Here is a list of all documented class members with links to the class documentation for each member:
- r -
- R
: CDPL.Chem.AtomConfiguration
- r
: CDPL.Chem.CIPDescriptor
- R
: CDPL.Chem.CIPDescriptor
- Ra
: CDPL.Chem.AtomType
- RADICAL_ELECTRON_DOT_SIZE
: CDPL.Vis.AtomProperty
, CDPL.Vis.ControlParameter
, CDPL.Vis.ControlParameterDefault
, CDPL.Vis.MolecularGraphProperty
- RANDOM
: CDPL.Shape.ScreeningSettings.AlignmentMode
- Rb
: CDPL.Chem.AtomType
- RDF
: CDPL.Chem.DataFormat
- RDF_BZ2
: CDPL.Chem.DataFormat
- RDF_GZ
: CDPL.Chem.DataFormat
- Re
: CDPL.Chem.AtomType
- REACTANT
: CDPL.Chem.ReactionRole
- REACTION_AGENT_ALIGNMENT
: CDPL.Vis.ControlParameter
, CDPL.Vis.ControlParameterDefault
- REACTION_AGENT_LAYOUT
: CDPL.Vis.ControlParameter
, CDPL.Vis.ControlParameterDefault
- REACTION_AGENT_LAYOUT_DIRECTION
: CDPL.Vis.ControlParameter
, CDPL.Vis.ControlParameterDefault
- REACTION_ARROW_COLOR
: CDPL.Vis.ControlParameter
, CDPL.Vis.ControlParameterDefault
- REACTION_ARROW_HEAD_LENGTH
: CDPL.Vis.ControlParameter
, CDPL.Vis.ControlParameterDefault
- REACTION_ARROW_HEAD_WIDTH
: CDPL.Vis.ControlParameter
, CDPL.Vis.ControlParameterDefault
- REACTION_ARROW_LENGTH
: CDPL.Vis.ControlParameter
, CDPL.Vis.ControlParameterDefault
- REACTION_ARROW_LINE_WIDTH
: CDPL.Vis.ControlParameter
, CDPL.Vis.ControlParameterDefault
- REACTION_ARROW_SHAFT_WIDTH
: CDPL.Vis.ControlParameter
, CDPL.Vis.ControlParameterDefault
- REACTION_ARROW_STYLE
: CDPL.Vis.ControlParameter
, CDPL.Vis.ControlParameterDefault
- REACTION_CENTER_LINE_LENGTH
: CDPL.Vis.BondProperty
, CDPL.Vis.ControlParameter
, CDPL.Vis.ControlParameterDefault
, CDPL.Vis.MolecularGraphProperty
- REACTION_CENTER_LINE_SPACING
: CDPL.Vis.BondProperty
, CDPL.Vis.ControlParameter
, CDPL.Vis.ControlParameterDefault
, CDPL.Vis.MolecularGraphProperty
- REACTION_CENTER_STATUS
: CDPL.Chem.BondMatchConstraint
- REACTION_COMPONENT_LAYOUT
: CDPL.Vis.ControlParameter
, CDPL.Vis.ControlParameterDefault
- REACTION_COMPONENT_LAYOUT_DIRECTION
: CDPL.Vis.ControlParameter
, CDPL.Vis.ControlParameterDefault
- REACTION_COMPONENT_MARGIN
: CDPL.Vis.ControlParameter
, CDPL.Vis.ControlParameterDefault
- REACTION_HOLLOW
: CDPL.Vis.ArrowStyle
- REACTION_PLUS_SIGN_COLOR
: CDPL.Vis.ControlParameter
, CDPL.Vis.ControlParameterDefault
- REACTION_PLUS_SIGN_LINE_WIDTH
: CDPL.Vis.ControlParameter
, CDPL.Vis.ControlParameterDefault
- REACTION_PLUS_SIGN_SIZE
: CDPL.Vis.ControlParameter
, CDPL.Vis.ControlParameterDefault
- REACTION_SOLID
: CDPL.Vis.ArrowStyle
- read()
: CDPL.Base.FileIOStream
, CDPL.Base.StringIOStream
, CDPL.Chem.MoleculeReaderBase
, CDPL.Chem.ReactionReaderBase
, CDPL.Grid.DRegularGridReaderBase
, CDPL.Grid.DRegularGridSetReaderBase
, CDPL.Pharm.PharmacophoreReaderBase
, CDPL.Util.BZip2IOStream
, CDPL.Util.BZip2IStream
, CDPL.Util.GZipIOStream
, CDPL.Util.GZipIStream
- readline()
: CDPL.Base.FileIOStream
