL::Util::Map< std::size_t, Color > | |
CCDPL::Vis::ColorTable | A container for the storage and lookup of Vis::Color objects that are associated with a numeric identifier |
CCDPL::Util::Map< std::size_t, double > | |
►CCDPL::Util::Map< unsigned int, double, true > | |
CCDPL::MolProp::MassComposition | A data type for the storage of mass percent compositions of chemical compounds |
►CCDPL::Util::Map< unsigned int, std::size_t, true > | |
CCDPL::MolProp::ElementHistogram | A data type for the storage of element histograms of chemical compounds |
CCDPL::Pharm::FeatureTypeHistogram | A data type for the storage of feature type histograms of pharmacophores |
CCDPL::Util::MapDefaultValue< ValueType, Allow > | |
CCDPL::Util::MapDefaultValue< ValueType, false > | |
CCDPL::Chem::MatchConstraint | MatchConstraint |
CCDPL::Chem::MatchExpression< ObjType1, ObjType2 > | A generic boolean expression interface for the implementation of query/target object equivalence tests in molecular graph matching algorithms |
►CCDPL::Chem::MatchExpression< Atom, MolecularGraph > | |
CCDPL::Chem::AtomConfigurationMatchExpression | AtomConfigurationMatchExpression |
CCDPL::Chem::AtomEnvironmentMatchExpression | AtomEnvironmentMatchExpression |
CCDPL::Chem::AtomSSSRRingSizeMatchExpression< MatchFunc > | AtomSSSRRingSizeMatchExpression |
CCDPL::Chem::AtomTypeMatchExpression | AtomTypeMatchExpression |
►CCDPL::Chem::MatchExpression< Bond, MolecularGraph > | |
CCDPL::Chem::BondConfigurationMatchExpression | BondConfigurationMatchExpression |
CCDPL::Chem::BondDirectionMatchExpression | BondDirectionMatchExpression |
CCDPL::Chem::BondReactionCenterStatusMatchExpression | BondReactionCenterStatusMatchExpression |
CCDPL::Chem::BondSubstituentDirectionMatchExpression | BondSubstituentDirectionMatchExpression |
►CCDPL::Chem::MatchExpression< MolecularGraph > | |
CCDPL::Chem::MolecularGraphComponentGroupingMatchExpression | MolecularGraphComponentGroupingMatchExpression |
►CCDPL::Chem::MatchExpression< ObjType, void > | A generic boolean expression interface for the implementation of query/target object equivalence tests in molecular graph matching algorithms |
CCDPL::Chem::NOTMatchExpression< ObjType, void > | NOTMatchExpression |
CCDPL::Chem::PropertyMatchExpression< ValueType, MatchFunc, ObjType, void > | PropertyMatchExpression |
CCDPL::Chem::MatchExpressionList< ObjType, void > | |
►CCDPL::Chem::MatchExpression< ObjType1, void > | |
CCDPL::Chem::MatchExpressionList< ObjType1, ObjType2 > | A container for the storage and evaluation of logical match expression lists |
CCDPL::Chem::NOTMatchExpression< ObjType1, ObjType2 > | NOTMatchExpression |
CCDPL::Chem::PropertyMatchExpression< ValueType, MatchFunc, ObjType1, ObjType2 > | PropertyMatchExpression |
CCDPL::Chem::MatchExpressionList< ObjType1, void > | |
►CCDPL::Chem::MatchExpression< Reaction > | |
CCDPL::Chem::ReactionAtomMappingMatchExpression | ReactionAtomMappingMatchExpression |
CCDPL::Chem::ReactionComponentGroupingMatchExpression | ReactionComponentGroupingMatchExpression |
CCDPL::Math::Matrix< T, A > | |
CCDPL::Math::Matrix1VectorBinaryTraits< E1, E2, F > | |
CCDPL::Math::Matrix2VectorBinaryTraits< E1, E2, F > | |
CCDPL::Math::Matrix< double > | |
CCDPL::Math::Matrix< T > | |
CCDPL::Math::Matrix< ValueType > | |
CCDPL::Math::MatrixBinary1Traits< E1, E2, F > | |
CCDPL::Math::MatrixBinary2Traits< E1, E2, F > | |
►CCDPL::Math::MatrixBinaryFunctor< M1, M2 > | |
CCDPL::Math::MatrixProduct< M1, M2 > | |
►CCDPL::Math::MatrixBooleanBinaryFunctor< M1, M2 > | |
