Here is a list of all documented class members with links to the class documentation for each member:
- c -
- C
: CDPL.Chem.AtomType
- C_1
: CDPL.Chem.SybylAtomType
- C_2
: CDPL.Chem.SybylAtomType
- C_3
: CDPL.Chem.SybylAtomType
- C_ar
: CDPL.Chem.SybylAtomType
- C_cat
: CDPL.Chem.SybylAtomType
- Ca
: CDPL.Chem.AtomType
, CDPL.Chem.SybylAtomType
- 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
- CATALYST
: CDPL.Chem.ReactionRole
- CAVEAT
: CDPL.Biomol.PDBData.RecordType
- Cd
: CDPL.Chem.AtomType
- CDF
: CDPL.Chem.DataFormat
, CDPL.Grid.DataFormat
, CDPL.Pharm.DataFormat
- CDF_BZ2
: CDPL.Chem.DataFormat
, CDPL.Grid.DataFormat
, CDPL.Pharm.DataFormat
- CDF_GZ
: CDPL.Chem.DataFormat
, CDPL.Grid.DataFormat
, CDPL.Pharm.DataFormat
- Ce
: CDPL.Chem.AtomType
- CELL
: CDPL.Math.DRegularSpatialGrid.DataMode
, CDPL.Math.FRegularSpatialGrid.DataMode
- CENTER
: CDPL.Vis.Alignment
- Cf
: CDPL.Chem.AtomType
- CFL
: CDPL.ConfGen.DataFormat
- CHARGE
: CDPL.Chem.AtomMatchConstraint
- CHARGES_REMOVED
: CDPL.Chem.ChEMBLStandardizer.ChangeFlags
- CHECK_LINE_LENGTH
: CDPL.Biomol.ControlParameter
, CDPL.Biomol.ControlParameterDefault
, CDPL.Chem.ControlParameter
, CDPL.Chem.ControlParameterDefault
- checkAtomConfigurations()
: CDPL.ConfGen.DGStructureGenerator
- checkBondConfigurations()
: CDPL.ConfGen.DGStructureGenerator
- checkXVolumeClashes()
: CDPL.Pharm.ScreeningProcessor
- chiralityIncluded()
: CDPL.Descr.CircularFingerprintGenerator
- CIP_CONFIGURATION
: CDPL.Chem.AtomPropertyFlag
, CDPL.Chem.BondPropertyFlag
- CIS
: CDPL.Chem.BondConfiguration
- CISPEP
: CDPL.Biomol.PDBData.RecordType
- Cl
: CDPL.Chem.AtomType
, CDPL.Chem.SybylAtomType
- 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
- Cm
: CDPL.Chem.AtomType
- Co
: CDPL.Chem.AtomType
- Co_oh
: CDPL.Chem.SybylAtomType
- COLOR
: CDPL.Vis.AtomProperty
, CDPL.Vis.BondProperty
- COLOR_FEATURE_CENTERS
: CDPL.Shape.ScreeningSettings.AlignmentMode
- COMPND
: CDPL.Biomol.PDBData.RecordType
- COMPONENT_GROUPING
: CDPL.Chem.MolecularGraphMatchConstraint
, CDPL.Chem.ReactionMatchConstraint
- COMPONENT_LAYOUT
: CDPL.Vis.ReactionProperty
- COMPONENT_LAYOUT_DIRECTION
: CDPL.Vis.ReactionProperty
- COMPONENT_MARGIN
: CDPL.Vis.ReactionProperty
- CONFIGURATION
: CDPL.Chem.AtomMatchConstraint
, CDPL.Chem.AtomPropertyFlag
, CDPL.Chem.BondMatchConstraint
, CDPL.Chem.BondPropertyFlag
- CONFIGURATION_LABEL_FONT
: CDPL.Vis.AtomProperty
, CDPL.Vis.BondProperty
- CONFIGURATION_LABEL_SIZE
: CDPL.Vis.AtomProperty
, CDPL.Vis.BondProperty
- connected()
: CDPL.Chem.ElectronSystem
- CONSTRAINT_LIST
: CDPL.Chem.AtomMatchConstraint
, CDPL.Chem.BondMatchConstraint
, CDPL.Chem.MolecularGraphMatchConstraint
, CDPL.Chem.ReactionMatchConstraint
- 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
- COORDINATES_DIMENSION
: CDPL.Chem.ControlParameter
, CDPL.Chem.ControlParameterDefault
- 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
- Cr
: CDPL.Chem.AtomType
- Cr_oh
: CDPL.Chem.SybylAtomType
- Cr_th
: CDPL.Chem.SybylAtomType
- create()
: CDPL.Base.LookupKey
, CDPL.ConfGen.CanonicalFragment
- CREATE
: CDPL.Pharm.ScreeningDBCreator.Mode
- 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
- CROSS_PATTERN
: CDPL.Vis.Brush.Style
- CRYST1
: CDPL.Biomol.PDBData.RecordType
- Cs
: CDPL.Chem.AtomType
- Cu
: CDPL.Chem.AtomType
, CDPL.Chem.SybylAtomType
- CYAN
: CDPL.Vis.Color