, CDPL.Base.StringIOStream
, CDPL.Util.BZip2IOStream
, CDPL.Util.BZip2IStream
, CDPL.Util.GZipIOStream
, CDPL.Util.GZipIStream
- readlines()
: CDPL.Base.FileIOStream
, CDPL.Base.StringIOStream
, CDPL.Util.BZip2IOStream
, CDPL.Util.BZip2IStream
, CDPL.Util.GZipIOStream
, CDPL.Util.GZipIStream
- RECORD_SEPARATOR
: CDPL.Chem.ControlParameter
, CDPL.Chem.ControlParameterDefault
- RED
: CDPL.Vis.Color
- regardAtomConfiguration()
: CDPL.ConfGen.DGConstraintGeneratorSettings
- regardBondConfiguration()
: CDPL.ConfGen.DGConstraintGeneratorSettings
- regardIsotopes()
: CDPL.Chem.TautomerGenerator
- regardStereochemistry()
: CDPL.Chem.TautomerGenerator
- registerCopyPostprocessingFunction()
: CDPL.Chem.Molecule
, CDPL.Chem.Reaction
- registerInputHandler()
: CDPL.Chem.MolecularGraphIOManager
, CDPL.Chem.MoleculeIOManager
, CDPL.Chem.ReactionIOManager
, CDPL.Grid.DRegularGridIOManager
, CDPL.Grid.DRegularGridSetIOManager
, CDPL.Pharm.FeatureContainerIOManager
, CDPL.Pharm.PharmacophoreIOManager
- registerIOCallback()
: CDPL.Base.DataIOBase
- registerOutputHandler()
: CDPL.Chem.MolecularGraphIOManager
, CDPL.Chem.MoleculeIOManager
, CDPL.Chem.ReactionIOManager
, CDPL.Grid.DRegularGridIOManager
, CDPL.Grid.DRegularGridSetIOManager
, CDPL.Pharm.FeatureContainerIOManager
, CDPL.Pharm.PharmacophoreIOManager
- registerParameterChangedCallback()
: CDPL.Base.ControlParameterContainer
- registerParameterRemovedCallback()
: CDPL.Base.ControlParameterContainer
- registerParentChangedCallback()
: CDPL.Base.ControlParameterContainer
- REMARK
: CDPL.Biomol.PDBData.RecordType
- remove()
: CDPL.Chem.Molecule
, CDPL.Pharm.Pharmacophore
- removeAngle()
: CDPL.ConfGen.TorsionRule
- removeAtom()
: CDPL.Chem.ElectronSystem
, CDPL.Chem.Fragment
, CDPL.Chem.Molecule
- removeBond()
: CDPL.Chem.Fragment
, CDPL.Chem.Molecule
- removeCategory()
: CDPL.ConfGen.TorsionCategory
- removeComponent()
: CDPL.Chem.Reaction
- removeComponents()
: CDPL.Chem.Reaction
- removeConstraintFunction()
: CDPL.Pharm.InteractionAnalyzer
- removeDistanceConstraint()
: CDPL.Util.DG2DCoordinatesGenerator
, CDPL.Util.DG3DCoordinatesGenerator
- removeElement()
: CDPL.Chem.AtomMatchExpressionList
, CDPL.Chem.BondMatchExpressionList
, CDPL.Chem.ElectronSystemList
, CDPL.Chem.FragmentList
, CDPL.Chem.MatchConstraintList
, CDPL.Chem.MolecularGraphMatchExpressionList
, CDPL.Chem.ReactionMatchExpressionList
, CDPL.Chem.StringDataBlock
, CDPL.ForceField.ElasticPotentialList
, CDPL.ForceField.MMFF94AngleBendingInteractionList
, CDPL.ForceField.MMFF94BondStretchingInteractionList
, CDPL.ForceField.MMFF94ElectrostaticInteractionList
, CDPL.ForceField.MMFF94OutOfPlaneBendingInteractionList
, CDPL.ForceField.MMFF94StretchBendInteractionList
, CDPL.ForceField.MMFF94TorsionInteractionList
, CDPL.ForceField.MMFF94VanDerWaalsInteractionList
, CDPL.Grid.DRegularGridSet
, CDPL.Grid.FRegularGridSet
