| ►Cenum | |
| CCDPL.Base.IOStream.OpenMode | |
| CCDPL.Biomol.PDBData.RecordType | |
| CCDPL.Chem.ChEMBLStandardizer.ChangeFlags | |
| CCDPL.Chem.MatchConstraint.Relation | Defines constants for the specification of relational constraints on the values of query/target attribute pairs |
| CCDPL.Chem.MatchConstraintList.Type | Defines constants that describe the logical type of the match constraint list |
| CCDPL.Chem.ProtonationStateStandardizer.Flavor | |
| CCDPL.Chem.TautomerGenerator.Mode | |
| CCDPL.Descr.MoleculeAutoCorr2DDescriptorCalculator.Mode | |
| CCDPL.ForceField.MMFF94VanDerWaalsInteraction.HDonorAcceptorType | |
| CCDPL.GRAIL.BindingAffinityCalculator.AffinityMeasure | |
| CCDPL.GRAIL.GRAILDescriptorCalculator.ElementIndex | |
| CCDPL.GRAIL.GRAILXDescriptorCalculator.ElementIndex | |
| CCDPL.Math.DRegularSpatialGrid.DataMode | |
| CCDPL.Math.DVectorBFGSMinimizer.Status | |
| CCDPL.Math.FRegularSpatialGrid.DataMode | |
| CCDPL.Math.FVectorBFGSMinimizer.Status | |
| CCDPL.Math.Vector2DArrayBFGSMinimizer.Status | |
| CCDPL.Math.Vector2FArrayBFGSMinimizer.Status | |
| CCDPL.Math.Vector3DArrayBFGSMinimizer.Status | |
| CCDPL.Math.Vector3FArrayBFGSMinimizer.Status | |
| CCDPL.Pharm.DefaultPharmacophoreGenerator.Configuration | Flags controlling feature generation |
| CCDPL.Pharm.PatternBasedFeatureGenerator.PatternAtomLabelFlag | |
| CCDPL.Pharm.ScreeningDBCreator.Mode | |
| CCDPL.Pharm.ScreeningProcessor.HitReportMode | |
| CCDPL.Shape.ScreeningSettings.AlignmentMode | |
| CCDPL.Shape.ScreeningSettings.ColorFeatureType | |
| CCDPL.Shape.ScreeningSettings.ScreeningMode | |
| CCDPL.Vis.Brush.Style | Defines constants for supported fill pattern styles |
| CCDPL.Vis.Path2D.FillRule | Specifies which method to use for filling closed shapes described by the Path2D object |
| CCDPL.Vis.Pen.CapStyle | Defines constants for supported line cap styles |
| CCDPL.Vis.Pen.JoinStyle | Defines constants for supported line join styles |
| CCDPL.Vis.Pen.LineStyle | Defines constants for supported line styles |
| ►Cinstance | |
| CCDPL.Base.Any | A safe, type checked container for arbitrary data of variable type |
| ►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.Chem.MolecularGraphWriterBase | An interface for writing data objects of type Chem.MolecularGraph to an arbitrary data sink |
| CCDPL.Biomol.FileMMTFBZ2MolecularGraphWriter | |
| CCDPL.Biomol.FileMMTFGZMolecularGraphWriter | |
| CCDPL.Biomol.FileMMTFMolecularGraphWriter | |
| CCDPL.Biomol.FilePDBBZ2MolecularGraphWriter | |
| CCDPL.Biomol.FilePDBGZMolecularGraphWriter | |
| CCDPL.Biomol.FilePDBMolecularGraphWriter | |
| CCDPL.Biomol.MMTFBZ2MolecularGraphWriter | |
| CCDPL.Biomol.MMTFGZMolecularGraphWriter | |
| CCDPL.Biomol.MMTFMolecularGraphWriter | A writer for molecular graph data in the Macromolecular Transmission Format (MMTF) [MMTF] |
| CCDPL.Biomol.PDBBZ2MolecularGraphWriter | |
| CCDPL.Biomol.PDBGZMolecularGraphWriter | |
| CCDPL.Biomol.PDBMolecularGraphWriter | A writer for molecular graph data in the Brookhaven Protein Data Bank (PDB) [PDB] format |
| CCDPL.Chem.CDFBZ2MolecularGraphWriter | |
| CCDPL.Chem.CDFGZMolecularGraphWriter | |
| CCDPL.Chem.CDFMolecularGraphWriter | A writer for molecular graph data in the native I/O format of the CDPL |
| CCDPL.Chem.FileCDFBZ2MolecularGraphWriter | |
| CCDPL.Chem.FileCDFGZMolecularGraphWriter | |
| CCDPL.Chem.FileCDFMolecularGraphWriter | |
| CCDPL.Chem.FileINCHIMolecularGraphWriter | |
| CCDPL.Chem.FileJMEMolecularGraphWriter | |
| CCDPL.Chem.FileMOL2BZ2MolecularGraphWriter | |
| CCDPL.Chem.FileMOL2GZMolecularGraphWriter | |
| CCDPL.Chem.FileMOL2MolecularGraphWriter | |
| CCDPL.Chem.FileMOLMolecularGraphWriter | |
| CCDPL.Chem.FileSDFBZ2MolecularGraphWriter | |
| CCDPL.Chem.FileSDFGZMolecularGraphWriter | |
| CCDPL.Chem.FileSDFMolecularGraphWriter | |
| CCDPL.Chem.FileSMARTSMolecularGraphWriter | |
| CCDPL.Chem.FileSMILESBZ2MolecularGraphWriter | |
| CCDPL.Chem.FileSMILESGZMolecularGraphWriter | |
| CCDPL.Chem.FileSMILESMolecularGraphWriter | |
| CCDPL.Chem.FileXYZBZ2MolecularGraphWriter | |
| CCDPL.Chem.FileXYZGZMolecularGraphWriter | |
| CCDPL.Chem.FileXYZMolecularGraphWriter | |
| 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.MOL2BZ2MolecularGraphWriter | |
| CCDPL.Chem.MOL2GZMolecularGraphWriter | |
| CCDPL.Chem.MOL2MolecularGraphWriter | |
| CCDPL.Chem.MolecularGraphWriter | Writer for molecule data in any supported format |
| CCDPL.Chem.MOLMolecularGraphWriter | A writer for molecular graph data in the MDL Mol-File [CTFILE] format |
| CCDPL.Chem.SDFBZ2MolecularGraphWriter | |
| CCDPL.Chem.SDFGZMolecularGraphWriter | |
| 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.SMILESBZ2MolecularGraphWriter | |
| CCDPL.Chem.SMILESGZMolecularGraphWriter | |
| CCDPL.Chem.SMILESMolecularGraphWriter | A writer for molecular graph data in the Daylight SMILES [SMILES] format |
| CCDPL.Chem.XYZBZ2MolecularGraphWriter | |
| CCDPL.Chem.XYZGZMolecularGraphWriter | |
| CCDPL.Chem.XYZMolecularGraphWriter | |
| CCDPL.Pharm.PSDMolecularGraphWriter | A writer for molecular graph data in the PSD-format of the CDPL |
| CCDPL.Vis.FilePDFMolecularGraphWriter | |
| CCDPL.Vis.FilePNGMolecularGraphWriter | |
| CCDPL.Vis.FilePSMolecularGraphWriter | |
| CCDPL.Vis.FileSVGMolecularGraphWriter | |
| 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.Chem.MoleculeReaderBase | An interface for reading data objects of type Chem.Molecule from an arbitrary data source |
| CCDPL.Biomol.FileMMTFBZ2MoleculeReader | |
| CCDPL.Biomol.FileMMTFGZMoleculeReader | |
| CCDPL.Biomol.FileMMTFMoleculeReader | |
| CCDPL.Biomol.FilePDBBZ2MoleculeReader | |
| CCDPL.Biomol.FilePDBGZMoleculeReader | |
| CCDPL.Biomol.FilePDBMoleculeReader | |
| CCDPL.Biomol.MMTFBZ2MoleculeReader | |
| CCDPL.Biomol.MMTFGZMoleculeReader | |
| CCDPL.Biomol.MMTFMoleculeReader | A reader for molecule data in the Macromolecular Transmission Format (MMTF) [MMTF] |
| CCDPL.Biomol.PDBBZ2MoleculeReader | |
| CCDPL.Biomol.PDBGZMoleculeReader | |
| CCDPL.Biomol.PDBMoleculeReader | A reader for molecule data in the Brookhaven Protein Data Bank (PDB) [PDB] format |
| CCDPL.Chem.CDFBZ2MoleculeReader | |
| CCDPL.Chem.CDFGZMoleculeReader | |
| CCDPL.Chem.CDFMoleculeReader | A reader for molecule data in the native I/O format of the CDPL |
| CCDPL.Chem.CompoundMoleculeReader | CompoundDataReader |
| CCDPL.Chem.FileCDFBZ2MoleculeReader | |
| CCDPL.Chem.FileCDFGZMoleculeReader | |
| CCDPL.Chem.FileCDFMoleculeReader | |
| CCDPL.Chem.FileINCHIMoleculeReader | |
| CCDPL.Chem.FileJMEMoleculeReader | |
| CCDPL.Chem.FileMOL2BZ2MoleculeReader | |
| CCDPL.Chem.FileMOL2GZMoleculeReader | |
| CCDPL.Chem.FileMOL2MoleculeReader | |
| CCDPL.Chem.FileMOLMoleculeReader | |
| CCDPL.Chem.FileSDFBZ2MoleculeReader | |
| CCDPL.Chem.FileSDFGZMoleculeReader | |
| CCDPL.Chem.FileSDFMoleculeReader | |
| CCDPL.Chem.FileSMARTSMoleculeReader | |
| CCDPL.Chem.FileSMILESBZ2MoleculeReader | |
| CCDPL.Chem.FileSMILESGZMoleculeReader | |
| CCDPL.Chem.FileSMILESMoleculeReader | |
| CCDPL.Chem.FileXYZBZ2MoleculeReader | |
| CCDPL.Chem.FileXYZGZMoleculeReader | |
| CCDPL.Chem.FileXYZMoleculeReader | |
| CCDPL.Chem.INCHIMoleculeReader | A reader for molecule data in the IUPAC International Chemical Identifier (InChI) [INCHI] format |
| CCDPL.Chem.JMEMoleculeReader | A reader for molecule data in the native I/O format of the JME Molecular Editor [JME] java applet |
| CCDPL.Chem.MOL2BZ2MoleculeReader | |
| CCDPL.Chem.MOL2GZMoleculeReader | |
| CCDPL.Chem.MOL2MoleculeReader | |
| CCDPL.Chem.MoleculeReader | Reader for molecule data in any supported format |
| CCDPL.Chem.MOLMoleculeReader | A reader for molecule data in the MDL Mol-File [CTFILE] format |
| CCDPL.Chem.SDFBZ2MoleculeReader | |
| CCDPL.Chem.SDFGZMoleculeReader | |
| CCDPL.Chem.SDFMoleculeReader | A Reader for molecule data in the MDL SD-File [CTFILE] format |
| CCDPL.Chem.SMARTSMoleculeReader | A reader for molecule data in the Daylight SMARTS [SMARTS] format |
| CCDPL.Chem.SMILESBZ2MoleculeReader | |
| CCDPL.Chem.SMILESGZMoleculeReader | |
| CCDPL.Chem.SMILESMoleculeReader | A reader for molecule data in the Daylight SMILES [SMILES] format |
| CCDPL.Chem.XYZBZ2MoleculeReader | |
| CCDPL.Chem.XYZGZMoleculeReader | |
| CCDPL.Chem.XYZMoleculeReader | |
| CCDPL.ConfGen.CFLMoleculeReader | A reader for molecule data in the native I/O format of the CDPL |
| CCDPL.ConfGen.FileCFLMoleculeReader | |
| CCDPL.Pharm.PSDMoleculeReader | A reader for molecule data in the PSD-format of the CDPL |
| ►CCDPL.Chem.ReactionReaderBase | An interface for reading data objects of type Chem.Reaction from an arbitrary data source |
| CCDPL.Chem.CDFBZ2ReactionReader | |
| CCDPL.Chem.CDFGZReactionReader | |
| CCDPL.Chem.CDFReactionReader | A reader for reaction data in the native I/O format of the CDPL |
| CCDPL.Chem.CompoundReactionReader | CompoundDataReader |
| CCDPL.Chem.FileCDFBZ2ReactionReader | |
| CCDPL.Chem.FileCDFGZReactionReader | |
| CCDPL.Chem.FileCDFReactionReader | |
| CCDPL.Chem.FileJMEReactionReader | |
| CCDPL.Chem.FileRDFBZ2ReactionReader | |
| CCDPL.Chem.FileRDFGZReactionReader | |
| CCDPL.Chem.FileRDFReactionReader | |
| CCDPL.Chem.FileSMARTSReactionReader | |
| CCDPL.Chem.FileSMILESBZ2ReactionReader | |
| CCDPL.Chem.FileSMILESGZReactionReader | |
| CCDPL.Chem.FileSMILESReactionReader | |
| CCDPL.Chem.JMEReactionReader | A reader for reaction data in the native I/O format of the JME Molecular Editor [JME] java applet |
| CCDPL.Chem.RDFBZ2ReactionReader | |
| CCDPL.Chem.RDFGZReactionReader | |
| CCDPL.Chem.RDFReactionReader | A reader for reaction data in the MDL RD-File [CTFILE] format |
| CCDPL.Chem.ReactionReader | Reader for reaction data in any supported format |
| CCDPL.Chem.RXNReactionReader | A reader for reaction data in the MDL Rxn-File [CTFILE] format |
| CCDPL.Chem.SMARTSReactionReader | A reader for reaction data in the Daylight SMARTS [SMARTS] format |
| CCDPL.Chem.SMILESBZ2ReactionReader | |
| CCDPL.Chem.SMILESGZReactionReader | |
| CCDPL.Chem.SMILESReactionReader | A reader for reaction data in the Daylight SMILES [SMILES] format |
| ►CCDPL.Chem.ReactionWriterBase | An interface for writing data objects of type Chem.Reaction to an arbitrary data sink |
| CCDPL.Chem.CDFBZ2ReactionWriter | |
| CCDPL.Chem.CDFGZReactionWriter | |
| CCDPL.Chem.CDFReactionWriter | A writer for molecular graph data in the native I/O format of the CDPL |
| CCDPL.Chem.FileCDFBZ2ReactionWriter | |
| CCDPL.Chem.FileCDFGZReactionWriter | |
| CCDPL.Chem.FileCDFReactionWriter | |
| CCDPL.Chem.FileJMEReactionWriter | |
| CCDPL.Chem.FileRDFBZ2ReactionWriter | |
| CCDPL.Chem.FileRDFGZReactionWriter | |
| CCDPL.Chem.FileRDFReactionWriter | |
| CCDPL.Chem.FileRXNReactionWriter | |
| CCDPL.Chem.FileSMARTSReactionWriter | |
| CCDPL.Chem.FileSMILESBZ2ReactionWriter | |
| CCDPL.Chem.FileSMILESGZReactionWriter | |
| CCDPL.Chem.FileSMILESReactionWriter | |
| CCDPL.Chem.JMEReactionWriter | A writer for reaction data in the native I/O format of the JME Molecular Editor [JME] java applet |
| CCDPL.Chem.RDFBZ2ReactionWriter | |
| CCDPL.Chem.RDFGZReactionWriter | |