CCDPL::Math::MatrixEquality< M1, M2 > | |
CCDPL::Math::MatrixReference< M > | |
►CCDPL::Math::MatrixScalarRealUnaryFunctor< M > | |
CCDPL::Math::MatrixNorm1< M > | |
CCDPL::Math::MatrixNormFrobenius< M > | |
CCDPL::Math::MatrixNormInfinity< M > | |
►CCDPL::Math::MatrixScalarUnaryFunctor< M > | |
CCDPL::Math::MatrixElementSum< M > | |
CCDPL::Math::MatrixTrace< M > | |
►CCDPL::Math::MatrixTemporaryTraits< M > | |
CCDPL::Math::MatrixTemporaryTraits< const MatrixColumn< M > > | |
CCDPL::Math::MatrixTemporaryTraits< const MatrixRange< M > > | |
CCDPL::Math::MatrixTemporaryTraits< const MatrixReference< M > > | |
CCDPL::Math::MatrixTemporaryTraits< const MatrixRow< M > > | |
CCDPL::Math::MatrixTemporaryTraits< const MatrixSlice< M > > | |
CCDPL::Math::MatrixTemporaryTraits< const MatrixTranspose< M > > | |
CCDPL::Math::MatrixTemporaryTraits< const TriangularAdapter< M, Tri > > | |
CCDPL::Math::MatrixTemporaryTraits< MatrixColumn< M > > | |
CCDPL::Math::MatrixTemporaryTraits< MatrixRange< M > > | |
CCDPL::Math::MatrixTemporaryTraits< MatrixReference< M > > | |
CCDPL::Math::MatrixTemporaryTraits< MatrixRow< M > > | |
CCDPL::Math::MatrixTemporaryTraits< MatrixSlice< M > > | |
CCDPL::Math::MatrixTemporaryTraits< MatrixTranspose< M > > | |
CCDPL::Math::MatrixTemporaryTraits< TriangularAdapter< M, Tri > > | |
CCDPL::Math::MatrixUnaryTraits< E, F > | |
►CCDPL::Math::MatrixVectorBinaryFunctor< M, V > | |
CCDPL::Math::MatrixVectorProduct< M, V > | |
CCDPL::Math::VectorMatrixProduct< V, M > | |
CCDPL::Chem::MaxCommonAtomSubstructureSearch | MaxCommonAtomSubstructureSearch |
CCDPL::Chem::MaxCommonBondSubstructureSearch | MaxCommonBondSubstructureSearch |
CCDPL::GRAIL::FeatureInteractionScoreGridCalculator::MaxScoreFunctor | |
CCDPL::MolProp::MHMOPiChargeCalculator | MHMOPiChargeCalculator |
CCDPL::Math::MinimizerVariableArrayTraits< A > | |
CCDPL::Math::MinimizerVariableArrayTraits< QuaternionTransformation > | |
CCDPL::Math::MinimizerVariableArrayTraits< std::vector< V > > | |
CCDPL::Math::MinimizerVariableArrayTraits< VA > | |
CCDPL::Math::MinimizerVariableArrayTraits< VectorArray< V > > | |
CCDPL::Math::MLRModel< T > | Performs Multiple Linear Regression [WLIREG] on a set of data points \( (y_i, \vec{X}_i) \) |
CCDPL::ForceField::MMFF94AngleBendingInteraction | |
CCDPL::ForceField::MMFF94AngleBendingInteractionParameterizer | |
CCDPL::ForceField::MMFF94AngleBendingParameterTable | |
CCDPL::ForceField::MMFF94AromaticAtomTypeDefinitionTable | |
CCDPL::ForceField::MMFF94AtomTypePropertyTable | |
CCDPL::ForceField::MMFF94AtomTyper | |
CCDPL::ForceField::MMFF94BondChargeIncrementTable | |
CCDPL::ForceField::MMFF94BondStretchingInteraction | |
CCDPL::ForceField::MMFF94BondStretchingInteractionParameterizer | |
CCDPL::ForceField::MMFF94BondStretchingParameterTable | |
CCDPL::ForceField::MMFF94BondStretchingRuleParameterTable | |
CCDPL::ForceField::MMFF94BondTyper | |
CCDPL::ForceField::MMFF94ChargeCalculator | |
CCDPL::ForceField::MMFF94DefaultStretchBendParameterTable | |
CCDPL::ForceField::MMFF94ElectrostaticInteraction | |
CCDPL::ForceField::MMFF94ElectrostaticInteractionParameterizer | |
CCDPL::ForceField::MMFF94EnergyCalculator< ValueType > | |
CCDPL::ForceField::MMFF94FormalAtomChargeDefinitionTable | |
CCDPL::ForceField::MMFF94GradientCalculator< ValueType > | |
CCDPL::ForceField::MMFF94HeavyToHydrogenAtomTypeMap | |
CCDPL::ForceField::MMFF94InteractionData | |
CCDPL::ForceField::MMFF94InteractionParameterizer | |
CCDPL::ForceField::MMFF94OutOfPlaneBendingInteraction | |
