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• calcAtomDensityGrid() : CDPL.GRAIL.GRAILDataSetGenerator
• calcCentroid() : CDPL.Shape.GaussianShapeFunction
• calcColorOverlap() : CDPL.Shape.GaussianShapeOverlapFunction
• calcColorOverlaps() : CDPL.Shape.GaussianShapeAlignment , CDPL.Shape.GaussianShapeFunctionAlignment
• calcColorSelfOverlap() : CDPL.Shape.GaussianShapeFunctionAlignment , CDPL.Shape.GaussianShapeOverlapFunction
• calcColorSelfOverlaps() : CDPL.Shape.GaussianShapeAlignment
• calcDensity() : CDPL.Shape.GaussianShapeFunction
• calcInteractionGrids() : CDPL.GRAIL.GRAILDataSetGenerator
• calcOverlap() : CDPL.Shape.GaussianShapeOverlapFunction
• calcOverlapGradient() : CDPL.Shape.GaussianShapeOverlapFunction
• calcQuadrupoleTensor() : CDPL.Shape.GaussianShapeFunction
• calcSelfOverlap() : CDPL.Shape.GaussianShapeFunctionAlignment , CDPL.Shape.GaussianShapeOverlapFunction
• calcSelfOverlaps() : CDPL.Shape.GaussianShapeAlignment
• calcStatistics() : CDPL.Math.DMLRModel , CDPL.Math.FMLRModel
• calcSurfaceArea() : CDPL.Shape.GaussianShapeFunction
• calculate() : CDPL.Chem.Atom2DCoordinatesCalculator , CDPL.Chem.BondOrderCalculator , CDPL.Chem.BondStereoFlagCalculator , CDPL.Chem.CanonicalNumberingCalculator , CDPL.Chem.CIPPriorityCalculator , CDPL.Chem.HashCodeCalculator , CDPL.Chem.Hydrogen3DCoordinatesCalculator , CDPL.Chem.KekuleStructureCalculator , CDPL.Chem.MorganNumberingCalculator , CDPL.Chem.SubstructureHistogramCalculator , CDPL.Chem.SymmetryClassCalculator , CDPL.Descr.AtomAutoCorrelation3DVectorCalculator , CDPL.Descr.AtomRDFCodeCalculator , CDPL.Descr.AutoCorrelation2DVectorCalculator , CDPL.Descr.BCUTDescriptorCalculator , CDPL.Descr.FeatureAutoCorrelation3DVectorCalculator , CDPL.Descr.FeatureRDFCodeCalculator , CDPL.Descr.MolecularComplexityCalculator , CDPL.Descr.MoleculeAutoCorr2DDescriptorCalculator , CDPL.Descr.MoleculeAutoCorr3DDescriptorCalculator , CDPL.Descr.MoleculeRDFDescriptorCalculator , CDPL.Descr.PharmacophoreAutoCorr3DDescriptorCalculator , CDPL.Descr.PharmacophoreRDFDescriptorCalculator , CDPL.ForceField.MMFF94ChargeCalculator , CDPL.GRAIL.AtomDensityGridCalculator , CDPL.GRAIL.BuriednessGridCalculator , CDPL.GRAIL.FeatureInteractionScoreGridCalculator , CDPL.GRAIL.GRAILDescriptorCalculator , CDPL.GRAIL.GRAILXDescriptorCalculator , CDPL.Math.Vector2DArrayAlignmentCalculator , CDPL.Math.Vector2FArrayAlignmentCalculator , CDPL.Math.Vector3DArrayAlignmentCalculator , CDPL.Math.Vector3FArrayAlignmentCalculator , CDPL.MolProp.AtomHydrophobicityCalculator , CDPL.MolProp.LogSCalculator , CDPL.MolProp.MHMOPiChargeCalculator , CDPL.MolProp.PEOESigmaChargeCalculator , CDPL.MolProp.TPSACalculator , CDPL.MolProp.XLogPCalculator
• calcVolume() : CDPL.Shape.GaussianShapeFunction
• calcYValue() : CDPL.Math.DMLRModel , CDPL.Math.FMLRModel
• carbonBond12ChargesMinimized() : CDPL.Chem.ResonanceStructureGenerator
• checkAtomConfigurations() : CDPL.ConfGen.DGStructureGenerator