| CCDPL.Chem.RDFReactionWriter | A writer for reaction data in the MDL RD-File [CTFILE] format |
| CCDPL.Chem.ReactionWriter | Writer for reaction data in any supported 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.SMILESBZ2ReactionWriter | |
| CCDPL.Chem.SMILESGZReactionWriter | |
| CCDPL.Chem.SMILESReactionWriter | A writer for reaction data in the Daylight SMILES [SMILES] format |
| CCDPL.Vis.FilePDFReactionWriter | |
| CCDPL.Vis.FilePNGReactionWriter | |
| CCDPL.Vis.FilePSReactionWriter | |
| CCDPL.Vis.FileSVGReactionWriter | |
| 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.Grid.DRegularGridReaderBase | An interface for reading data objects of type Grid.DRegularGrid from an arbitrary data source |
| CCDPL.Grid.CDFBZ2DRegularGridReader | |
| CCDPL.Grid.CDFDRegularGridReader | A reader for spatial regular grid data in the native I/O format of the CDPL |
| CCDPL.Grid.CDFGZDRegularGridReader | |
| CCDPL.Grid.CompoundDRegularGridReader | CompoundDataReader |
| CCDPL.Grid.DRegularGridReader | Reader for grid data of type Grid.DRegularGrid in any supported format |
| CCDPL.Grid.FileCDFBZ2DRegularGridReader | |
| CCDPL.Grid.FileCDFDRegularGridReader | |
| CCDPL.Grid.FileCDFGZDRegularGridReader | |
| ►CCDPL.Grid.DRegularGridSetReaderBase | An interface for reading data objects of type Grid.DRegularGridSet from an arbitrary data source |
| CCDPL.Grid.CDFBZ2DRegularGridSetReader | |
| CCDPL.Grid.CDFDRegularGridSetReader | A reader for spatial regular grid set data in the native I/O format of the CDPL |
| CCDPL.Grid.CDFGZDRegularGridSetReader | |
| CCDPL.Grid.CompoundDRegularGridSetReader | CompoundDataReader |
| CCDPL.Grid.DRegularGridSetReader | Reader for grid set data of type Grid.DRegularGridSet in any supported format |
| CCDPL.Grid.FileCDFBZ2DRegularGridSetReader | |
| CCDPL.Grid.FileCDFDRegularGridSetReader | |
| CCDPL.Grid.FileCDFGZDRegularGridSetReader | |
| ►CCDPL.Grid.DRegularGridSetWriterBase | An interface for writing data objects of type Grid.DRegularGridSet to an arbitrary data sink |
| CCDPL.Grid.CDFBZ2DRegularGridSetWriter | |
| CCDPL.Grid.CDFDRegularGridSetWriter | A writer for spatial regular grid set data in the native I/O format of the CDPL |
| CCDPL.Grid.CDFGZDRegularGridSetWriter | |
| CCDPL.Grid.DRegularGridSetWriter | Writer for grid set data of type Grid.DRegularGridSet in any supported format |
| CCDPL.Grid.FileCDFBZ2DRegularGridSetWriter | |
| CCDPL.Grid.FileCDFDRegularGridSetWriter | |
| CCDPL.Grid.FileCDFGZDRegularGridSetWriter | |
| ►CCDPL.Grid.DRegularGridWriterBase | An interface for writing data objects of type Grid.DRegularGrid to an arbitrary data sink |
| CCDPL.Grid.CDFBZ2DRegularGridWriter | |
| CCDPL.Grid.CDFDRegularGridWriter | A writer for spatial regular grid data in the native I/O format of the CDPL |
| CCDPL.Grid.CDFGZDRegularGridWriter | |
| CCDPL.Grid.DRegularGridWriter | Writer for grid data of type Grid.DRegularGrid in any supported format |
| CCDPL.Grid.FileCDFBZ2DRegularGridWriter | |
| CCDPL.Grid.FileCDFDRegularGridWriter | |
| CCDPL.Grid.FileCDFGZDRegularGridWriter | |
| ►CCDPL.Pharm.FeatureContainerWriterBase | An interface for writing data objects of type Pharm.FeatureContainer to an arbitrary data sink |
| CCDPL.Pharm.CDFBZ2FeatureContainerWriter | |
| CCDPL.Pharm.CDFFeatureContainerWriter | A writer for feature container data in the native I/O format of the CDPL |
| CCDPL.Pharm.CDFGZFeatureContainerWriter | |
| CCDPL.Pharm.FeatureContainerWriter | Writer for pharmacophore data in any supported format |
| CCDPL.Pharm.FileCDFBZ2FeatureContainerWriter | |
| CCDPL.Pharm.FileCDFFeatureContainerWriter | |
| CCDPL.Pharm.FileCDFGZFeatureContainerWriter | |
| CCDPL.Pharm.FilePMLFeatureContainerWriter | |
| CCDPL.Pharm.PMLFeatureContainerWriter | A writer for feature container data in the native I/O format of LigandScout |
| ►CCDPL.Pharm.PharmacophoreReaderBase | An interface for reading data objects of type Pharm.Pharmacophore from an arbitrary data source |
| CCDPL.Pharm.CDFBZ2PharmacophoreReader | |
| CCDPL.Pharm.CDFGZPharmacophoreReader | |
| CCDPL.Pharm.CDFPharmacophoreReader | A reader for pharmacophore data in the native I/O format of the CDPL |
| CCDPL.Pharm.CompoundPharmacophoreReader | CompoundDataReader |
| CCDPL.Pharm.FileCDFBZ2PharmacophoreReader | |
| CCDPL.Pharm.FileCDFGZPharmacophoreReader | |
| CCDPL.Pharm.FileCDFPharmacophoreReader | |
| CCDPL.Pharm.FilePMLPharmacophoreReader | |
| CCDPL.Pharm.PharmacophoreReader | Reader for pharmacophore data in any supported format |
| CCDPL.Pharm.PMLPharmacophoreReader | A reader for pharmacophore data in the native I/O format of LigandScout |
| CCDPL.Pharm.PSDPharmacophoreReader | A reader for pharmacophore data in the PSD-format of the CDPL |
| ►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.Base.DataFormat | Provides meta-information about a particular data storage format |
| CCDPL.Base.DataFormat.FileExtensionSequence | |
| ►CCDPL.Base.IStream | |
| ►CCDPL.Base.IOStream | |
| CCDPL.Base.FileIOStream | |
| CCDPL.Base.StringIOStream | |
| CCDPL.Util.BZip2IOStream | |
| CCDPL.Util.GZipIOStream | |
| CCDPL.Util.BZip2IStream | |
| CCDPL.Util.GZipIStream | |
| CCDPL.Base.LookupKey | An unique lookup key for control-parameter and property values |
| ►CCDPL.Base.OStream | |
| CCDPL.Base.IOStream | |
| CCDPL.Util.BZip2OStream | |
| CCDPL.Util.GZipOStream | |
| ►CCDPL.Base.PropertyContainer | A class providing methods for the storage and lookup of object properties |
| ►CCDPL.Chem.Bond | Bond |
| CCDPL.Chem.BasicBond | BasicBond |
| ►CCDPL.Chem.Entity3D | Entity3D |
| ►CCDPL.Chem.Atom | Atom |
| CCDPL.Chem.BasicAtom | BasicAtom |
| ►CCDPL.Pharm.Feature | Feature |
| CCDPL.Pharm.BasicFeature | BasicFeature |
| ►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.Reaction | Reaction |
| CCDPL.Chem.BasicReaction | BasicReaction |
| ►CCDPL.Grid.AttributedGrid | AttributedGrid |
| ►CCDPL.Grid.DSpatialGrid | SpatialGrid |
| CCDPL.Grid.DRegularGrid | RegularGrid |
| ►CCDPL.Grid.FSpatialGrid | SpatialGrid |
| CCDPL.Grid.FRegularGrid | RegularGrid |
| ►CCDPL.Pharm.FeatureContainer | FeatureContainer |
| CCDPL.Pharm.FeatureSet | FeatureSet |
| ►CCDPL.Pharm.Pharmacophore | Pharmacophore |
| CCDPL.Pharm.BasicPharmacophore | BasicPharmacophore |
| CCDPL.Shape.GaussianShape | A data type for the descripton of arbitrary shapes composed of spheres approximated by gaussian functions |
| CCDPL.Base.VoidDataIOBaseFunctor | |
| CCDPL.Base.VoidFunctor | |
| CCDPL.Base.VoidLookupKeyAnyFunctor | |
| CCDPL.Base.VoidLookupKeyFunctor | |
| CCDPL.Biomol.AtomProperty | Provides keys for built-in Biomol.Atom properties |
| CCDPL.Biomol.AtomPropertyDefault | Provides default values for built-in Chem.Atom properties |
| CCDPL.Biomol.AtomPropertyFlag | Provides flags for the specification of basic Chem.Atom properties |
| CCDPL.Biomol.ControlParameter | Provides keys for built-in control-parameters |
| CCDPL.Biomol.ControlParameterDefault | Provides default values for built-in control-parameters |
| CCDPL.Biomol.DataFormat | Provides preinitialized Base.DataFormat objects for all supported biopolymer data formats |
| CCDPL.Biomol.HierarchyView | A datastructure allowing a hierarchical view on biological macromolecules |
| CCDPL.Biomol.MolecularGraphPointerStringFunctor | |
| CCDPL.Biomol.MolecularGraphProperty | Provides keys for built-in Biomol.MolecularGraph properties |
| CCDPL.Biomol.MolecularGraphPropertyDefault | Provides default values for built-in Chem.MolecularGraph properties |
| CCDPL.Biomol.PDBData | A datastructure for the storage of imported PDB data records (see [CTFILE]) |
| CCDPL.Biomol.PDBFormatVersion | Provides constants for the specification of the Brookhaven Protein Data Bank (PDB) [PDB] format version |
| CCDPL.Biomol.ResidueDictionary | A global dictionary for the lookup of meta-data associated with the residues in biological macromolecules |
| CCDPL.Biomol.ResidueDictionary.Entry | |
| CCDPL.Biomol.ResidueType | |
| CCDPL.Chem.Atom2DCoordinatesCalculator | Atom2DCoordinatesCalculator |
| CCDPL.Chem.Atom3DCoordinatesFunction | A generic wrapper class used to store a user-defined Chem.Atom 3D-coordinates function |
| CCDPL.Chem.Atom3DCoordinatesFunctor | Atom3DCoordinatesFunctor |
| CCDPL.Chem.Atom.AtomSequence | |
| CCDPL.Chem.Atom.BondSequence | |
| 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.AtomConfiguration | Provides constants that are used to specify the R/S configuration of atoms |
| CCDPL.Chem.AtomConformer3DCoordinatesFunctor | AtomConformer3DCoordinatesFunctor |
| CCDPL.Chem.AtomDictionary | A global dictionary for the lookup of data associated with the atom types defined in namespace Chem.AtomType |
| CCDPL.Chem.AtomDictionary.Entry | |
| CCDPL.Chem.AtomMapping | A data type for the storage and lookup of arbitrary atom to atom mappings |
| CCDPL.Chem.AtomMatchConstraint | Provides numerical identifiers for built-in Chem.Atom matching constraints |
| ►CCDPL.Chem.AtomMatchExpression | A generic boolean expression interface for the implementation of query/target object equivalence tests in molecular graph matching algorithms |
| CCDPL.Chem.AtomConfigurationMatchExpression | AtomConfigurationMatchExpression |
| CCDPL.Chem.AtomEnvironmentMatchExpression | AtomEnvironmentMatchExpression |
| ►CCDPL.Chem.AtomMatchExpressionList | A container for the storage and evaluation of logical match expression lists |
| CCDPL.Chem.ANDAtomMatchExpressionList | ANDAtomMatchExpressionList |
| CCDPL.Chem.ORAtomMatchExpressionList | ORAtomMatchExpressionList |
| CCDPL.Chem.AtomTypeMatchExpression | AtomTypeMatchExpression |
| CCDPL.Chem.NOTAtomMatchExpression | NOTAtomMatchExpression |
| CCDPL.Chem.AtomMatchExpressionPtrAtomFunctor | |
| CCDPL.Chem.AtomPredicate | A generic wrapper class used to store a user-defined atom predicate |
| CCDPL.Chem.AtomProperty | Provides keys for built-in Chem.Atom properties |
| CCDPL.Chem.AtomPropertyDefault | Provides default values for built-in Chem.Atom properties |
| CCDPL.Chem.AtomPropertyFlag | Provides flags for the specification of basic Chem.Atom properties |
| CCDPL.Chem.AtomType | Provides constants for the specification of the chemical element or generic type of an atom |
| CCDPL.Chem.AutomorphismGroupSearch | AutomorphismGroupSearch |
| CCDPL.Chem.BemisMurckoAnalyzer | BemisMurckoAnalyzer |
| CCDPL.Chem.Bond.AtomSequence | |
| CCDPL.Chem.BondConfiguration | Provides constants that are used to specify the cis/trans configuration of bonds |
| ►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.MolecularGraph | MolecularGraph |
| CCDPL.Chem.BondDirection | Provides constants for the specification of directional bonds in Daylight SMILES and SMARTS strings |
| CCDPL.Chem.BondMapping | A data type for the storage and lookup of arbitrary bond to bond mappings |
| CCDPL.Chem.BondMatchConstraint | Provides numerical identifiers for built-in Chem.Bond matching constraints and flags for the specification of bond orders |
| ►CCDPL.Chem.BondMatchExpression | A generic boolean expression interface for the implementation of query/target object equivalence tests in molecular graph matching algorithms |