CCDPL::ForceField::MMFF94OutOfPlaneBendingInteractionParameterizer | |
CCDPL::ForceField::MMFF94OutOfPlaneBendingParameterTable | |
CCDPL::ForceField::MMFF94PartialBondChargeIncrementTable | |
CCDPL::ForceField::MMFF94PrimaryToParameterAtomTypeMap | |
CCDPL::ForceField::MMFF94StretchBendInteraction | |
CCDPL::ForceField::MMFF94StretchBendInteractionParameterizer | |
CCDPL::ForceField::MMFF94StretchBendParameterTable | |
CCDPL::ForceField::MMFF94SymbolicAtomTypePatternTable | |
CCDPL::ForceField::MMFF94SymbolicToNumericAtomTypeMap | |
CCDPL::ForceField::MMFF94TorsionInteraction | |
CCDPL::ForceField::MMFF94TorsionInteractionParameterizer | |
CCDPL::ForceField::MMFF94TorsionParameterTable | |
CCDPL::ForceField::MMFF94VanDerWaalsInteraction | |
CCDPL::ForceField::MMFF94VanDerWaalsInteractionParameterizer | |
CCDPL::ForceField::MMFF94VanDerWaalsParameterTable | |
CCDPL::Descr::MolecularComplexityCalculator | MolecularComplexityCalculator |
CCDPL::Descr::MoleculeAutoCorr2DDescriptorCalculator | MoleculeAutoCorr2DDescriptorCalculator |
CCDPL::Descr::MoleculeAutoCorr3DDescriptorCalculator | MoleculeAutoCorr3DDescriptorCalculator |
CCDPL::Descr::MoleculeRDFDescriptorCalculator | MoleculeRDFDescriptorCalculator |
CCDPL::Chem::MorganNumberingCalculator | MorganNumberingCalculator |
►CCDPL::Chem::MultiConfMoleculeInputProcessor | MultiConfMoleculeInputProcessor |
CCDPL::Chem::DefaultMultiConfMoleculeInputProcessor | MultiConfMoleculeInputProcessor |
CCDPL::Util::MultiMap< Key, Value, AllowDefValues, KeyCompFunc > | A multiple sorted associative container that maps keys to values |
►CCDPL::Util::MultiMap< const Atom *, const Atom *, true > | |
CCDPL::Chem::AtomMapping | A data type for the storage and lookup of arbitrary atom to atom mappings |
►CCDPL::Util::MultiMap< const Bond *, const Bond *, true > | |
CCDPL::Chem::BondMapping | A data type for the storage and lookup of arbitrary bond to bond mappings |
►CCDPL::Util::MultiMap< const Entity3D *, const Entity3D *, true > | |
CCDPL::Chem::Entity3DMapping | A data type for the storage and lookup of arbitrary entity to entity mappings |
►CCDPL::Util::MultiMap< const Feature *, const Feature *, true > | |
►CCDPL::Pharm::FeatureMapping | A data type for the storage and lookup of arbitrary feature to feature mappings |
CCDPL::Pharm::SpatialFeatureMapping | SpatialFeatureMapping |
CCDPL::Util::MultiMapDefaultValue< ValueType, Allow > | |
CCDPL::Util::MultiMapDefaultValue< ValueType, false > | |
CCDPL::Chem::Atom2DCoordinatesCalculator::LGNode::NodeLayoutInfo | |
CCDPL::Util::NullCheckDereferencer< ArgType, ResType > | An unary functor for the dereferenciation of pointers with null pointer checking |
CCDPL::Util::ObjectPool< T > | A data structure that caches instances of type T up to a user specified amount |
CCDPL::Util::ObjectPool< BasicAtom > | |
CCDPL::Util::ObjectPool< BasicBond > | |
CCDPL::Util::ObjectPool< BasicFeature > | |
CCDPL::Util::ObjectPool< BasicMolecule > | |
CCDPL::Util::ObjectPool< Edge > | |
CCDPL::Util::ObjectPool< Math::Vector3DArray > | |
CCDPL::Util::ObjectPool< PathMessage > | |
CCDPL::Util::ObjectPool< StructureData > | |
CCDPL::Util::ObjectPool< SubstructDescriptor > | |
CCDPL::Util::ObjectStack< T > | ObjectStack |
CCDPL::Util::ObjectStack< AGEdge > | |
CCDPL::Util::ObjectStack< AGNode > | |
CCDPL::Util::ObjectStack< AtomBondMapping > | |
CCDPL::Util::ObjectStack< AtomNode > | |
CCDPL::Util::ObjectStack< Edge > | |
CCDPL::Util::ObjectStack< GaussianShapeFunction > | |
CCDPL::Util::ObjectStack< IndexArray > | |