• checkBondConfigurations() : CDPL.ConfGen.DGStructureGenerator
• checkXVolumeClashes() : CDPL.Pharm.ScreeningProcessor
• chiralityIncluded() : CDPL.Descr.CircularFingerprintGenerator
• clear() : CDPL.Chem.AtomBondMapping , CDPL.Chem.AtomMapping , CDPL.Chem.AtomMatchExpressionList , CDPL.Chem.BondMapping , CDPL.Chem.BondMatchExpressionList , CDPL.Chem.ElectronSystem , CDPL.Chem.Fragment , CDPL.Chem.FragmentList , CDPL.Chem.MolecularGraphMatchExpressionList , CDPL.Chem.Molecule , CDPL.Chem.Reaction , CDPL.Chem.ReactionMatchExpressionList , CDPL.Math.DGrid , CDPL.Math.DMatrix , CDPL.Math.DRegularSpatialGrid , CDPL.Math.DVector , CDPL.Math.FGrid , CDPL.Math.FMatrix , CDPL.Math.FRegularSpatialGrid , CDPL.Math.FVector , CDPL.Math.LMatrix , CDPL.Math.LVector , CDPL.Math.Matrix2D , CDPL.Math.Matrix2F , CDPL.Math.Matrix2L , CDPL.Math.Matrix2UL , CDPL.Math.Matrix3D , CDPL.Math.Matrix3F , CDPL.Math.Matrix3L , CDPL.Math.Matrix3UL , CDPL.Math.Matrix4D , CDPL.Math.Matrix4F , CDPL.Math.Matrix4L , CDPL.Math.Matrix4UL , CDPL.Math.ULMatrix , CDPL.Math.ULVector , CDPL.Math.Vector2D , CDPL.Math.Vector2DArray , CDPL.Math.Vector2F , CDPL.Math.Vector2FArray , CDPL.Math.Vector2L , CDPL.Math.Vector2LArray , CDPL.Math.Vector2UL , CDPL.Math.Vector2ULArray , CDPL.Math.Vector3D , CDPL.Math.Vector3DArray , CDPL.Math.Vector3F , CDPL.Math.Vector3FArray , CDPL.Math.Vector3L , CDPL.Math.Vector3LArray , CDPL.Math.Vector3UL , CDPL.Math.Vector3ULArray , CDPL.Math.Vector4D , CDPL.Math.Vector4F , CDPL.Math.Vector4L , CDPL.Math.Vector4UL , CDPL.Math.Vector7D , CDPL.MolProp.ElementHistogram , CDPL.Pharm.FeatureMapping , CDPL.Pharm.FeatureSet , CDPL.Pharm.FeatureTypeHistogram , CDPL.Pharm.Pharmacophore , CDPL.Shape.Vector7D , CDPL.Util.BitSetArray , CDPL.Util.DArray , CDPL.Util.LArray , CDPL.Util.SArray , CDPL.Util.STArray , CDPL.Util.STPairArray , CDPL.Util.UIArray , CDPL.Vis.Path2D
• clearAtomMappingConstraints() : CDPL.Chem.AutomorphismGroupSearch , CDPL.Chem.SubstructureSearch
• clearBondMappingConstraints() : CDPL.Chem.AutomorphismGroupSearch , CDPL.Chem.SubstructureSearch
• clearClipPath() : CDPL.Vis.CairoBackend.CairoRenderer2D , CDPL.Vis.QtBackend.QtRenderer2D , CDPL.Vis.Renderer2D
• clearDataSet() : CDPL.Math.DMLRModel , CDPL.Math.FMLRModel
• clearEnabledFeatures() : CDPL.Pharm.PharmacophoreGenerator
• clearEnabledInteractions() : CDPL.GRAIL.GRAILDataSetGenerator
• clearEntities() : CDPL.Chem.SpatialAtomAlignment , CDPL.Chem.SpatialEntity3DAlignment , CDPL.Chem.TopologicalAtomAlignment , CDPL.Chem.TopologicalEntity3DAlignment , CDPL.Pharm.SpatialFeatureAlignment , CDPL.Pharm.TopologicalFeatureAlignment
• clearExcludePatterns() : CDPL.Pharm.PatternBasedFeatureGenerator
• clearFileExtensions() : CDPL.Base.DataFormat
• clearIncludePatterns() : CDPL.Pharm.PatternBasedFeatureGenerator
• clearInputCoordinates() : CDPL.ConfGen.TorsionDriver
• clearIOCallbacks() : CDPL.Base.DataIOBase
• clearParameters() : CDPL.Base.ControlParameterContainer