| CCDPL.Chem.BondConfigurationMatchExpression | BondConfigurationMatchExpression |
| CCDPL.Chem.BondDirectionMatchExpression | BondDirectionMatchExpression |
| ►CCDPL.Chem.BondMatchExpressionList | A container for the storage and evaluation of logical match expression lists |
| CCDPL.Chem.ANDBondMatchExpressionList | ANDBondMatchExpressionList |
| CCDPL.Chem.ORBondMatchExpressionList | ORBondMatchExpressionList |
| CCDPL.Chem.BondReactionCenterStatusMatchExpression | BondReactionCenterStatusMatchExpression |
| CCDPL.Chem.BondSubstituentDirectionMatchExpression | BondSubstituentDirectionMatchExpression |
| CCDPL.Chem.NOTBondMatchExpression | NOTBondMatchExpression |
| CCDPL.Chem.BondMatchExpressionPtrBondFunctor | |
| CCDPL.Chem.BondOrderCalculator | BondOrderCalculator |
| CCDPL.Chem.BondPredicate | A generic wrapper class used to store a user-defined bond predicate |
| CCDPL.Chem.BondProperty | Provides keys for built-in Chem.Bond properties |
| CCDPL.Chem.BondPropertyDefault | Provides default values for built-in Chem.Bond properties |
| CCDPL.Chem.BondPropertyFlag | Provides flags for the specification of basic Chem.Bond properties |
| CCDPL.Chem.BondStereoFlag | Provides constants for the specification of stereo bonds in 2D depictions of chemical structures |
| CCDPL.Chem.BondStereoFlagCalculator | BondStereoFlagCalculator |
| CCDPL.Chem.BoolAtom2Functor | |
| CCDPL.Chem.BoolAtom4Functor | |
| CCDPL.Chem.BoolAtomMappingFunctor | |
| CCDPL.Chem.BoolBond2Functor | |
| CCDPL.Chem.BoolConstMolecularGraphFunctor | |
| CCDPL.Chem.BoolEntity3D2Functor | |
| CCDPL.Chem.BoolEntity3D4Functor | |
| CCDPL.Chem.BoolEntity3DMappingFunctor | |
| CCDPL.Chem.BoolMolecularGraphAtomBondMappingFunctor | |
| CCDPL.Chem.BoolMolecularGraphFunctor | |
| CCDPL.Chem.BoolSTPairArrayFunctor | |
| CCDPL.Chem.BRICSAtomLabel | Provides constants for the labeling of atoms in bonds matched by a BRICS fragmentation rule |
| CCDPL.Chem.BRICSRuleID | Provides constants for the identification of BRICS fragmentation rules |
| CCDPL.Chem.CanonicalNumberingCalculator | CanonicalNumberingCalculator |
| CCDPL.Chem.ChEMBLStandardizer | Implementation of the ChEMBL structure preprocessing pipeline |
| CCDPL.Chem.CIPConfigurationLabeler | CIPConfigurationLabeler |
| CCDPL.Chem.CIPDescriptor | Provides constants for the specification of stereogenic atom/bond configurations determined by the CIP sequence rules |
| CCDPL.Chem.CIPPriorityCalculator | CIPPriorityCalculator |
| CCDPL.Chem.CommonConnectedSubstructureSearch | CommonConnectedSubstructureSearch |
| CCDPL.Chem.ControlParameter | Provides keys for built-in control-parameters |
| CCDPL.Chem.ControlParameterDefault | Provides default values for built-in control-parameters |
| CCDPL.Chem.DataFormat | Provides preinitialized Base.DataFormat objects for all supported chemical data formats |
| CCDPL.Chem.DoubleAtom2Functor | |
| CCDPL.Chem.DoubleAtom2UInt2Functor | |
| CCDPL.Chem.DoubleAtom2UIntFunctor | |
| CCDPL.Chem.DoubleAtomFunctor | |
| CCDPL.Chem.DoubleDVectorFunctor | |
| CCDPL.Chem.DoubleEntity3D2Functor | |
| CCDPL.Chem.DoubleEntity3DFunctor | |
| CCDPL.Chem.DoubleVector3D2AtomFunctor | |
| ►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.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.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.Chem.Entity3DMapping | A data type for the storage and lookup of arbitrary entity to entity mappings |
| CCDPL.Chem.Entity3DProperty | Provides keys for built-in Chem.Entity3D properties |
| CCDPL.Chem.Fragment.AtomSequence | |
| CCDPL.Chem.Fragment.BondSequence | |
| ►CCDPL.Chem.FragmentGenerator | FragmentGenerator |
| CCDPL.Chem.BRICSFragmentGenerator | BRICSFragmentGenerator |
| CCDPL.Chem.RECAPFragmentGenerator | RECAPFragmentGenerator |
| CCDPL.Chem.FragmentGenerator.ExcludePattern | |
| CCDPL.Chem.FragmentGenerator.FragmentationRule | |
| CCDPL.Chem.FragmentGenerator.FragmentLink | |
| ►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.Chem.HashCodeCalculator | HashCodeCalculator |
| CCDPL.Chem.HashCodeCalculator.DefAtomHashSeedFunctor | The default functor for the generation of atom hash seeds |
| CCDPL.Chem.HashCodeCalculator.DefBondHashSeedFunctor | The default functor for the generation of bond hash seeds |
| CCDPL.Chem.HybridizationState | Provides constants for the specification of atom hybridization states |
| CCDPL.Chem.Hydrogen3DCoordinatesCalculator | Hydrogen3DCoordinatesCalculator |
| CCDPL.Chem.INCHIReturnCode | Provides constants that are used to describe the status of an InChI [INCHI] output or input operation |
| CCDPL.Chem.KekuleStructureCalculator | KekuleStructureCalculator |
| CCDPL.Chem.MatchConstraint | MatchConstraint |
| CCDPL.Chem.MatchConstraintList | MatchConstraintList |
| CCDPL.Chem.MaxCommonAtomSubstructureSearch | MaxCommonAtomSubstructureSearch |
| CCDPL.Chem.MaxCommonBondSubstructureSearch | MaxCommonBondSubstructureSearch |
| CCDPL.Chem.MDLDataFormatVersion | Provides constants that are used to specify the connection table and Rxn-File version for the I/O of molecular graphs and reactions in MDL format [CTFILE] |
| CCDPL.Chem.MDLParity | Provides constants that are used to specify the MDL stereo parity of atoms |
| CCDPL.Chem.MOL2ChargeType | Provides constants for the specification of the atom charge type in Tripos MOL2 files |
| CCDPL.Chem.MOL2MoleculeType | Provides constants for the specification of the molecule type in Tripos MOL2 files |
| CCDPL.Chem.MolecularGraph.AtomSequence | |
| CCDPL.Chem.MolecularGraph.BondSequence | |
| CCDPL.Chem.MolecularGraphInputHandler | |
| CCDPL.Chem.MolecularGraphIOManager | A singleton class that serves as a global registry for Chem.MolecularGraphInputHandler and Chem.MolecularGraphOutputHandler implementation instances |
| CCDPL.Chem.MolecularGraphIOManager.InputHandlerSequence | |
| CCDPL.Chem.MolecularGraphIOManager.OutputHandlerSequence | |
| CCDPL.Chem.MolecularGraphMatchConstraint | Provides numerical identifiers for built-in Chem.MolecularGraph matching constraints |
| ►CCDPL.Chem.MolecularGraphMatchExpression | A generic boolean expression interface for the implementation of query/target object equivalence tests in molecular graph matching algorithms |
| CCDPL.Chem.MolecularGraphComponentGroupingMatchExpression | MolecularGraphComponentGroupingMatchExpression |
| ►CCDPL.Chem.MolecularGraphMatchExpressionList | |
| CCDPL.Chem.ANDMolecularGraphMatchExpressionList | ANDMolecularGraphMatchExpressionList |
| CCDPL.Chem.ORMolecularGraphMatchExpressionList | ORMolecularGraphMatchExpressionList |
| CCDPL.Chem.NOTMolecularGraphMatchExpression | NOTMolecularGraphMatchExpression |
| ►CCDPL.Chem.MolecularGraphOutputHandler | A factory interface providing methods for the creation of Chem.MolecularGraphWriterBase instances for data output in a particular storage format |
| CCDPL.Biomol.MMTFBZ2MolecularGraphOutputHandler | A handler for the output of bzip2-compressed molecular graph data in the Macromolecular Transmission Format (MMTF) [MMTF] |
| CCDPL.Biomol.MMTFGZMolecularGraphOutputHandler | A handler for the output of gzip-compressed molecular graph data in the Macromolecular Transmission Format (MMTF) [MMTF] |
| CCDPL.Biomol.MMTFMolecularGraphOutputHandler | A handler for the output of molecular graph data in the Macromolecular Transmission Format (MMTF) [MMTF] format |
| CCDPL.Biomol.PDBBZ2MolecularGraphOutputHandler | A handler for the output of bzip2-compressed molecular graph data in the Brookhaven Protein Data Bank (PDB) [PDB] format |
| CCDPL.Biomol.PDBGZMolecularGraphOutputHandler | A handler for the output of gzip-compressed molecular graph data in the Brookhaven Protein Data Bank (PDB) [PDB] format |
| CCDPL.Biomol.PDBMolecularGraphOutputHandler | A handler for the output of molecular graph data in the Brookhaven Protein Data Bank (PDB) [PDB] format |
| CCDPL.Chem.CDFBZ2MolecularGraphOutputHandler | A handler for the output of gzip-compressed molecular graph data in the native I/O format of the CDPL |
| CCDPL.Chem.CDFGZMolecularGraphOutputHandler | A handler for the output of gzip-compressed molecular graph data in the native I/O format of the CDPL |
| CCDPL.Chem.CDFMolecularGraphOutputHandler | A handler for the output of molecular graph data in the native I/O format of the CDPL |
| CCDPL.Chem.INCHIMolecularGraphOutputHandler | A handler for the output of molecular graph data in the IUPAC International Chemical Identifier (InChI) [INCHI] format |
| CCDPL.Chem.JMEMolecularGraphOutputHandler | A handler for the output of molecular graph data in the native I/O format of the JME Molecular Editor [JME] java applet |
| CCDPL.Chem.MOL2BZ2MolecularGraphOutputHandler | A handler for the output of bzip2-compressed molecular graph data in the Sybyl MOL2 format |
| CCDPL.Chem.MOL2GZMolecularGraphOutputHandler | A handler for the output of gzip-compressed molecular graph data in the Sybyl MOL2 format |
| CCDPL.Chem.MOL2MolecularGraphOutputHandler | A handler for the output of molecular graph data in the Sybyl MOL2 format |
| CCDPL.Chem.MOLMolecularGraphOutputHandler | A handler for the output of molecular graph data in the MDL Mol-File [CTFILE] format |
| CCDPL.Chem.SDFBZ2MolecularGraphOutputHandler | A handler for the output of bzip2-compressed molecular graph data in the MDL SD-File [CTFILE] format |
| CCDPL.Chem.SDFGZMolecularGraphOutputHandler | A handler for the output of gzip-compressed molecular graph data in the MDL SD-File [CTFILE] format |
| CCDPL.Chem.SDFMolecularGraphOutputHandler | A handler for the output of molecular graph data in the MDL SD-File [CTFILE] format |
| CCDPL.Chem.SMARTSMolecularGraphOutputHandler | A handler for the output of molecular graph data in the Daylight SMARTS [SMARTS] format |
| CCDPL.Chem.SMILESBZ2MolecularGraphOutputHandler | A handler for the output of bzip2-compressed molecular graph data in the Daylight SMILES [SMILES] format |
| CCDPL.Chem.SMILESGZMolecularGraphOutputHandler | A handler for the output of gzip-compressed molecular graph data in the Daylight SMILES [SMILES] format |
| CCDPL.Chem.SMILESMolecularGraphOutputHandler | A handler for the output of molecular graph data in the Daylight SMILES [SMILES] format |
| CCDPL.Chem.XYZBZ2MolecularGraphOutputHandler | A handler for the output of bzip2-compressed molecular graph data in the XYZ format |
| CCDPL.Chem.XYZGZMolecularGraphOutputHandler | A handler for the output of gzip-compressed molecular graph data in the XYZ format |
| CCDPL.Chem.XYZMolecularGraphOutputHandler | A handler for the output of molecular graph data in the XYZ format |
| CCDPL.Pharm.PSDMolecularGraphOutputHandler | A handler for the output of molecular graph dara in the PSD-format of the CDPL |
| CCDPL.Vis.PDFMolecularGraphOutputHandler | A handler for the output of 2D depictions of chemical structures in the Portable Document Format (PDF) [WPDF] |
| CCDPL.Vis.PNGMolecularGraphOutputHandler | A handler for the output of 2D depictions of chemical structures in the Portable Network Graphics (PNG) [WPNG] format |
| CCDPL.Vis.PSMolecularGraphOutputHandler | A handler for the output of 2D depictions of chemical structures in the PostScript (PS) [WPS] format |