CCDPL::Util::ObjectStack< LGEdge > | |
CCDPL::Util::ObjectStack< LinePrimitive2D > | |
CCDPL::Util::ObjectStack< LineSegmentListPrimitive2D > | |
CCDPL::Util::ObjectStack< PointListPrimitive2D > | |
CCDPL::Util::ObjectStack< PolygonPrimitive2D > | |
CCDPL::Util::ObjectStack< PolylinePrimitive2D > | |
CCDPL::Util::ObjectStack< RingInfo > | |
CCDPL::Util::ObjectStack< RingSysNode > | |
CCDPL::Util::ObjectStack< State > | |
CCDPL::Util::ObjectStack< StructureView2D > | |
CCDPL::Util::ObjectStack< TextLabelPrimitive2D > | |
CCDPL::Util::ObjectStack< Util::BitSet > | |
CCDPL::Util::ObjectStack< Util::STPairArray > | |
CCDPL::Pharm::OrthogonalPiPiInteractionConstraint | OrthogonalPiPiInteractionConstraint |
CCDPL::Pharm::ParallelPiPiInteractionConstraint | ParallelPiPiInteractionConstraint |
►CCDPL::Vis::Path2D | Provides a container for painting operations, enabling arbitrary graphical shapes to be constructed and reused |
CCDPL::Vis::ClipPathPrimitive2D | A graphics primitive representing a clipping region in 2D space |
CCDPL::Vis::PathPrimitive2D | A graphics primitive representing an arbitrary path in 2D space |
CCDPL::Vis::Path2DConverter | Provides an interface for classes that implement the conversion of Vis::Path2D objects into rendering backend specific path descriptions or drawing operations |
CCDPL::Descr::PathFingerprintGenerator | PathFingerprintGenerator |
CCDPL::Chem::PatternAtomTyper::Pattern | |
CCDPL::Chem::SubstructureHistogramCalculator::Pattern | |
CCDPL::Chem::PatternAtomTyper | PatternAtomTyper |
CCDPL::Biomol::PDBData | A datastructure for the storage of imported PDB data records (see [CTFILE]) |
CCDPL::Vis::Pen | Specifies how to draw lines and outlines of shapes |
CCDPL::MolProp::PEOESigmaChargeCalculator | PEOESigmaChargeCalculator |
CCDPL::Descr::PharmacophoreAutoCorr3DDescriptorCalculator | PharmacophoreAutoCorr3DDescriptorCalculator |
►CCDPL::Pharm::PharmacophoreFitScore | PharmacophoreFitScore |
CCDPL::Pharm::PharmacophoreFitScreeningScore | PharmacophoreFitScreeningScore |
►CCDPL::Pharm::PharmacophoreGenerator | PharmacophoreGenerator |
CCDPL::Pharm::DefaultPharmacophoreGenerator | DefaultPharmacophoreGenerator |
CCDPL::Descr::PharmacophoreRDFDescriptorCalculator | PharmacophoreRDFDescriptorCalculator |
CCDPL::Chem::CIPPriorityCalculator::AtomNode::PriorityGreaterCmpFunc | |
CCDPL::Chem::CIPPriorityCalculator::AtomNode::PriorityLessCmpFunc | |
►CCDPL::Base::PropertyContainer | A class providing methods for the storage and lookup of object properties |
CCDPL::Chem::Bond | Bond |
►CCDPL::Chem::Entity3D | Entity3D |
CCDPL::Chem::Atom | Atom |
►CCDPL::Pharm::Feature | Feature |
CCDPL::Pharm::BasicFeature | BasicFeature |
CCDPL::Chem::MolecularGraph | MolecularGraph |
►CCDPL::Chem::Reaction | Reaction |
CCDPL::Chem::BasicReaction | BasicReaction |
►CCDPL::Grid::AttributedGrid | AttributedGrid |
CCDPL::Grid::SpatialGrid< T, CVT > | SpatialGrid |
CCDPL::Pharm::FeatureContainer | FeatureContainer |
CCDPL::Shape::GaussianShape | A data type for the descripton of arbitrary shapes composed of spheres approximated by gaussian functions |
CCDPL::Util::PropertyValue< T > | An unary functor that retrieves the value of a given property from the Base::PropertyContainer instance provided as argument |
CCDPL::Util::PropertyValueProduct< ResType, PropertyValueType > | A binary functor that calculates the product of two property values retrieved from a pair of Base::PropertyContainer instances passed as argument |