• clearProperties() : CDPL.Base.PropertyContainer
• clipBeginAgainstLineSeg() : CDPL.Vis.Line2D
• clipBeginAgainstRectangle() : CDPL.Vis.Line2D
• clipEndAgainstLineSeg() : CDPL.Vis.Line2D
• clipEndAgainstRectangle() : CDPL.Vis.Line2D
• clone() : CDPL.Chem.MolecularGraph , CDPL.Chem.Reaction , CDPL.Chem.TautomerizationRule , CDPL.Pharm.FeatureGenerator , CDPL.Pharm.Pharmacophore , CDPL.Pharm.PharmacophoreGenerator , CDPL.Vis.GraphicsPrimitive2D
• close() : CDPL.Chem.MolecularGraphWriterBase , CDPL.Chem.MoleculeReaderBase , CDPL.Chem.ReactionReaderBase , CDPL.Chem.ReactionWriterBase , CDPL.Grid.DRegularGridReaderBase , CDPL.Grid.DRegularGridSetReaderBase , CDPL.Grid.DRegularGridSetWriterBase , CDPL.Grid.DRegularGridWriterBase , CDPL.Pharm.FeatureContainerWriterBase , CDPL.Pharm.PharmacophoreReaderBase
• closePath() : CDPL.Vis.Path2D , CDPL.Vis.Path2DConverter
• connected() : CDPL.Chem.ElectronSystem
• contains() : CDPL.Chem.ElectronSystem
• containsAtom() : CDPL.Chem.Atom , CDPL.Chem.AtomContainer , CDPL.Chem.Bond , CDPL.Chem.MolecularGraph , CDPL.Chem.Molecule
• containsBond() : CDPL.Chem.Atom , CDPL.Chem.BondContainer , CDPL.Chem.MolecularGraph , CDPL.Chem.Molecule
• containsComponent() : CDPL.Chem.Reaction
• containsEntry() : CDPL.Biomol.ResidueDictionary , CDPL.Chem.AtomDictionary , CDPL.ConfGen.FragmentLibrary , CDPL.MolProp.ElementHistogram , CDPL.MolProp.MassComposition , CDPL.Pharm.FeatureTypeHistogram , CDPL.Vis.ColorTable
• containsFeature() : CDPL.Pharm.FeatureContainer , CDPL.Pharm.Pharmacophore
• containsLocalPoint() : CDPL.Math.DRegularSpatialGrid , CDPL.Math.FRegularSpatialGrid
• containsPoint() : CDPL.Math.DRegularSpatialGrid , CDPL.Math.FRegularSpatialGrid , CDPL.Vis.Line2D , CDPL.Vis.Rectangle2D
• containsRecord() : CDPL.Biomol.PDBData
• containsRectangle() : CDPL.Vis.Rectangle2D
• convert() : CDPL.Vis.Path2D
• copy() : CDPL.Chem.BasicMolecule , CDPL.Chem.BasicReaction , CDPL.Chem.Molecule , CDPL.Chem.Reaction , CDPL.Pharm.BasicPharmacophore , CDPL.Pharm.Pharmacophore
• copyParameters() : CDPL.Base.ControlParameterContainer
• copyProperties() : CDPL.Base.PropertyContainer
• create() : CDPL.Base.LookupKey , CDPL.ConfGen.CanonicalFragment
• createQBrush() : CDPL.Vis.QtBackend.QtObjectFactory
• createQColor() : CDPL.Vis.QtBackend.QtObjectFactory
• createQFont() : CDPL.Vis.QtBackend.QtObjectFactory
• createQPainterPath() : CDPL.Vis.QtBackend.QtObjectFactory
• createQPen() : CDPL.Vis.QtBackend.QtObjectFactory
• createReader() : CDPL.Chem.MolecularGraphInputHandler , CDPL.Chem.MoleculeInputHandler , CDPL.Chem.ReactionInputHandler , CDPL.Grid.DRegularGridInputHandler , CDPL.Grid.DRegularGridSetInputHandler , CDPL.Pharm.PharmacophoreInputHandler
• createWriter() : CDPL.Chem.MolecularGraphOutputHandler , CDPL.Chem.MoleculeOutputHandler , CDPL.Chem.ReactionOutputHandler , CDPL.Grid.DRegularGridOutputHandler , CDPL.Grid.DRegularGridSetOutputHandler , CDPL.Pharm.FeatureContainerOutputHandler