| CCDPL.Vis.SVGMolecularGraphOutputHandler | A handler for the output of 2D depictions of chemical structures in the Scalable Vector Graphics (SVG) [WSVG] format |
| CCDPL.Chem.MolecularGraphProperty | Provides keys for built-in Chem.MolecularGraph properties |
| CCDPL.Chem.MolecularGraphPropertyDefault | Provides default values for built-in Chem.MolecularGraph properties |
| CCDPL.Chem.Molecule.AtomSequence | |
| CCDPL.Chem.Molecule.BondSequence | |
| ►CCDPL.Chem.MoleculeInputHandler | A factory interface providing methods for the creation of Chem.MoleculeReaderBase instances for reading data provided in a particular storage format |
| CCDPL.Biomol.MMTFBZ2MoleculeInputHandler | A handler for the input of bzip2-compressed molecule data in the Macromolecular Transmission Format (MMTF) [MMTF] format |
| CCDPL.Biomol.MMTFGZMoleculeInputHandler | A handler for the input of gzip-compressed molecule data in the Macromolecular Transmission Format (MMTF) [MMTF] format |
| CCDPL.Biomol.MMTFMoleculeInputHandler | A handler for the input of molecule data in the Macromolecular Transmission Format (MMTF)y [MMTF] |
| CCDPL.Biomol.PDBBZ2MoleculeInputHandler | A handler for the input of bzip2-compressed molecule data in the Brookhaven Protein Data Bank (PDB) [PDB] format |
| CCDPL.Biomol.PDBGZMoleculeInputHandler | A handler for the input of gzip-compressed molecule data in the Brookhaven Protein Data Bank (PDB) [PDB] format |
| CCDPL.Biomol.PDBMoleculeInputHandler | A handler for the input of molecule data in the Brookhaven Protein Data Bank (PDB) [PDB] format |
| CCDPL.Chem.CDFBZ2MoleculeInputHandler | A handler for the input of bzip2-compressed molecule data in the native I/O format of the CDPL |
| CCDPL.Chem.CDFGZMoleculeInputHandler | A handler for the input of gzip-compressed molecule data in the native I/O format of the CDPL |
| CCDPL.Chem.CDFMoleculeInputHandler | A handler for the input of molecule data in the native I/O format of the CDPL |
| CCDPL.Chem.INCHIMoleculeInputHandler | A handler for the input of molecule data in the IUPAC International Chemical Identifier (InChI) [INCHI] format |
| CCDPL.Chem.JMEMoleculeInputHandler | A handler for the input of molecule data in the native I/O format of the JME Molecular Editor [JME] java applet |
| CCDPL.Chem.MOL2BZ2MoleculeInputHandler | A handler for the input of bzip2-compressed molecule data in the Sybyl MOL2 format |
| CCDPL.Chem.MOL2GZMoleculeInputHandler | A handler for the input of gzip-compressed molecule data in the Sybyl MOL2 format |
| CCDPL.Chem.MOL2MoleculeInputHandler | A handler for the input of molecule data in the Sybyl MOL2 format |
| CCDPL.Chem.MOLMoleculeInputHandler | A handler for the input of molecule data in the MDL Mol-File [CTFILE] format |
| CCDPL.Chem.SDFBZ2MoleculeInputHandler | A handler for the input of bzip2-compressed molecule data in the MDL SD-File [CTFILE] format |
| CCDPL.Chem.SDFGZMoleculeInputHandler | A handler for the input of gzip-compressed molecule data in the MDL SD-File [CTFILE] format |
| CCDPL.Chem.SDFMoleculeInputHandler | A handler for the input of molecule data in the MDL SD-File [CTFILE] format |
| CCDPL.Chem.SMARTSMoleculeInputHandler | A handler for the input of molecule data in the Daylight SMARTS [SMARTS] format |
| CCDPL.Chem.SMILESBZ2MoleculeInputHandler | A handler for the input of bzip2-compressed molecule data in the Daylight SMILES [SMILES] format |
| CCDPL.Chem.SMILESGZMoleculeInputHandler | A handler for the input of gzip-compressed molecule data in Daylight SMILES [SMILES] format |
| CCDPL.Chem.SMILESMoleculeInputHandler | A handler for the input of molecule data in the Daylight SMILES [SMILES] format |
| CCDPL.Chem.XYZBZ2MoleculeInputHandler | A handler for the input of bzip2-compressed molecule data in the XYZ format |
| CCDPL.Chem.XYZGZMoleculeInputHandler | A handler for the input of gzip-compressed molecule data in the XYZ format |
| CCDPL.Chem.XYZMoleculeInputHandler | A handler for the input of molecule data in the XYZ format |
| CCDPL.ConfGen.CFLMoleculeInputHandler | A handler for the input of molecule data from conformer generator fragment libraries |
| CCDPL.Pharm.PSDMoleculeInputHandler | A handler for the input of molecule data in the PSD-format of the CDPL |
| CCDPL.Chem.MoleculeIOManager | A singleton class that serves as a global registry for Chem.MoleculeInputHandler and Chem.MoleculeOutputHandler implementation instances |
| CCDPL.Chem.MoleculeIOManager.InputHandlerSequence | |
| CCDPL.Chem.MoleculeIOManager.OutputHandlerSequence | |
| CCDPL.Chem.MoleculeOutputHandler | |
| CCDPL.Chem.MolGraphMatchExpressionPtrMolGraphFunctor | |
| CCDPL.Chem.MorganNumberingCalculator | MorganNumberingCalculator |
| ►CCDPL.Chem.MultiConfMoleculeInputProcessor | MultiConfMoleculeInputProcessor |
| CCDPL.Chem.DefaultMultiConfMoleculeInputProcessor | MultiConfMoleculeInputProcessor |
| CCDPL.Chem.PatternAtomTyper | PatternAtomTyper |
| CCDPL.Chem.PatternAtomTyper.Pattern | |
| CCDPL.Chem.PatternBasedTautomerizationRule.BondOrderChange | |
| CCDPL.Chem.ProtonationStateStandardizer | Sets the protation state of molecules according to desired objectives |
| CCDPL.Chem.RadicalType | Provides constants that are used to specify the degeneracy of the electronic state of radical atoms |
| CCDPL.Chem.Reaction.ComponentSequence | |
| CCDPL.Chem.ReactionCenterStatus | Provides flags that are used to describe state changes of atoms and bonds in a reaction center |
| ►CCDPL.Chem.ReactionInputHandler | A factory interface providing methods for the creation of Chem.ReactionReaderBase instances for reading data provided in a particular storage format |
| CCDPL.Chem.CDFBZ2ReactionInputHandler | A handler for the input of gzip-compressed reaction data in the native I/O format of the CDPL |
| CCDPL.Chem.CDFGZReactionInputHandler | A handler for the input of gzip-compressed reaction data in the native I/O format of the CDPL |
| CCDPL.Chem.CDFReactionInputHandler | A handler for the input of reaction data in the native I/O format of the CDPL |
| CCDPL.Chem.JMEReactionInputHandler | A handler for the input of reaction data in the native I/O format of the JME Molecular Editor [JME] java applet |
| CCDPL.Chem.RDFBZ2ReactionInputHandler | A handler for the input of bzip2-compressed reaction data in the MDL RD-File [CTFILE] format |
| CCDPL.Chem.RDFGZReactionInputHandler | A handler for the input of gzip-compressed reaction data in the MDL RD-File [CTFILE] format |
| CCDPL.Chem.RDFReactionInputHandler | A handler for the input of reaction data in the MDL RD-File [CTFILE] format |
| CCDPL.Chem.RXNReactionInputHandler | A handler for the input of reaction data in the MDL Rxn-File [CTFILE] format |
| CCDPL.Chem.SMARTSReactionInputHandler | A handler for the input of reaction data in the Daylight SMARTS [SMARTS] format |
| CCDPL.Chem.SMILESBZ2ReactionInputHandler | A handler for the input of bzip2-compressed reaction data in the Daylight SMILES [SMILES] format |
| CCDPL.Chem.SMILESGZReactionInputHandler | A handler for the input of gzip-compressed reaction data in the Daylight SMILES [SMILES] format |
| CCDPL.Chem.SMILESReactionInputHandler | A handler for the input of reaction data in the Daylight SMILES [SMILES] format |
| CCDPL.Chem.ReactionIOManager | A singleton class that serves as a global registry for Chem.ReactionInputHandler and Chem.ReactionOutputHandler implementation instances |
| CCDPL.Chem.ReactionIOManager.InputHandlerSequence | |
| CCDPL.Chem.ReactionIOManager.OutputHandlerSequence | |
| CCDPL.Chem.ReactionMatchConstraint | Provides numerical identifiers for built-in Chem.Reaction matching constraints |
| ►CCDPL.Chem.ReactionMatchExpression | A generic boolean expression interface for the implementation of query/target object equivalence tests in molecular graph matching algorithms |
| CCDPL.Chem.NOTReactionMatchExpression | NOTReactionMatchExpression |
| CCDPL.Chem.ReactionAtomMappingMatchExpression | ReactionAtomMappingMatchExpression |
| CCDPL.Chem.ReactionComponentGroupingMatchExpression | ReactionComponentGroupingMatchExpression |
| ►CCDPL.Chem.ReactionMatchExpressionList | |
| CCDPL.Chem.ANDReactionMatchExpressionList | ANDReactionMatchExpressionList |
| CCDPL.Chem.ORReactionMatchExpressionList | ORReactionMatchExpressionList |
| ►CCDPL.Chem.ReactionOutputHandler | A factory interface providing methods for the creation of Chem.ReactionWriterBase instances for data output in a particular storage format |
| CCDPL.Chem.CDFBZ2ReactionOutputHandler | A handler for the output of gzip-compressed reaction data in the native I/O format of the CDPL |
| CCDPL.Chem.CDFGZReactionOutputHandler | A handler for the output of gzip-compressed reaction data in the native I/O format of the CDPL |
| CCDPL.Chem.CDFReactionOutputHandler | A handler for the output of reaction data in the native I/O format of the CDPL |
| CCDPL.Chem.JMEReactionOutputHandler | A handler for the output of reaction data in the native I/O format of the JME Molecular Editor [JME] java applet |
| CCDPL.Chem.RDFBZ2ReactionOutputHandler | A handler for the output of bzip2-compressed reaction data in the MDL RD-File [CTFILE] format |
| CCDPL.Chem.RDFGZReactionOutputHandler | A handler for the output of gzip-compressed reaction data in the MDL RD-File [CTFILE] format |
| CCDPL.Chem.RDFReactionOutputHandler | A handler for the output of reaction data in the MDL RD-File [CTFILE] format |
| CCDPL.Chem.RXNReactionOutputHandler | A handler for the output of reaction data in the MDL Rxn-File [CTFILE] format |
| CCDPL.Chem.SMARTSReactionOutputHandler | A handler for the output of reaction data in the Daylight SMARTS [SMARTS] format |
| CCDPL.Chem.SMILESBZ2ReactionOutputHandler | A handler for the output of bzip2-compressed reaction data in the Daylight SMILES [SMILES] format |
| CCDPL.Chem.SMILESGZReactionOutputHandler | A handler for the output of gzip-compressed reaction data in the Daylight SMILES [SMILES] format |
| CCDPL.Chem.SMILESReactionOutputHandler | A handler for the output of reaction data in the Daylight SMILES [SMILES] format |
| CCDPL.Vis.PDFReactionOutputHandler | A handler for the output of 2D depictions of chemical reactions in the Portable Document Format (PDF) [WPDF] |
| CCDPL.Vis.PNGReactionOutputHandler | A handler for the output of 2D depictions of chemical reactions in the Portable Network Graphics (PNG) [WPNG] format |
| CCDPL.Vis.PSReactionOutputHandler | A handler for the output of 2D depictions of chemical reactions in the PostScript (PS) [WPS] format |
| CCDPL.Vis.SVGReactionOutputHandler | A handler for the output of 2D depictions of chemical reactions in the Scalable Vector Graphics (SVG) [WSVG] format |
| CCDPL.Chem.ReactionProperty | Provides keys for built-in Chem.Reaction properties |
| CCDPL.Chem.ReactionPropertyDefault | Provides default values for built-in Chem.Reaction properties |
| CCDPL.Chem.ReactionRole | Provides constants that are used to specify the role of molecules (components) in a chemical reaction |
| CCDPL.Chem.ReactionSubstructureSearch | ReactionSubstructureSearch |
| CCDPL.Chem.Reactor | Reactor |