, CDPL.Math.Vector2DArray
, CDPL.Math.Vector2FArray
, CDPL.Math.Vector2LArray
, CDPL.Math.Vector2ULArray
, CDPL.Math.Vector3DArray
, CDPL.Math.Vector3FArray
, CDPL.Math.Vector3LArray
, CDPL.Math.Vector3ULArray
, CDPL.Shape.GaussianShape
, CDPL.Shape.GaussianShapeSet
, CDPL.Util.BitSetArray
, CDPL.Util.DArray
, CDPL.Util.LArray
, CDPL.Util.SArray
, CDPL.Util.STArray
, CDPL.Util.STPairArray
, CDPL.Util.UIArray
- removeElements()
: CDPL.Chem.AtomMatchExpressionList
, CDPL.Chem.BondMatchExpressionList
, CDPL.Chem.ElectronSystemList
, CDPL.Chem.FragmentList
, CDPL.Chem.MatchConstraintList
, CDPL.Chem.MolecularGraphMatchExpressionList
, CDPL.Chem.ReactionMatchExpressionList
, CDPL.Chem.StringDataBlock
, CDPL.ForceField.ElasticPotentialList
, CDPL.ForceField.MMFF94AngleBendingInteractionList
, CDPL.ForceField.MMFF94BondStretchingInteractionList
, CDPL.ForceField.MMFF94ElectrostaticInteractionList
, CDPL.ForceField.MMFF94OutOfPlaneBendingInteractionList
, CDPL.ForceField.MMFF94StretchBendInteractionList
, CDPL.ForceField.MMFF94TorsionInteractionList
, CDPL.ForceField.MMFF94VanDerWaalsInteractionList
, CDPL.Grid.DRegularGridSet
, CDPL.Grid.FRegularGridSet
, CDPL.Math.Vector2DArray
, CDPL.Math.Vector2FArray
, CDPL.Math.Vector2LArray
, CDPL.Math.Vector2ULArray
, CDPL.Math.Vector3DArray
, CDPL.Math.Vector3FArray
, CDPL.Math.Vector3LArray
, CDPL.Math.Vector3ULArray
, CDPL.Shape.GaussianShapeSet
, CDPL.Util.BitSetArray
, CDPL.Util.DArray
, CDPL.Util.LArray
, CDPL.Util.SArray
, CDPL.Util.STArray
, CDPL.Util.STPairArray
, CDPL.Util.UIArray
- removeEntries()
: CDPL.Chem.AtomMapping
, CDPL.Chem.BondMapping
, CDPL.Chem.Entity3DMapping
, CDPL.Pharm.FeatureMapping
- removeEntry()
: CDPL.Biomol.ResidueDictionary
, CDPL.Chem.AtomDictionary
, CDPL.Chem.AtomMapping
, CDPL.Chem.BondMapping
, CDPL.Chem.Entity3DMapping
, CDPL.ConfGen.FragmentLibrary
, CDPL.ForceField.MMFF94AngleBendingParameterTable
, CDPL.ForceField.MMFF94AromaticAtomTypeDefinitionTable
, CDPL.ForceField.MMFF94AtomTypePropertyTable
, CDPL.ForceField.MMFF94BondChargeIncrementTable
, CDPL.ForceField.MMFF94BondStretchingParameterTable
, CDPL.ForceField.MMFF94BondStretchingRuleParameterTable
, CDPL.ForceField.MMFF94DefaultStretchBendParameterTable
, CDPL.ForceField.MMFF94FormalAtomChargeDefinitionTable
, CDPL.ForceField.MMFF94HeavyToHydrogenAtomTypeMap
, CDPL.ForceField.MMFF94OutOfPlaneBendingParameterTable
, CDPL.ForceField.MMFF94PartialBondChargeIncrementTable
, CDPL.ForceField.MMFF94PrimaryToParameterAtomTypeMap
, CDPL.ForceField.MMFF94StretchBendParameterTable
, CDPL.ForceField.MMFF94SymbolicAtomTypePatternTable
, CDPL.ForceField.MMFF94SymbolicToNumericAtomTypeMap
, CDPL.ForceField.MMFF94TorsionParameterTable
, CDPL.ForceField.MMFF94VanDerWaalsParameterTable
, CDPL.ForceField.UFFAtomTypePropertyTable
, CDPL.MolProp.ElementHistogram
, CDPL.MolProp.MassComposition
, CDPL.Pharm.FeatureMapping