CCDPL::Chem::ProtonationStateStandardizer | Sets the protation state of molecules according to desired objectives |
CCDPL::Vis::QtObjectFactory | Provides methods for the creation of QFont , QColor , QPen and QBrush objects from Font, Color, Pen and Brush instances |
CCDPL::Math::QuaternionBinary1Traits< E1, E2, F > | |
CCDPL::Math::QuaternionBinary2Traits< E1, E2, F > | |
►CCDPL::Math::QuaternionBinaryFunctor< Q1, Q2 > | |
CCDPL::Math::QuaternionProduct< Q1, Q2 > | |
►CCDPL::Math::QuaternionBooleanBinaryFunctor< Q1, Q2 > | |
CCDPL::Math::QuaternionEquality< Q1, Q2 > | |
►CCDPL::Math::QuaternionScalarRealUnaryFunctor< Q > | |
CCDPL::Math::QuaternionNorm< Q > | |
CCDPL::Math::QuaternionNorm2< Q > | |
►CCDPL::Math::QuaternionScalarUnaryFunctor< Q > | |
CCDPL::Math::QuaternionElementSum< Q > | |
►CCDPL::Math::QuaternionTemporaryTraits< Q > | |
CCDPL::Math::QuaternionTemporaryTraits< const QuaternionReference< Q > > | |
CCDPL::Math::QuaternionTemporaryTraits< QuaternionReference< Q > > | |
CCDPL::Math::QuaternionTemporaryTraits< const VectorQuaternionAdapter< V > > | |
CCDPL::Math::QuaternionTemporaryTraits< VectorQuaternionAdapter< V > > | |
CCDPL::Math::QuaternionUnary1Traits< E, F > | |
CCDPL::Math::QuaternionUnary2Traits< E, F > | |
►CCDPL::Math::QuaternionUnaryFunctor< Q > | |
CCDPL::Math::QuaternionConjugate< Q > | |
CCDPL::Math::QuaternionUnreal< Q > | |
►CCDPL::Math::QuaternionVectorBinaryFunctor< Q, V > | |
CCDPL::Math::QuaternionVectorRotation< Q, V > | |
CCDPL::Math::QuaternionVectorBinaryTraits< E1, E2, F > | |
CCDPL::Math::Range< S > | |
CCDPL::Math::Range< SizeType > | |
CCDPL::Descr::RDFCodeCalculator< T > | RDFCodeCalculator |
►CCDPL::Descr::RDFCodeCalculator< Chem::Atom > | |
CCDPL::Descr::AtomRDFCodeCalculator | AtomRDFCodeCalculator |
►CCDPL::Descr::RDFCodeCalculator< Pharm::Feature > | |
CCDPL::Descr::FeatureRDFCodeCalculator | FeatureRDFCodeCalculator |
CCDPL::Chem::ReactionSubstructureSearch | ReactionSubstructureSearch |
CCDPL::Chem::Reactor | Reactor |
CCDPL::Vis::Rectangle2D | Specifies an axis aligned rectangular area in 2D space |
CCDPL::Shape::ReferenceColorTverskyScore | |
CCDPL::Shape::ReferenceShapeTverskyScore | |
CCDPL::Shape::ReferenceTotalOverlapTverskyScore | |
CCDPL::Shape::ReferenceTverskyComboScore | |
CCDPL::Grid::RegularGrid< T, CVT > | RegularGrid |
CCDPL::Grid::RegularGridSet< T, CVT > | RegularGridSet |
►CCDPL::Vis::Renderer2D | An interface that provides methods for low level 2D drawing operations |
CCDPL::Vis::CairoRenderer2D | Implements the Renderer2D interface on top of the Cairo 2D Graphics Library |
CCDPL::Vis::QtRenderer2D | Implements the Renderer2D interface on top of the Qt Toolkit |
CCDPL::Biomol::ResidueDictionary | A global dictionary for the lookup of meta-data associated with the residues in biological macromolecules |
CCDPL::Chem::ResonanceStructureGenerator | ResonanceStructureGenerator |
CCDPL::Shape::GaussianShapeFunctionAlignment::Result | |
CCDPL::ConfGen::RMSDConformerSelector | |
►CCDPL::Math::Scalar13QuaternionTernaryFunctor< T1, Q, T2 > | |
CCDPL::Math::ScalarQuaternionDivision< T1, Q, T2 > | |
CCDPL::Math::Scalar13QuaternionTernaryTraits< E1, E2, E3, F > | |
CCDPL::Math::Scalar1GridBinaryTraits< E1, E2, F > | |
CCDPL::Math::Scalar1MatrixBinaryTraits< E1, E2, F > | |
CCDPL::Math::Scalar1QuaternionBinary1Traits< E1, E2, F > | |
CCDPL::Math::Scalar1QuaternionBinary2Traits< E1, E2, F > | |
►CCDPL::Math::Scalar1QuaternionBinaryFunctor< T, Q > | |
CCDPL::Math::Scalar1QuaternionAddition< T, Q > | |
CCDPL::Math::Scalar1QuaternionSubtraction< T, Q > | |