| CCDPL.Chem.RECAPAtomLabel | Provides constants for the labeling of atoms in bonds matched by a RECAP fragmentation rule |
| CCDPL.Chem.RECAPRuleID | Provides constants for the identification of RECAP fragmentation rules |
| CCDPL.Chem.ResonanceStructureGenerator | ResonanceStructureGenerator |
| CCDPL.Chem.ResonanceStructureGenerator.StructureData | |
| CCDPL.Chem.SizeTypeAtomFunctor | |
| CCDPL.Chem.SizeTypeAtomMolecularGraphFunctor | |
| CCDPL.Chem.SpatialAtomAlignment | |
| CCDPL.Chem.SpatialEntity3DAlignment | |
| CCDPL.Chem.StereoDescriptor | A data structure for the storage and retrieval of stereochemical information about atoms and bonds |
| CCDPL.Chem.StereoDescriptor.ReferenceAtomArray | |
| CCDPL.Chem.StereoisomerGenerator | StereoisomerGenerator |
| CCDPL.Chem.StereoisomerGenerator.StereoDescriptorArray | |
| 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.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.SubstructureHistogramCalculator | SubstructureHistogramCalculator |
| CCDPL.Chem.SubstructureHistogramCalculator.Pattern | |
| CCDPL.Chem.SubstructureSearch | SubstructureSearch |
| CCDPL.Chem.SurfaceAtomExtractor | SurfaceAtomExtractor |
| CCDPL.Chem.SybylAtomType | Provides constants for the specification of the Tripos Sybyl atom type |
| CCDPL.Chem.SybylBondType | Provides constants for the specification of the Tripos Sybyl bond type |
| CCDPL.Chem.SymmetryClassCalculator | SymmetryClassCalculator |
| ►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.TautomerizationType | Provides constants serving as identifiers for built-in Chem.TautomerizationRule implementations |
| CCDPL.Chem.TautomerScore | TautomerScore |
| CCDPL.Chem.TopologicalAtomAlignment | |
| CCDPL.Chem.TopologicalEntity3DAlignment | |
| CCDPL.Chem.UInt64AtomFunctor | |
| CCDPL.Chem.UInt64AtomMolecularGraphFunctor | |
| CCDPL.Chem.UInt64BondFunctor | |
| CCDPL.Chem.Vector2DAtomFunctor | |
| CCDPL.Chem.Vector3DEntity3DFunctor | |
| CCDPL.Chem.VoidMolecularGraphFunctor | |
| CCDPL.Chem.VoidMoleculeMolecularGraphFunctor | |
| CCDPL.ConfGen.CallbackFunction | A generic wrapper class used to store a user-defined callback functions (see [FUNWRP]) |
| CCDPL.ConfGen.CanonicalFragment.AtomMapping | |
| CCDPL.ConfGen.ConformerGenerator | |
| CCDPL.ConfGen.ConformerGeneratorSettings | |
| CCDPL.ConfGen.ConformerSamplingMode | Provides constants used to specify the employed conformer sampling method |
| CCDPL.ConfGen.ControlParameter | Provides keys for built-in control-parameters |
| CCDPL.ConfGen.ControlParameterDefault | Provides default values for built-in control-parameters |
| CCDPL.ConfGen.DataFormat | Provides preinitialized Base.DataFormat objects for all supported data formats |
| CCDPL.ConfGen.DGConstraintGenerator | |
| CCDPL.ConfGen.DGConstraintGenerator.StereoCenterData | |
| ►CCDPL.ConfGen.DGConstraintGeneratorSettings | |
| CCDPL.ConfGen.DGStructureGeneratorSettings | |
| CCDPL.ConfGen.DGStructureGenerator | |
| CCDPL.ConfGen.ForceFieldType | Provides constants that are used to specify the forcefield that shall be used for 3D coordinates refinement and energy calculations |
| CCDPL.ConfGen.FragmentAssembler | |
| CCDPL.ConfGen.FragmentAssemblerSettings | |
| CCDPL.ConfGen.FragmentConformerGenerator | |
| CCDPL.ConfGen.FragmentConformerGeneratorSettings | |
| CCDPL.ConfGen.FragmentConformerGeneratorSettings.FragmentSettings | |
| CCDPL.ConfGen.FragmentLibrary | |
| CCDPL.ConfGen.FragmentLibraryEntry | FragmentLibraryEntry |
| CCDPL.ConfGen.FragmentLibraryGenerator | FragmentLibraryGenerator |
| CCDPL.ConfGen.FragmentType | Provides constants that are used to describe the nature of fragments used to build-up molecule 3D models |
| CCDPL.ConfGen.LogMessageCallbackFunction | A generic wrapper class used to store a user-defined callback functions |
| CCDPL.ConfGen.NitrogenEnumerationMode | Provides constants that are used to specify the mode of invertible nitrogen enumeration |
| CCDPL.ConfGen.ReturnCode | Provides constants that are used to describe the result of operations related to conformer generation |
| CCDPL.ConfGen.RMSDConformerSelector | |
| CCDPL.ConfGen.StructureGenerationMode | Provides constants used to specify the employed structure generation method |
| CCDPL.ConfGen.StructureGenerator | |
| CCDPL.ConfGen.StructureGeneratorSettings | |
| ►CCDPL.ConfGen.TorsionCategory | |
| CCDPL.ConfGen.TorsionLibrary | |
| CCDPL.ConfGen.TorsionCategory.CategorySequence | |
| CCDPL.ConfGen.TorsionCategory.RuleSequence | |
| CCDPL.ConfGen.TorsionDriver | |
| CCDPL.ConfGen.TorsionDriverSettings | |
| CCDPL.ConfGen.TorsionRule | |
| CCDPL.ConfGen.TorsionRule.AngleEntry | |
| CCDPL.ConfGen.TorsionRuleMatch | |
| CCDPL.ConfGen.TorsionRuleMatch.AtomArray | |
| CCDPL.ConfGen.TorsionRuleMatcher | |
| CCDPL.Descr.AtomAutoCorrelation3DVectorCalculator | AtomAutoCorrelation3DVectorCalculator |
| CCDPL.Descr.AtomRDFCodeCalculator | AtomRDFCodeCalculator |
| CCDPL.Descr.AutoCorrelation2DVectorCalculator | AutoCorrelation2DVectorCalculator |
| CCDPL.Descr.BCUTDescriptorCalculator | BCUTDescriptorCalculator |
| CCDPL.Descr.BurdenMatrixGenerator | BurdenMatrixGenerator |
| CCDPL.Descr.CircularFingerprintGenerator | CircularFingerprintGenerator |
| CCDPL.Descr.CircularFingerprintGenerator.DefAtomIdentifierFunctor | The functor for the generation of ECFP atom identifiers |
| CCDPL.Descr.CircularFingerprintGenerator.DefBondIdentifierFunctor | The default functor for the generation of bond identifiers |
| CCDPL.Descr.FeatureAutoCorrelation3DVectorCalculator | FeatureAutoCorrelation3DVectorCalculator |
| CCDPL.Descr.FeatureRDFCodeCalculator | FeatureRDFCodeCalculator |
| CCDPL.Descr.MolecularComplexityCalculator | MolecularComplexityCalculator |
| CCDPL.Descr.MoleculeAutoCorr2DDescriptorCalculator | MoleculeAutoCorr2DDescriptorCalculator |
| CCDPL.Descr.MoleculeAutoCorr3DDescriptorCalculator | MoleculeAutoCorr3DDescriptorCalculator |
| CCDPL.Descr.MoleculeRDFDescriptorCalculator | MoleculeRDFDescriptorCalculator |
| CCDPL.Descr.PathFingerprintGenerator | PathFingerprintGenerator |
| CCDPL.Descr.PathFingerprintGenerator.DefAtomDescriptorFunctor | The default functor for the generation of atom descriptors |
| CCDPL.Descr.PathFingerprintGenerator.DefBondDescriptorFunctor | The default functor for the generation of bond descriptors |
| CCDPL.Descr.PharmacophoreAutoCorr3DDescriptorCalculator | PharmacophoreAutoCorr3DDescriptorCalculator |
| CCDPL.Descr.PharmacophoreRDFDescriptorCalculator | PharmacophoreRDFDescriptorCalculator |
| CCDPL.ForceField.AtomProperty | Provides keys for built-in Chem.Atom properties |
| CCDPL.ForceField.BondProperty | Provides keys for built-in Chem.Bond properties |
| CCDPL.ForceField.ElasticPotential | |
| CCDPL.ForceField.ElasticPotentialList | |
| CCDPL.ForceField.InteractionFilterFunction2 | |
| CCDPL.ForceField.InteractionFilterFunction3 | |
| CCDPL.ForceField.InteractionFilterFunction4 | |
| CCDPL.ForceField.InteractionType | Provides flags for the specification of a set of force field interaction types |
| CCDPL.ForceField.MMFF94AngleBendingInteraction | |
| CCDPL.ForceField.MMFF94AngleBendingInteractionList | |
| CCDPL.ForceField.MMFF94AngleBendingInteractionParameterizer | |
| CCDPL.ForceField.MMFF94AngleBendingParameterTable | |
| CCDPL.ForceField.MMFF94AngleBendingParameterTable.Entry | |
| CCDPL.ForceField.MMFF94AromaticAtomTypeDefinitionTable | |
| CCDPL.ForceField.MMFF94AromaticAtomTypeDefinitionTable.Entry | |
| CCDPL.ForceField.MMFF94AtomChargeFunction | A generic wrapper class used to store a user-defined MMFF94 partial atom charge function |
| CCDPL.ForceField.MMFF94AtomTypePropertyTable | |
| CCDPL.ForceField.MMFF94AtomTypePropertyTable.Entry | |
| CCDPL.ForceField.MMFF94AtomTyper | |
| CCDPL.ForceField.MMFF94BondChargeIncrementTable | |
| CCDPL.ForceField.MMFF94BondChargeIncrementTable.Entry | |
| CCDPL.ForceField.MMFF94BondStretchingInteraction | |
| CCDPL.ForceField.MMFF94BondStretchingInteractionList | |
| CCDPL.ForceField.MMFF94BondStretchingInteractionParameterizer | |
| CCDPL.ForceField.MMFF94BondStretchingParameterTable | |
| CCDPL.ForceField.MMFF94BondStretchingParameterTable.Entry | |
| CCDPL.ForceField.MMFF94BondStretchingRuleParameterTable | |
| CCDPL.ForceField.MMFF94BondStretchingRuleParameterTable.Entry | |
| CCDPL.ForceField.MMFF94BondTypeIndexFunction | A generic wrapper class used to store a user-defined MMFF94 bond type index function |
| CCDPL.ForceField.MMFF94BondTyper | |
| CCDPL.ForceField.MMFF94ChargeCalculator | |
| CCDPL.ForceField.MMFF94DefaultStretchBendParameterTable | |
| CCDPL.ForceField.MMFF94DefaultStretchBendParameterTable.Entry | |
| CCDPL.ForceField.MMFF94ElectrostaticInteraction | |
| CCDPL.ForceField.MMFF94ElectrostaticInteractionList | |
| CCDPL.ForceField.MMFF94ElectrostaticInteractionParameterizer | |
| CCDPL.ForceField.MMFF94EnergyCalculator | |
| CCDPL.ForceField.MMFF94FormalAtomChargeDefinitionTable | |
| CCDPL.ForceField.MMFF94FormalAtomChargeDefinitionTable.Entry | |
| CCDPL.ForceField.MMFF94GradientCalculator | |
| CCDPL.ForceField.MMFF94HeavyToHydrogenAtomTypeMap | |
| CCDPL.ForceField.MMFF94HeavyToHydrogenAtomTypeMap.Entry | |
| CCDPL.ForceField.MMFF94InteractionData | |
| CCDPL.ForceField.MMFF94InteractionParameterizer | |
| CCDPL.ForceField.MMFF94NumericAtomTypeFunction | A generic wrapper class used to store a user-defined numeric MMFF94 atom type function |
| CCDPL.ForceField.MMFF94OutOfPlaneBendingInteraction | |
| CCDPL.ForceField.MMFF94OutOfPlaneBendingInteractionList | |
| CCDPL.ForceField.MMFF94OutOfPlaneBendingInteractionParameterizer | |
| CCDPL.ForceField.MMFF94OutOfPlaneBendingParameterTable | |
| CCDPL.ForceField.MMFF94OutOfPlaneBendingParameterTable.Entry | |
| CCDPL.ForceField.MMFF94ParameterSet | Provides flags for the specification of the MMFF94 parameter set to use |
| CCDPL.ForceField.MMFF94PartialBondChargeIncrementTable | |
| CCDPL.ForceField.MMFF94PartialBondChargeIncrementTable.Entry | |
| CCDPL.ForceField.MMFF94PrimaryToParameterAtomTypeMap | |
| CCDPL.ForceField.MMFF94PrimaryToParameterAtomTypeMap.Entry | |
| CCDPL.ForceField.MMFF94RingSetFunction | A generic wrapper class used to store a user-defined MMFF94 ring set function |
| CCDPL.ForceField.MMFF94StretchBendInteraction | |
| CCDPL.ForceField.MMFF94StretchBendInteractionList | |
| CCDPL.ForceField.MMFF94StretchBendInteractionParameterizer | |
| CCDPL.ForceField.MMFF94StretchBendParameterTable | |
| CCDPL.ForceField.MMFF94StretchBendParameterTable.Entry | |
| CCDPL.ForceField.MMFF94SymbolicAtomTypeFunction | A generic wrapper class used to store a user-defined symbolic MMFF94 atom type function |
| CCDPL.ForceField.MMFF94SymbolicAtomTypePatternTable | |
| CCDPL.ForceField.MMFF94SymbolicAtomTypePatternTable.Entry | |
| CCDPL.ForceField.MMFF94SymbolicToNumericAtomTypeMap | |
| CCDPL.ForceField.MMFF94SymbolicToNumericAtomTypeMap.Entry | |
| CCDPL.ForceField.MMFF94TorsionInteraction | |
| CCDPL.ForceField.MMFF94TorsionInteractionList | |
| CCDPL.ForceField.MMFF94TorsionInteractionParameterizer | |
| CCDPL.ForceField.MMFF94TorsionParameterTable | |
| CCDPL.ForceField.MMFF94TorsionParameterTable.Entry | |
| CCDPL.ForceField.MMFF94VanDerWaalsAtomParameters | |
| CCDPL.ForceField.MMFF94VanDerWaalsInteraction | |
| CCDPL.ForceField.MMFF94VanDerWaalsInteractionList | |
| CCDPL.ForceField.MMFF94VanDerWaalsInteractionParameterizer | |
| CCDPL.ForceField.MMFF94VanDerWaalsParameterTable | |
| CCDPL.ForceField.MMFF94VanDerWaalsParameterTable.Entry | |
| CCDPL.ForceField.MolecularGraphProperty | Provides keys for built-in Chem.MolecularGraph properties |
| CCDPL.ForceField.TopologicalAtomDistanceFunction | A generic wrapper class used to store a user-defined topological atom-pair distance function |
| CCDPL.ForceField.UFFAtomType | Provides constants for the specification of Universal Force Field (UFF) atom types |
| CCDPL.ForceField.UFFAtomTypePropertyTable | |
| CCDPL.ForceField.UFFAtomTypePropertyTable.Entry | |
| CCDPL.GRAIL.AtomDensityGridCalculator | AtomDensityGridCalculator |
| CCDPL.GRAIL.AttributedGridProperty | Provides keys for built-in Grid.AttributedGrid properties |
| CCDPL.GRAIL.AttributedGridPropertyDefault | Provides default values for built-in Grid.AttributedGrid properties |
| CCDPL.GRAIL.BindingAffinityCalculator | BindingAffinityCalculator |
| CCDPL.GRAIL.BuriednessGridCalculator | BuriednessGridCalculator |
| CCDPL.GRAIL.BuriednessScore | BuriednessScore |
| CCDPL.GRAIL.DoubleVector3DFeatureFunctor | |
| CCDPL.GRAIL.FeatureInteractionScoreGridCalculator | FeatureInteractionScoreGridCalculator |
| CCDPL.GRAIL.FeatureInteractionScoreGridCalculator.MaxScoreFunctor | |
| CCDPL.GRAIL.FeatureInteractionScoreGridCalculator.ScoreSumFunctor | |
| CCDPL.GRAIL.FeatureType | Provides constants for the specification of pharmacophore feature types with extensions for H-bond acceptors and donors |
| CCDPL.GRAIL.GeneralizedBellAtomDensity | GeneralizedBellAtomDensity |
| CCDPL.GRAIL.GRAILDataSetGenerator | GRAILDataSetGenerator |
| CCDPL.GRAIL.GRAILDescriptorCalculator | GRAILDescriptorCalculator |
| CCDPL.GRAIL.GRAILXDescriptorCalculator | GRAILXDescriptorCalculator |
| CCDPL.GRAIL.VoidPharmacophoreFunctor | |
| CCDPL.Grid.AttributedGridProperty | Provides keys for built-in Grid.AttributedGrid properties |
| CCDPL.Grid.AttributedGridPropertyDefault | Provides default values for built-in Grid.AttributedGrid properties |
| CCDPL.Grid.ControlParameter | Provides keys for built-in control-parameters |
| CCDPL.Grid.ControlParameterDefault | Provides default values for built-in control-parameters |
| CCDPL.Grid.DataFormat | Provides preinitialized Base.DataFormat objects for all supported data formats |
| ►CCDPL.Grid.DRegularGridInputHandler | A factory interface providing methods for the creation of Grid.DRegularGridReaderBase instances for reading data provided in a particular storage format |
| CCDPL.Grid.CDFBZ2DRegularGridInputHandler | A handler for the input of bzip2-compressed spatial regular grid data in the native I/O format of the CDPL |
| CCDPL.Grid.CDFDRegularGridInputHandler | A handler for the input of spatial regular grid data in the native I/O format of the CDPL |
| CCDPL.Grid.CDFGZDRegularGridInputHandler | A handler for the input of gzip-compressed spatial regular grid data in the native I/O format of the CDPL |
| CCDPL.Grid.DRegularGridIOManager | A singleton class that serves as a global registry for Grid.DRegularGridInputHandler and Grid.DRegularGridOutputHandler implementation instances |
| CCDPL.Grid.DRegularGridIOManager.InputHandlerSequence | |
| CCDPL.Grid.DRegularGridIOManager.OutputHandlerSequence | |
| ►CCDPL.Grid.DRegularGridOutputHandler | A factory interface providing methods for the creation of Grid.DRegularGridWriterBase instances for data output in a particular storage format |
| CCDPL.Grid.CDFBZ2DRegularGridOutputHandler | A handler for the output of bzip2-compressed spatial regular grid data in the native I/O format of the CDPL |
| CCDPL.Grid.CDFDRegularGridOutputHandler | A handler for the output of spatial regular grid data in the native I/O format of the CDPL |
| CCDPL.Grid.CDFGZDRegularGridOutputHandler | A handler for the output of gzip-compressed spatial regular grid data in the native I/O format of the CDPL |
| CCDPL.Grid.DRegularGridSet | RegularGridSet |
| ►CCDPL.Grid.DRegularGridSetInputHandler | A factory interface providing methods for the creation of Grid.DRegularGridSetReaderBase instances for reading data provided in a particular storage format |
| CCDPL.Grid.CDFBZ2DRegularGridSetInputHandler | A handler for the input of bzip2-compressed spatial regular grid set data in the native I/O format of the CDPL |
| CCDPL.Grid.CDFDRegularGridSetInputHandler | A handler for the input of spatial regular grid set data in the native I/O format of the CDPL |
| CCDPL.Grid.CDFGZDRegularGridSetInputHandler | A handler for the input of gzip-compressed spatial regular grid set data in the native I/O format of the CDPL |
| CCDPL.Grid.DRegularGridSetIOManager | A singleton class that serves as a global registry for Grid.DRegularGridSetInputHandler and Grid.DRegularGridSetOutputHandler implementation instances |
| CCDPL.Grid.DRegularGridSetIOManager.InputHandlerSequence | |
| CCDPL.Grid.DRegularGridSetIOManager.OutputHandlerSequence | |
| ►CCDPL.Grid.DRegularGridSetOutputHandler | A factory interface providing methods for the creation of Grid.DRegularGridSetWriterBase instances for data output in a particular storage format |
| CCDPL.Grid.CDFBZ2DRegularGridSetOutputHandler | A handler for the output of bzip2-compressed spatial regular grid set data in the native I/O format of the CDPL |
| CCDPL.Grid.CDFDRegularGridSetOutputHandler | A handler for the output of spatial regular grid set data in the native I/O format of the CDPL |
| CCDPL.Grid.CDFGZDRegularGridSetOutputHandler | A handler for the output of gzip-compressed spatial regular grid set data in the native I/O format of the CDPL |
| CCDPL.Grid.FRegularGridSet | RegularGridSet |
| ►CCDPL.Math.ConstDGridExpression | |
| CCDPL.Math.DGridExpression | |
| CCDPL.Math.ConstDHomogenousCoordsAdapter | |
| CCDPL.Math.ConstDMatrixColumn | |
| ►CCDPL.Math.ConstDMatrixExpression | |
| CCDPL.Math.DMatrixExpression | |
| CCDPL.Math.ConstDMatrixRange | |
| CCDPL.Math.ConstDMatrixRow | |
| CCDPL.Math.ConstDMatrixSlice | |
| CCDPL.Math.ConstDMatrixTranspose | |
| ►CCDPL.Math.ConstDQuaternionExpression | |
| CCDPL.Math.DQuaternionExpression | |
| CCDPL.Math.ConstDQuaternionVectorAdapter | |
| ►CCDPL.Math.ConstDVectorExpression | |
| CCDPL.Math.DVectorExpression | |
| CCDPL.Math.ConstDVectorQuaternionAdapter | |
| CCDPL.Math.ConstDVectorRange | |
| CCDPL.Math.ConstDVectorSlice | |
| ►CCDPL.Math.ConstFGridExpression | |
| CCDPL.Math.FGridExpression | |
| CCDPL.Math.ConstFHomogenousCoordsAdapter | |
| CCDPL.Math.ConstFMatrixColumn | |
| ►CCDPL.Math.ConstFMatrixExpression | |
| CCDPL.Math.FMatrixExpression | |
| CCDPL.Math.ConstFMatrixRange | |
| CCDPL.Math.ConstFMatrixRow | |
| CCDPL.Math.ConstFMatrixSlice | |
| CCDPL.Math.ConstFMatrixTranspose | |
| ►CCDPL.Math.ConstFQuaternionExpression | |
| CCDPL.Math.FQuaternionExpression | |
| CCDPL.Math.ConstFQuaternionVectorAdapter | |
| ►CCDPL.Math.ConstFVectorExpression | |
| CCDPL.Math.FVectorExpression | |
| CCDPL.Math.ConstFVectorQuaternionAdapter | |
| CCDPL.Math.ConstFVectorRange | |
| CCDPL.Math.ConstFVectorSlice | |
| CCDPL.Math.ConstLHomogenousCoordsAdapter | |
| CCDPL.Math.ConstLMatrixColumn | |
| ►CCDPL.Math.ConstLMatrixExpression | |
| CCDPL.Math.LMatrixExpression | |
| CCDPL.Math.ConstLMatrixRange | |
| CCDPL.Math.ConstLMatrixRow | |
| CCDPL.Math.ConstLMatrixSlice | |
| CCDPL.Math.ConstLMatrixTranspose | |
| CCDPL.Math.ConstLowerTriangularDMatrixAdapter | |
| CCDPL.Math.ConstLowerTriangularFMatrixAdapter | |
| CCDPL.Math.ConstLowerTriangularLMatrixAdapter | |
| CCDPL.Math.ConstLowerTriangularULMatrixAdapter | |
| ►CCDPL.Math.ConstLQuaternionExpression | |
| CCDPL.Math.LQuaternionExpression | |
| CCDPL.Math.ConstLQuaternionVectorAdapter | |
| ►CCDPL.Math.ConstLVectorExpression | |
| CCDPL.Math.LVectorExpression | |
| CCDPL.Math.ConstLVectorQuaternionAdapter | |
| CCDPL.Math.ConstLVectorRange | |
| CCDPL.Math.ConstLVectorSlice | |
| CCDPL.Math.ConstULHomogenousCoordsAdapter | |
| CCDPL.Math.ConstULMatrixColumn | |
| ►CCDPL.Math.ConstULMatrixExpression | |
| CCDPL.Math.ULMatrixExpression | |
| CCDPL.Math.ConstULMatrixRange | |
| CCDPL.Math.ConstULMatrixRow | |
| CCDPL.Math.ConstULMatrixSlice | |
| CCDPL.Math.ConstULMatrixTranspose | |
| ►CCDPL.Math.ConstULQuaternionExpression | |
| CCDPL.Math.ULQuaternionExpression | |
| CCDPL.Math.ConstULQuaternionVectorAdapter | |
| ►CCDPL.Math.ConstULVectorExpression | |
| CCDPL.Math.ULVectorExpression | |
| CCDPL.Math.ConstULVectorQuaternionAdapter | |
| CCDPL.Math.ConstULVectorRange | |
| CCDPL.Math.ConstULVectorSlice | |
| CCDPL.Math.ConstUnitLowerTriangularDMatrixAdapter | |
| CCDPL.Math.ConstUnitLowerTriangularFMatrixAdapter | |
| CCDPL.Math.ConstUnitLowerTriangularLMatrixAdapter | |
| CCDPL.Math.ConstUnitLowerTriangularULMatrixAdapter | |
| CCDPL.Math.ConstUnitUpperTriangularDMatrixAdapter | |
| CCDPL.Math.ConstUnitUpperTriangularFMatrixAdapter | |
| CCDPL.Math.ConstUnitUpperTriangularLMatrixAdapter | |
| CCDPL.Math.ConstUnitUpperTriangularULMatrixAdapter | |
| CCDPL.Math.ConstUpperTriangularDMatrixAdapter | |
| CCDPL.Math.ConstUpperTriangularFMatrixAdapter | |
| CCDPL.Math.ConstUpperTriangularLMatrixAdapter | |
| CCDPL.Math.ConstUpperTriangularULMatrixAdapter | |
| CCDPL.Math.DGrid | An unbounded dense grid holding floating point values of type double |
| CCDPL.Math.DHomogenousCoordsAdapter | |
| CCDPL.Math.DIdentityMatrix | |
| CCDPL.Math.DKabschAlgorithm | |
| CCDPL.Math.DMatrix | An unbounded dense matrix holding floating point values of type double |
| CCDPL.Math.DMatrixColumn | |
| CCDPL.Math.DMatrixRange | |
| CCDPL.Math.DMatrixRow | |
| CCDPL.Math.DMatrixSlice | |
| CCDPL.Math.DMatrixTranspose | |
| CCDPL.Math.DMLRModel | Performs Multiple Linear Regression [WLIREG] on a set of data points \( (y_i, \vec{X}_i) \) |
| CCDPL.Math.DoubleDVector2Functor | |
| CCDPL.Math.DoubleDVectorFunctor | |
| CCDPL.Math.DoubleVector2DArray2Functor | |
| CCDPL.Math.DoubleVector2DArrayFunctor | |
| CCDPL.Math.DoubleVector3DArray2Functor | |
| CCDPL.Math.DoubleVector3DArrayFunctor | |
| CCDPL.Math.DQuaternion | |
| CCDPL.Math.DQuaternionVectorAdapter | |
| CCDPL.Math.DRealQuaternion | |
| ►CCDPL.Math.DRegularSpatialGrid | An unbounded dense regular grid in 3D space holding floating point values of type double |
| CCDPL.Grid.DRegularGrid | RegularGrid |
| CCDPL.Math.DRotationMatrix | |
| CCDPL.Math.DScalarGrid | |
| CCDPL.Math.DScalarMatrix | |
| CCDPL.Math.DScalarVector | |
| CCDPL.Math.DScalingMatrix | |
| CCDPL.Math.DTranslationMatrix | |
| CCDPL.Math.DUnitVector | |
| CCDPL.Math.DVector | An unbounded dense vector holding floating point values of type double |
| CCDPL.Math.DVectorBFGSMinimizer | Fletcher's implementation of the BFGS method |
| CCDPL.Math.DVectorQuaternionAdapter | |
| CCDPL.Math.DVectorRange | |
| CCDPL.Math.DVectorSlice | |
| CCDPL.Math.DZeroGrid | |
| CCDPL.Math.DZeroMatrix | |
| CCDPL.Math.DZeroVector | |
| CCDPL.Math.FGrid | An unbounded dense grid holding floating point values of type float |