CCDPL::Math::Scalar1VectorBinaryTraits< E1, E2, F > | |
CCDPL::Math::Scalar2GridBinaryTraits< E1, E2, F > | |
CCDPL::Math::Scalar2MatrixBinaryTraits< E1, E2, F > | |
CCDPL::Math::Scalar2QuaternionBinary1Traits< E1, E2, F > | |
CCDPL::Math::Scalar2QuaternionBinary2Traits< E1, E2, F > | |
►CCDPL::Math::Scalar2QuaternionBinaryFunctor< Q, T > | |
CCDPL::Math::QuaternionInverse< Q, T > | |
CCDPL::Math::Scalar2QuaternionAddition< Q, T > | |
CCDPL::Math::Scalar2QuaternionSubtraction< Q, T > | |
CCDPL::Math::Scalar2VectorBinaryTraits< E1, E2, F > | |
►CCDPL::Math::Scalar3GridBooleanTernaryFunctor< G1, G2, T > | |
CCDPL::Math::GridToleranceEquality< G1, G2, T > | |
►CCDPL::Math::Scalar3MatrixBooleanTernaryFunctor< M1, M2, T > | |
CCDPL::Math::MatrixToleranceEquality< M1, M2, T > | |
►CCDPL::Math::Scalar3QuaternionBooleanTernaryFunctor< Q1, Q2, T > | |
CCDPL::Math::QuaternionToleranceEquality< Q1, Q2, T > | |
►CCDPL::Math::Scalar3QuaternionTernaryFunctor< Q1, Q2, T > | |
CCDPL::Math::QuaternionDivision< Q1, Q2, T > | |
CCDPL::Math::Scalar3QuaternionTernaryTraits< E1, E2, E3, F > | |
►CCDPL::Math::Scalar3VectorBooleanTernaryFunctor< V1, V2, T > | |
CCDPL::Math::VectorToleranceEquality< V1, V2, T > | |
CCDPL::Math::ScalarAbsImpl< Signed > | |
CCDPL::Math::ScalarAbsImpl< false > | |
►CCDPL::Math::ScalarBinaryAssignmentFunctor< T1, T2 > | |
CCDPL::Math::ScalarAdditionAssignment< T1, T2 > | |
CCDPL::Math::ScalarAssignment< T1, T2 > | |
CCDPL::Math::ScalarDivisionAssignment< T1, T2 > | |
CCDPL::Math::ScalarMultiplicationAssignment< T1, T2 > | |
CCDPL::Math::ScalarSubtractionAssignment< T1, T2 > | |
►CCDPL::Math::ScalarBinaryFunctor< T1, T2 > | |
CCDPL::Math::ScalarAddition< T1, T2 > | |
CCDPL::Math::ScalarDivision< T1, T2 > | |
CCDPL::Math::ScalarMultiplication< T1, T2 > | |
CCDPL::Math::ScalarSubtraction< T1, T2 > | |
►CCDPL::Math::ScalarRealUnaryFunctor< T > | |
CCDPL::Math::ScalarImaginary< T > | |
CCDPL::Math::ScalarReal< T > | |
CCDPL::Math::ScalarTraits< T > | |
►CCDPL::Math::ScalarUnaryFunctor< T > | |
CCDPL::Math::ScalarConjugation< T > | |
CCDPL::Math::ScalarNegation< T > | |
CCDPL::GRAIL::FeatureInteractionScoreGridCalculator::ScoreSumFunctor | |
►CCDPL::Pharm::ScreeningDBAccessor | A class for accessing the data stored in pharmacophore screening databases |
CCDPL::Pharm::PSDScreeningDBAccessor | A class for accessing pharmacophore screening databases in the built-in optimized format |
►CCDPL::Pharm::ScreeningDBCreator | A class for the creation of optimized pharmacophore screening databases |
CCDPL::Pharm::PSDScreeningDBCreator | A class for the creation of optimized pharmacophore screening databases |
CCDPL::Pharm::ScreeningProcessor | ScreeningProcessor |
CCDPL::Shape::ScreeningProcessor | |
CCDPL::Shape::ScreeningSettings | |
CCDPL::Pharm::ScreeningProcessor::SearchHit | |
CCDPL::Shape::ShapeTanimotoScore | |
CCDPL::Shape::ShapeTverskyScore | |
CCDPL::Vis::SizeSpecification | Specifies the value and type of a size attribute and defines how the value may change during processing steps |
CCDPL::Math::Slice< S, D > | |
CCDPL::Math::Slice< SizeType, DifferenceType > | |
CCDPL::Math::SparseContainerElement< C, K > | |
CCDPL::Chem::SpatialEntityAlignment< T > | SpatialEntityAlignment |
►CCDPL::Chem::SpatialEntityAlignment< Feature > | |
CCDPL::Pharm::PharmacophoreAlignment | PharmacophoreAlignment |
CCDPL::Chem::StereoDescriptor | A data structure for the storage and retrieval of stereochemical information about atoms and bonds |