| CCDPL.Math.FHomogenousCoordsAdapter | |
| CCDPL.Math.FIdentityMatrix | |
| CCDPL.Math.FKabschAlgorithm | |
| CCDPL.Math.FloatFVector2Functor | |
| CCDPL.Math.FloatFVectorFunctor | |
| CCDPL.Math.FloatVector2FArray2Functor | |
| CCDPL.Math.FloatVector2FArrayFunctor | |
| CCDPL.Math.FloatVector3FArray2Functor | |
| CCDPL.Math.FloatVector3FArrayFunctor | |
| CCDPL.Math.FMatrix | An unbounded dense matrix holding floating point values of type float |
| CCDPL.Math.FMatrixColumn | |
| CCDPL.Math.FMatrixRange | |
| CCDPL.Math.FMatrixRow | |
| CCDPL.Math.FMatrixSlice | |
| CCDPL.Math.FMatrixTranspose | |
| CCDPL.Math.FMLRModel | Performs Multiple Linear Regression [WLIREG] on a set of data points \( (y_i, \vec{X}_i) \) |
| CCDPL.Math.FQuaternion | |
| CCDPL.Math.FQuaternionVectorAdapter | |
| CCDPL.Math.FRealQuaternion | |
| ►CCDPL.Math.FRegularSpatialGrid | An unbounded dense regular grid in 3D space holding floating point values of type float |
| CCDPL.Grid.FRegularGrid | RegularGrid |
| CCDPL.Math.FRotationMatrix | |
| CCDPL.Math.FScalarGrid | |
| CCDPL.Math.FScalarMatrix | |
| CCDPL.Math.FScalarVector | |
| CCDPL.Math.FScalingMatrix | |
| CCDPL.Math.FTranslationMatrix | |
| CCDPL.Math.FUnitVector | |
| CCDPL.Math.FVector | An unbounded dense vector holding floating point values of type float |
| CCDPL.Math.FVectorBFGSMinimizer | Fletcher's implementation of the BFGS method |
| CCDPL.Math.FVectorQuaternionAdapter | |
| CCDPL.Math.FVectorRange | |
| CCDPL.Math.FVectorSlice | |
| CCDPL.Math.FZeroGrid | |
| CCDPL.Math.FZeroMatrix | |
| CCDPL.Math.FZeroVector | |
| CCDPL.Math.LHomogenousCoordsAdapter | |
| CCDPL.Math.LIdentityMatrix | |
| CCDPL.Math.LMatrix | An unbounded dense matrix holding signed integers of type long |
| CCDPL.Math.LMatrixColumn | |
| CCDPL.Math.LMatrixRange | |
| CCDPL.Math.LMatrixRow | |
| CCDPL.Math.LMatrixSlice | |
| CCDPL.Math.LMatrixTranspose | |
| CCDPL.Math.Lower | |
| CCDPL.Math.LQuaternion | |
| CCDPL.Math.LQuaternionVectorAdapter | |
| CCDPL.Math.LRealQuaternion | |
| CCDPL.Math.LRotationMatrix | |
| CCDPL.Math.LScalarMatrix | |
| CCDPL.Math.LScalarVector | |
| CCDPL.Math.LScalingMatrix | |
| CCDPL.Math.LTranslationMatrix | |
| CCDPL.Math.LUnitVector | |
| CCDPL.Math.LVector | An unbounded dense vector holding signed integers of type long |
| CCDPL.Math.LVectorQuaternionAdapter | |
| CCDPL.Math.LVectorRange | |
| CCDPL.Math.LVectorSlice | |
| CCDPL.Math.LZeroMatrix | |
| CCDPL.Math.LZeroVector | |
| CCDPL.Math.Matrix2D | A bounded 2x2 matrix holding floating point values of type double |
| CCDPL.Math.Matrix2F | A bounded 2x2 matrix holding floating point values of type float |
| CCDPL.Math.Matrix2L | A bounded 2x2 matrix holding signed integers of type long |
| CCDPL.Math.Matrix2UL | A bounded 2x2 matrix holding unsigned integers of type unsigned long |
| CCDPL.Math.Matrix3D | A bounded 3x3 matrix holding floating point values of type double |
| CCDPL.Math.Matrix3F | A bounded 3x3 matrix holding floating point values of type float |
| CCDPL.Math.Matrix3L | A bounded 3x3 matrix holding signed integers of type long |
| CCDPL.Math.Matrix3UL | A bounded 3x3 matrix holding unsigned integers of type unsigned long |
| CCDPL.Math.Matrix4D | A bounded 4x4 matrix holding floating point values of type double |
| CCDPL.Math.Matrix4F | A bounded 4x4 matrix holding floating point values of type float |
| CCDPL.Math.Matrix4L | A bounded 4x4 matrix holding signed integers of type long |
| CCDPL.Math.Matrix4UL | A bounded 4x4 matrix holding unsigned integers of type unsigned long |
| CCDPL.Math.Range | |
| CCDPL.Math.Slice | |
| CCDPL.Math.SparseDMatrix | An unbounded sparse matrix holding floating point values of type double |
| CCDPL.Math.SparseDVector | An unbounded sparse vector holding floating point values of type double |
| CCDPL.Math.SparseFMatrix | An unbounded sparse matrix holding floating point values of type float |
| CCDPL.Math.SparseFVector | An unbounded sparse vector holding floating point values of type float |
| CCDPL.Math.SparseLMatrix | An unbounded sparse matrix holding signed integers of type long |
| CCDPL.Math.SparseLVector | An unbounded sparse vector holding signed integers of type long |
| CCDPL.Math.SparseULMatrix | An unbounded sparse matrix holding unsigned integers of type unsigned long |
| CCDPL.Math.SparseULVector | An unbounded sparse vector holding unsigned integers of type unsigned long |
| CCDPL.Math.ULHomogenousCoordsAdapter | |
| CCDPL.Math.ULIdentityMatrix | |
| CCDPL.Math.ULMatrix | An unbounded dense matrix holding unsigned integers of type unsigned long |
| CCDPL.Math.ULMatrixColumn | |
| CCDPL.Math.ULMatrixRange | |
| CCDPL.Math.ULMatrixRow | |
| CCDPL.Math.ULMatrixSlice | |
| CCDPL.Math.ULMatrixTranspose | |
| CCDPL.Math.ULQuaternion | |
| CCDPL.Math.ULQuaternionVectorAdapter | |
| CCDPL.Math.ULRealQuaternion | |
| CCDPL.Math.ULRotationMatrix | |
| CCDPL.Math.ULScalarMatrix | |
| CCDPL.Math.ULScalarVector | |
| CCDPL.Math.ULScalingMatrix | |
| CCDPL.Math.ULTranslationMatrix | |
| CCDPL.Math.ULUnitVector | |
| CCDPL.Math.ULVector | An unbounded dense vector holding unsigned integers of type unsigned long |
| CCDPL.Math.ULVectorQuaternionAdapter | |
| CCDPL.Math.ULVectorRange | |
| CCDPL.Math.ULVectorSlice | |
| CCDPL.Math.ULZeroMatrix | |
| CCDPL.Math.ULZeroVector | |
| CCDPL.Math.UnitLower | |
| CCDPL.Math.UnitUpper | |
| CCDPL.Math.Upper | |
| CCDPL.Math.Vector2D | A bounded 2 element vector holding floating point values of type double |
| ►CCDPL.Math.Vector2DArray | An array of Math.Vector2D objects |
| ►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 |
| CCDPL.Math.Vector2DArrayAlignmentCalculator | |
| CCDPL.Math.Vector2DArrayBFGSMinimizer | |
| CCDPL.Math.Vector2F | A bounded 2 element vector holding floating point values of type float |
| CCDPL.Math.Vector2FArray | An array of Math.Vector2F objects |
| CCDPL.Math.Vector2FArrayAlignmentCalculator | |
| CCDPL.Math.Vector2FArrayBFGSMinimizer | |
| CCDPL.Math.Vector2L | A bounded 2 element vector holding signed integers of type long |
| CCDPL.Math.Vector2LArray | An array of Math.Vector2L objects |
| CCDPL.Math.Vector2UL | A bounded 2 element vector holding unsigned integers of type unsigned long |
| CCDPL.Math.Vector2ULArray | An array of Math.Vector2UL objects |
| CCDPL.Math.Vector3D | A bounded 3 element vector holding floating point values of type double |
| ►CCDPL.Math.Vector3DArray | An array of Math.Vector3D objects |
| CCDPL.ConfGen.ConformerData | |
| CCDPL.Math.Vector3DArrayAlignmentCalculator | |
| CCDPL.Math.Vector3DArrayBFGSMinimizer | |
| CCDPL.Math.Vector3F | A bounded 3 element vector holding floating point values of type float |
| CCDPL.Math.Vector3FArray | An array of Math.Vector3F objects |
| CCDPL.Math.Vector3FArrayAlignmentCalculator | |
| CCDPL.Math.Vector3FArrayBFGSMinimizer | |
| CCDPL.Math.Vector3L | A bounded 3 element vector holding signed integers of type long |
| CCDPL.Math.Vector3LArray | An array of Math.Vector3L objects |
| CCDPL.Math.Vector3UL | A bounded 3 element vector holding unsigned integers of type unsigned long |
| CCDPL.Math.Vector3ULArray | An array of Math.Vector3UL objects |
| CCDPL.Math.Vector4D | A bounded 4 element vector holding floating point values of type double |
| CCDPL.Math.Vector4F | A bounded 4 element vector holding floating point values of type float |
| CCDPL.Math.Vector4L | A bounded 4 element vector holding signed integers of type long |
| CCDPL.Math.Vector4UL | A bounded 4 element vector holding unsigned integers of type unsigned long |
| CCDPL.Math.Vector7D | A bounded 7 element vector holding floating point values of type double |
| CCDPL.MolProp.AtomHydrophobicityCalculator | AtomHydrophobicityCalculator |
| CCDPL.MolProp.AtomProperty | Provides keys for built-in MolProp.Atom properties |
| CCDPL.MolProp.AtomPropertyDefault | Provides default values for built-in Chem.Atom properties |
| CCDPL.MolProp.BondProperty | Provides keys for built-in MolProp.Bond properties |
| CCDPL.MolProp.CoordinationGeometry | Provides constants used to specify the spatial geometry of atom arrangements around a common central atom |
| CCDPL.MolProp.ElementHistogram | A data type for the storage of element histograms of chemical compounds |
| CCDPL.MolProp.HBondAcceptorAtomType | Provides constants used to specify the structural class of H-bond acceptor atoms |
| CCDPL.MolProp.HBondAcceptorAtomTyper | |
| CCDPL.MolProp.HBondDonorAtomType | Provides constants used to specify the structural class of H-bond donor atoms |
| CCDPL.MolProp.HBondDonorAtomTyper | |
| CCDPL.MolProp.LogSCalculator | LogSCalculator |
| CCDPL.MolProp.MassComposition | A data type for the storage of mass percent compositions of chemical compounds |
| CCDPL.MolProp.MHMOPiChargeCalculator | MHMOPiChargeCalculator |
| CCDPL.MolProp.PEOESigmaChargeCalculator | PEOESigmaChargeCalculator |
| CCDPL.MolProp.TPSACalculator | TPSACalculator |
| CCDPL.MolProp.XLogPCalculator | XLogPCalculator |
| CCDPL.Pharm.BoolDoubleFunctor | |
| CCDPL.Pharm.BoolFeature2Functor | |
| CCDPL.Pharm.BoolFeature2Matrix4DFunctor | |
| CCDPL.Pharm.BoolFeature4Functor | |
| CCDPL.Pharm.BoolFeatureFunctor | |
| CCDPL.Pharm.BoolSearchHitDoubleFunctor | |
| CCDPL.Pharm.BoolSizeType2Functor | |
| CCDPL.Pharm.CationPiInteractionConstraint | CationPiInteractionConstraint |
| CCDPL.Pharm.ControlParameter | Provides keys for built-in control-parameters |
| CCDPL.Pharm.ControlParameterDefault | Provides default values for built-in control-parameters |
| CCDPL.Pharm.DataFormat | Provides preinitialized Base.DataFormat objects for all supported data formats |
| CCDPL.Pharm.DoubleDouble2Functor | |
| CCDPL.Pharm.DoubleDoubleFunctor | |
| CCDPL.Pharm.DoubleFeature2Functor | |
| CCDPL.Pharm.DoubleFeature2Matrix4DFunctor | |
| CCDPL.Pharm.DoubleFeature2UIntFunctor | |
| CCDPL.Pharm.DoubleFeatureFunctor | |
| CCDPL.Pharm.DoubleSearchHitFunctor | |
| CCDPL.Pharm.Feature3DCoordinatesFunction | A generic wrapper class used to store a user-defined Pharm.Feature 3D-coordinates function |
| CCDPL.Pharm.FeatureContainerIOManager | A singleton class that serves as a global registry for Pharm.FeatureContainerInputHandler and Pharm.FeatureContainerOutputHandler implementation instances |
| CCDPL.Pharm.FeatureContainerIOManager.InputHandlerSequence | |
| CCDPL.Pharm.FeatureContainerIOManager.OutputHandlerSequence | |
| ►CCDPL.Pharm.FeatureContainerOutputHandler | A factory interface providing methods for the creation of Pharm.FeatureContainerWriterBase instances for data output in a particular storage format |
| CCDPL.Pharm.CDFBZ2FeatureContainerOutputHandler | A handler for the output of bzip2-compressed feature container data in the native I/O format of the CDPL |
| CCDPL.Pharm.CDFFeatureContainerOutputHandler | A handler for the output of feature container data in the native I/O format of the CDPL |
| CCDPL.Pharm.CDFGZFeatureContainerOutputHandler | A handler for the output of gzip-compressed feature container data in the native I/O format of the CDPL |
| CCDPL.Pharm.PMLFeatureContainerOutputHandler | A handler for the output of pharmacophore data in the native I/O format of LigandScout |
| CCDPL.Pharm.FeatureContainerProperty | Provides keys for built-in Pharm.FeatureContainer properties |
| CCDPL.Pharm.FeatureContainerPropertyDefault | Provides default values for built-in Pharm.FeatureContainer properties |
| ►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.FeatureGeometry | Provides constants for the specification of the generic geometry of a pharmacophore feature |
| 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.Pharm.FeatureMapping | A data type for the storage and lookup of arbitrary feature to feature mappings |
| CCDPL.Pharm.SpatialFeatureMapping | SpatialFeatureMapping |
| CCDPL.Pharm.FeaturePairDistanceMatchFunctor | FeaturePairDistanceMatchFunctor |
| CCDPL.Pharm.FeaturePositionMatchFunctor | FeaturePositionMatchFunctor |
| CCDPL.Pharm.FeatureProperty | Provides keys for built-in Pharm.Feature properties |
| CCDPL.Pharm.FeaturePropertyDefault | Provides default values for built-in Pharm.Feature properties |
| CCDPL.Pharm.FeatureType | Provides constants for the specification of the generic type of a pharmacophore feature |
| CCDPL.Pharm.FeatureTypeHistogram | A data type for the storage of feature type histograms of pharmacophores |
| CCDPL.Pharm.FeatureTypeMatchFunctor | FeatureTypeMatchFunctor |
| CCDPL.Pharm.FileScreeningHitCollector | FileScreeningHitCollector |
| CCDPL.Pharm.HBondingInteractionConstraint | HBondingInteractionConstraint |
| ►CCDPL.Pharm.InteractionAnalyzer | InteractionAnalyzer |
| CCDPL.Pharm.DefaultInteractionAnalyzer | DefaultInteractionAnalyzer |
| CCDPL.Pharm.InteractionConstraintConnector | InteractionConstraintConnector |
| CCDPL.Pharm.InteractionPharmacophoreGenerator | InteractionPharmacophoreGenerator |
| CCDPL.Pharm.OrthogonalPiPiInteractionConstraint | OrthogonalPiPiInteractionConstraint |
| CCDPL.Pharm.ParallelPiPiInteractionConstraint | ParallelPiPiInteractionConstraint |
| ►CCDPL.Pharm.PharmacophoreFitScore | PharmacophoreFitScore |
| CCDPL.Pharm.PharmacophoreFitScreeningScore | PharmacophoreFitScreeningScore |
| ►CCDPL.Pharm.PharmacophoreGenerator | PharmacophoreGenerator |
| CCDPL.Pharm.DefaultPharmacophoreGenerator | DefaultPharmacophoreGenerator |
| ►CCDPL.Pharm.PharmacophoreInputHandler | A factory interface providing methods for the creation of Pharm.PharmacophoreReaderBase instances for reading data provided in a particular storage format |
| CCDPL.Pharm.CDFBZ2PharmacophoreInputHandler | A handler for the input of bzip2-compressed pharmacophore data in the native I/O format of the CDPL |
| CCDPL.Pharm.CDFGZPharmacophoreInputHandler | A handler for the input of gzip-compressed pharmacophore data in the native I/O format of the CDPL |
| CCDPL.Pharm.CDFPharmacophoreInputHandler | A handler for the input of pharmacophore data in the native I/O format of the CDPL |
| CCDPL.Pharm.PMLPharmacophoreInputHandler | A handler for the input of pharmacophore data in the native I/O format of LigandScout |
| CCDPL.Pharm.PSDPharmacophoreInputHandler | A handler for the input of pharmacophore data in the PSD-format of the CDPL |
| CCDPL.Pharm.PharmacophoreIOManager | A singleton class that serves as a global registry for Pharm.PharmacophoreInputHandler and Pharm.PharmacophoreOutputHandler implementation instances |
| CCDPL.Pharm.PharmacophoreIOManager.InputHandlerSequence | |
| CCDPL.Pharm.PharmacophoreIOManager.OutputHandlerSequence | |
| ►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.Pharm.ScreeningProcessor.SearchHit | |
| ►CCDPL.Pharm.SpatialFeatureAlignment | |
| CCDPL.Pharm.PharmacophoreAlignment | PharmacophoreAlignment |
| CCDPL.Pharm.TopologicalFeatureAlignment | |
| CCDPL.Pharm.XBondingInteractionConstraint | XBondingInteractionConstraint |
| CCDPL.Shape.AlignedColorTverskyScore | |
| CCDPL.Shape.AlignedShapeTverskyScore | |
| CCDPL.Shape.AlignedTotalOverlapTverskyScore | |
| CCDPL.Shape.AlignedTverskyComboScore | |
| CCDPL.Shape.AlignmentResult | |
| CCDPL.Shape.AlignmentResultSelectionMode | |
| CCDPL.Shape.BoolAlignmentResult2Functor | |
| CCDPL.Shape.BoolSizeType2Functor | |
| CCDPL.Shape.BoolSizeTypeFunctor | |
| CCDPL.Shape.ColorTanimotoScore | |
| CCDPL.Shape.ColorTverskyScore | |
| CCDPL.Shape.DoubleAlignmentResultFunctor | |
| CCDPL.Shape.FastGaussianShapeAlignment | |
| CCDPL.Shape.GaussianShape.Element | |
| CCDPL.Shape.GaussianShapeAlignment | |
| ►CCDPL.Shape.GaussianShapeAlignmentStartGenerator | |
| CCDPL.Shape.PrincipalAxesAlignmentStartGenerator | |
| CCDPL.Shape.GaussianShapeFunction | |
| CCDPL.Shape.GaussianShapeFunctionAlignment | |
| CCDPL.Shape.GaussianShapeFunctionAlignment.Result | |
| CCDPL.Shape.GaussianShapeGenerator | |
| ►CCDPL.Shape.GaussianShapeOverlapFunction | |
| CCDPL.Shape.ExactGaussianShapeOverlapFunction | |
| CCDPL.Shape.FastGaussianShapeOverlapFunction | |
| CCDPL.Shape.GaussianShapeSet | |
| CCDPL.Shape.ReferenceColorTverskyScore | |
| CCDPL.Shape.ReferenceShapeTverskyScore | |
| CCDPL.Shape.ReferenceTotalOverlapTverskyScore | |
| CCDPL.Shape.ReferenceTverskyComboScore | |
| CCDPL.Shape.ScreeningProcessor | |
| CCDPL.Shape.ScreeningSettings | |
| CCDPL.Shape.ShapeTanimotoScore | |
| CCDPL.Shape.ShapeTverskyScore | |
| CCDPL.Shape.SymmetryClass | |
| CCDPL.Shape.TanimotoComboScore | |
| CCDPL.Shape.TotalOverlapTanimotoScore | |
| CCDPL.Shape.TotalOverlapTverskyScore | |
| CCDPL.Shape.TverskyComboScore | |
| CCDPL.Shape.Vector7D | |
| CCDPL.Shape.VoidMolecularGraph2AlignmentResultFunctor | |
| CCDPL.Util.BitSet | A dynamic bitset class |
| CCDPL.Util.BitSetArray | An array of Util.BitSet objects |
| CCDPL.Util.BronKerboschAlgorithm | Implementation of the Bron-Kerbosch clique-detection algorithm [BKA] |
| CCDPL.Util.DArray | An array of double precision floating-point numbers |
| CCDPL.Util.DG2DCoordinatesGenerator | |
| CCDPL.Util.DG2DCoordinatesGenerator.DistanceConstraint | |
| CCDPL.Util.DG2DCoordinatesGenerator.DistanceConstraintList | |
| CCDPL.Util.DG3DCoordinatesGenerator | |
| CCDPL.Util.DG3DCoordinatesGenerator.DistanceConstraint | |
| CCDPL.Util.DG3DCoordinatesGenerator.DistanceConstraintList | |
| CCDPL.Util.DG3DCoordinatesGenerator.VolumeConstraint | |
| CCDPL.Util.DG3DCoordinatesGenerator.VolumeConstraintList | |
| CCDPL.Util.LArray | An array of unsigned integers of type long |
| CCDPL.Util.SArray | An array of std::string objects |
| CCDPL.Util.STArray | An array of unsigned integers of type std::size_t |
| CCDPL.Util.STPair | A pair of unsigned integers of type std::size_t |
| CCDPL.Util.STPairArray | An array of pairs of unsigned integers of type std::size_t |
| CCDPL.Util.UIArray | An array of unsigned integers |
| CCDPL.Vis.Alignment | Provides flags that are used to specify the 2D alignment of graphical objects within a bounded rectangular area |
| CCDPL.Vis.ArrowStyle | Provides constants for the specification of reaction arrow styles in 2D depictions of chemical reactions |
| CCDPL.Vis.AtomColorTable | Provides preinitialized color tables for the visualization of atomic properties |
| CCDPL.Vis.AtomProperty | Provides keys for built-in Chem.Atom properties |
| CCDPL.Vis.AtomPropertyDefault | Provides default values for built-in Vis.Atom properties |
| CCDPL.Vis.BondProperty | Provides keys for built-in Chem.Bond properties |
| CCDPL.Vis.BondPropertyDefault | Provides default values for built-in Vis.Bond properties |
| CCDPL.Vis.Brush | Specifies the fill pattern and fill color of shapes |
| CCDPL.Vis.Color | Specifies a color in terms of its red, green and blue components and an alpha-channel for transparency |
| CCDPL.Vis.ColorTable | A container for the storage and lookup of Vis.Color objects that are associated with a numeric identifier |
| CCDPL.Vis.ControlParameter | Provides keys for built-in control-parameters |
| CCDPL.Vis.ControlParameterDefault | Provides default values for built-in control-parameters |
| CCDPL.Vis.DataFormat | Provides preinitialized Base.DataFormat objects for all supported image output formats |
| 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.CairoBackend.CairoFontMetrics | Implements the FontMetrics interface for the Cairo rendering backend |
| CCDPL.Vis.QtBackend.QtFontMetrics | Implements the FontMetrics interface for the Qt rendering backend |
| ►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.Vis.LayoutDirection | Provides constants that are used to specify the main direction of object layouts |
| CCDPL.Vis.LayoutStyle | Provides constants that are used to specify the layout of a set of graphical objects |
| ►CCDPL.Vis.Line2D | Specifies a line segment in 2D space |
| CCDPL.Vis.LinePrimitive2D | A graphics primitive representing a single line |
| CCDPL.Vis.MolecularGraphProperty | Provides keys for built-in Chem.MolecularGraph properties |
| CCDPL.Vis.MolecularGraphPropertyDefault | Provides default values for built-in Chem.MolecularGraph properties |
| ►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.Vis.Pen | Specifies how to draw lines and outlines of shapes |
| CCDPL.Vis.ReactionProperty | Provides keys for built-in Chem.Reaction properties |
| CCDPL.Vis.ReactionPropertyDefault | Provides default values for built-in Vis.Reaction properties |
| CCDPL.Vis.Rectangle2D | Specifies an axis aligned rectangular area in 2D space |
| ►CCDPL.Vis.Renderer2D | An interface that provides methods for low level 2D drawing operations |
| CCDPL.Vis.CairoBackend.CairoRenderer2D | Implements the Renderer2D interface on top of the Cairo 2D Graphics Library |
| CCDPL.Vis.QtBackend.QtRenderer2D | Implements the Renderer2D interface on top of the Qt Toolkit |
| CCDPL.Vis.SizeAdjustment | Provides constants that are used to specify the size adjustment policy for graphical objects within a bounded rectangular area |
| CCDPL.Vis.SizeSpecification | Specifies the value and type of a size attribute and defines how the value may change during processing steps |
| ►CException | |
| ►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 |
| 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 |
| ►CCDPL.Base.ValueError | Thrown to indicate errors caused by some invalid value |
| CCDPL.Base.NullPointerException | Thrown when an operation requires or expects a valid reference but a None reference 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 | |
| ►CIndexError | |
| CCDPL.Base.IndexError | Thrown to indicate that an index is out of range |
| ►Cobject | |
| CCDPL.Util.PropertyValue | An unary functor that retrieves the value of a given property from the Base.PropertyContainer instance provided as argument |
| CCDPL.Util.PropertyValueProduct | A binary functor that calculates the product of two property values retrieved from a pair of Base.PropertyContainer instances passed as argument |
| CCDPL.Vis.QtBackend.QtObjectFactory | Provides methods for the creation of QFont, QColor, QPen and QBrush objects from Font, Color, Pen and Brush instances |
| ►COSError | |
| CCDPL.Base.IOError | Thrown to indicate that an I/O operation has failed because of physical (e.g |
| ►CValueError | |
| CCDPL.Base.ValueError | Thrown to indicate errors caused by some invalid value |
1.8.20