CCDPL::Chem::StereoisomerGenerator | StereoisomerGenerator |
►CStreamType | |
CCDPL::Util::CompressionStreamBase< CompAlgo, StreamType > | |
CCDPL::Chem::StringDataBlockEntry | Represents a data item in the structure or reaction data block of a MDL SD- or RD-File data record (see [CTFILE]) |
CCDPL::Chem::ResonanceStructureGenerator::StructureData | |
CCDPL::ConfGen::StructureGenerator | |
CCDPL::ConfGen::StructureGeneratorSettings | |
CCDPL::Chem::SubstructureHistogramCalculator | SubstructureHistogramCalculator |
CCDPL::Chem::SubstructureSearch | SubstructureSearch |
CCDPL::Chem::SurfaceAtomExtractor | SurfaceAtomExtractor |
CCDPL::Chem::SymmetryClassCalculator::AtomNode::SVMNumberCmpFunc | |
CCDPL::Chem::SymmetryClassCalculator::AtomNode::SymClassCmpFunc | |
CCDPL::Chem::SymmetryClassCalculator | SymmetryClassCalculator |
CCDPL::Shape::TanimotoComboScore | |
►CCDPL::Chem::TautomerGenerator | TautomerGenerator |
CCDPL::Chem::DefaultTautomerGenerator | DefaultTautomerGenerator |
►CCDPL::Chem::TautomerizationRule | TautomerizationRule |
►CCDPL::Chem::PatternBasedTautomerizationRule | PatternBasedTautomerizationRule |
CCDPL::Chem::AmideImidicAcidTautomerization | AmideImidicAcidTautomerizationRule |
CCDPL::Chem::GenericHydrogen13ShiftTautomerization | GenericHydrogen13ShiftTautomerizationRule |
CCDPL::Chem::GenericHydrogen15ShiftTautomerization | GenericHydrogen15ShiftTautomerizationRule |
CCDPL::Chem::ImineEnamineTautomerization | ImineEnamineTautomerizationRule |
CCDPL::Chem::KeteneYnolTautomerization | KeteneYnolTautomerizationRule |
CCDPL::Chem::KetoEnolTautomerization | KetoEnolTautomerizationRule |
CCDPL::Chem::LactamLactimTautomerization | LactamLactimTautomerizationRule |
CCDPL::Chem::NitroAciTautomerization | NitroAciTautomerizationRule |
CCDPL::Chem::NitrosoOximeTautomerization | NitrosoOximeTautomerizationRule |
CCDPL::Chem::PhosphinicAcidTautomerization | PhosphinicAcidTautomerizationRule |
CCDPL::Chem::SulfenicAcidTautomerization | SulfenicAcidTautomerizationRule |
CCDPL::Chem::TautomerScore | TautomerScore |
CCDPL::Chem::TopologicalEntityAlignment< T > | TopologicalEntityAlignment |
CCDPL::Chem::TopologicalEntityAlignment< Feature > | |
►CCDPL::ConfGen::TorsionCategory | |
CCDPL::ConfGen::TorsionLibrary | |
CCDPL::ConfGen::TorsionDriver | |
CCDPL::ConfGen::TorsionDriverSettings | |
CCDPL::ConfGen::TorsionRule | |
CCDPL::ConfGen::TorsionRuleMatch | |
CCDPL::ConfGen::TorsionRuleMatcher | |
CCDPL::Shape::TotalOverlapTanimotoScore | |
CCDPL::Shape::TotalOverlapTverskyScore | |
CCDPL::MolProp::TPSACalculator | TPSACalculator |
CCDPL::Shape::TverskyComboScore | |
CCDPL::Math::TypeTraits< T > | |
►CCDPL::Math::TypeTraits< SparseContainerElement< C >::ValueType > | |
CCDPL::Math::TypeTraits< SparseContainerElement< C > > | |
CCDPL::ForceField::UFFAtomTypePropertyTable | |
CCDPL::Math::UnitLower | |
CCDPL::Math::UnitUpper | |
CCDPL::Math::Upper | |
CCDPL::Math::Vector< T, A > | |
CCDPL::Math::Vector< double > | |
CCDPL::Math::Vector< T > | |
CCDPL::Math::Vector< ValueType > | |
CCDPL::Math::VectorArrayAlignmentCalculator< VA, V, T > | |
CCDPL::Math::VectorArrayAlignmentCalculator< Math::Vector3DArray > | |
CCDPL::Math::VectorBinary1Traits< E1, E2, F > | |
CCDPL::Math::VectorBinary2Traits< E1, E2, F > | |
►CCDPL::Math::VectorBinaryFunctor< V1, V2 > | |
CCDPL::Math::VectorCrossProduct< V1, V2 > | |
►CCDPL::Math::VectorBooleanBinaryFunctor< V1, V2 > | |
CCDPL::Math::VectorEquality< V1, V2 > | |
CCDPL::Math::VectorElementAccessor< E > | |
CCDPL::Math::VectorElementAccessor< const E > | |
CCDPL::Math::VectorIteratorTraits< E > | |
CCDPL::Math::VectorIteratorTraits< const E > | |
CCDPL::Math::VectorMatrixBinaryTraits< E1, E2, F > | |
►CCDPL::Math::VectorMatrixUnaryFunctor< V > | |
CCDPL::Math::CrossProductMatrixFromVector< V > | |
CCDPL::Math::DiagonalMatrixFromVector< V > | |
CCDPL::Math::VectorMatrixUnaryTraits< E, F > | |
►CCDPL::Math::VectorScalarBinaryFunctor< V1, V2 > | |
CCDPL::Math::VectorAngleCosine< V1, V2, T > | |
CCDPL::Math::VectorInnerProduct< V1, V2 > | |
►CCDPL::Math::VectorScalarIndexUnaryFunctor< V > | |
CCDPL::Math::VectorNormInfinityIndex< V > | |
►CCDPL::Math::VectorScalarRealUnaryFunctor< V > | |
CCDPL::Math::VectorNorm1< V > | |
CCDPL::Math::VectorNorm2< V > | |
CCDPL::Math::VectorNormInfinity< V > | |
►CCDPL::Math::VectorScalarUnaryFunctor< V > | |
CCDPL::Math::VectorElementSum< V > | |
►CCDPL::Math::VectorTemporaryTraits< V > | |
CCDPL::Math::VectorTemporaryTraits< const HomogenousCoordsAdapter< V > > | |
CCDPL::Math::VectorTemporaryTraits< const VectorRange< V > > | |
CCDPL::Math::VectorTemporaryTraits< const VectorReference< V > > | |
CCDPL::Math::VectorTemporaryTraits< const VectorSlice< V > > | |
CCDPL::Math::VectorTemporaryTraits< HomogenousCoordsAdapter< V > > | |
CCDPL::Math::VectorTemporaryTraits< VectorRange< V > > | |
CCDPL::Math::VectorTemporaryTraits< VectorReference< V > > | |
CCDPL::Math::VectorTemporaryTraits< VectorSlice< V > > | |
CCDPL::Math::VectorTemporaryTraits< const QuaternionVectorAdapter< Q > > | |
►CCDPL::Math::VectorTemporaryTraits< M > | |
CCDPL::Math::VectorTemporaryTraits< const MatrixColumn< M > > | |
CCDPL::Math::VectorTemporaryTraits< const MatrixRange< M > > | |
CCDPL::Math::VectorTemporaryTraits< const MatrixReference< M > > | |
CCDPL::Math::VectorTemporaryTraits< const MatrixRow< M > > | |
CCDPL::Math::VectorTemporaryTraits< const MatrixSlice< M > > | |
CCDPL::Math::VectorTemporaryTraits< const MatrixTranspose< M > > | |
CCDPL::Math::VectorTemporaryTraits< const TriangularAdapter< M, Tri > > | |
CCDPL::Math::VectorTemporaryTraits< MatrixColumn< M > > | |
CCDPL::Math::VectorTemporaryTraits< MatrixRange< M > > | |
CCDPL::Math::VectorTemporaryTraits< MatrixReference< M > > | |
CCDPL::Math::VectorTemporaryTraits< MatrixRow< M > > | |
CCDPL::Math::VectorTemporaryTraits< MatrixSlice< M > > | |
CCDPL::Math::VectorTemporaryTraits< MatrixTranspose< M > > | |
CCDPL::Math::VectorTemporaryTraits< TriangularAdapter< M, Tri > > | |
CCDPL::Math::VectorTemporaryTraits< QuaternionVectorAdapter< Q > > | |
CCDPL::Math::VectorUnaryTraits< E, F > | |
CCDPL::Util::DGCoordinatesGenerator< 3, T >::VolumeConstraint | |
CCDPL::Pharm::XBondingInteractionConstraint | XBondingInteractionConstraint |
CCDPL::MolProp::XLogPCalculator | XLogPCalculator |
CArray< BitSet > | |
Cbool | |
CCMatrix< double, 4, 4 > | |
Cconst EntityType * | |
CDistanceConstraint | |
Cdouble | |
CSharedPointer | |
Cstatic constexpr double | |
CSTPair | |
Ctype | |
Ctype | |
Ctype | |
Ctype | |
Ctype | |
CV | |
►CVectorArray< Vector2D > | |
►CCDPL::Vis::PointArray2D | Stores a set of points in 2D space |
CCDPL::Vis::LineSegmentListPrimitive2D | A graphics primitive representing a list of disjoint line segments |
CCDPL::Vis::PointListPrimitive2D | A graphics primitive representing a list of points |
CCDPL::Vis::PolygonPrimitive2D | A graphics primitive representing a polygon |
CCDPL::Vis::PolylinePrimitive2D | A graphics primitive representing a set of connected line segments |
►CVectorArray< Vector3D > | |
CCDPL::ConfGen::ConformerData | |