, CDPL.Pharm.FeatureTypeHistogram
, CDPL.Vis.ColorTable
- removeExcludePattern()
: CDPL.Chem.FragmentGenerator
- removeFeature()
: CDPL.Pharm.FeatureSet
, CDPL.Pharm.Pharmacophore
- removeFeatureGenerator()
: CDPL.Pharm.PharmacophoreGenerator
- removeFileExtension()
: CDPL.Base.DataFormat
- removeFragmentationRule()
: CDPL.Chem.FragmentGenerator
- removeGridName()
: CDPL.GRAIL.GRAILDataSetGenerator
- removeParameter()
: CDPL.Base.ControlParameterContainer
- removePattern()
: CDPL.Chem.PatternAtomTyper
, CDPL.Chem.SubstructureHistogramCalculator
- removeProperty()
: CDPL.Base.PropertyContainer
- removeReader()
: CDPL.Chem.CompoundMoleculeReader
, CDPL.Chem.CompoundReactionReader
, CDPL.Grid.CompoundDRegularGridReader
, CDPL.Grid.CompoundDRegularGridSetReader
, CDPL.Pharm.CompoundPharmacophoreReader
- removeRecord()
: CDPL.Biomol.PDBData
- removeResonanceDuplicates()
: CDPL.Chem.TautomerGenerator
- removeRule()
: CDPL.ConfGen.TorsionCategory
- removeScoringFunction()
: CDPL.GRAIL.GRAILDataSetGenerator
- removeTautomerizationRule()
: CDPL.Chem.TautomerGenerator
- removeVolumeConstraint()
: CDPL.Util.DG3DCoordinatesGenerator
- remResonanceDuplicates
: CDPL.Chem.TautomerGenerator
- render()
: CDPL.Vis.GraphicsPrimitive2D
, CDPL.Vis.View2D
- requiresAtomBondMapping()
: CDPL.Chem.AtomMatchExpression
, CDPL.Chem.BondMatchExpression
, CDPL.Chem.MolecularGraphMatchExpression
, CDPL.Chem.ReactionMatchExpression
- reserve()
: CDPL.Chem.AtomMatchExpressionList
, CDPL.Chem.BondMatchExpressionList
, CDPL.Chem.ElectronSystemList
, CDPL.Chem.FragmentList
, CDPL.Chem.MatchConstraintList
, CDPL.Chem.MolecularGraphMatchExpressionList
, CDPL.Chem.ReactionMatchExpressionList
, CDPL.Chem.StringDataBlock
, CDPL.ForceField.ElasticPotentialList
, CDPL.ForceField.MMFF94AngleBendingInteractionList
, CDPL.ForceField.MMFF94BondStretchingInteractionList
, CDPL.ForceField.MMFF94ElectrostaticInteractionList
, CDPL.ForceField.MMFF94OutOfPlaneBendingInteractionList
, CDPL.ForceField.MMFF94StretchBendInteractionList
, CDPL.ForceField.MMFF94TorsionInteractionList
, CDPL.ForceField.MMFF94VanDerWaalsInteractionList
, CDPL.Grid.DRegularGridSet
, CDPL.Grid.FRegularGridSet
, CDPL.Math.Vector2DArray
, CDPL.Math.Vector2FArray
, CDPL.Math.Vector2LArray
, CDPL.Math.Vector2ULArray
, CDPL.Math.Vector3DArray
, CDPL.Math.Vector3FArray
, CDPL.Math.Vector3LArray
, CDPL.Math.Vector3ULArray
, CDPL.Shape.GaussianShapeSet
, CDPL.Util.BitSetArray
, CDPL.Util.DArray
, CDPL.Util.LArray
, CDPL.Util.SArray
, CDPL.Util.STArray
, CDPL.Util.STPairArray
, CDPL.Util.UIArray
- reserveMemoryForAtoms()
: CDPL.Chem.Fragment
, CDPL.Chem.Molecule
- reserveMemoryForBonds()
: CDPL.Chem.Fragment
, CDPL.Chem.Molecule
- reset()
: CDPL.Chem.ConnectedSubstructureSet
, CDPL.Chem.SpatialAtomAlignment
, CDPL.Chem.SpatialEntity3DAlignment
, CDPL.Pharm.SpatialFeatureAlignment
, CDPL.Util.BitSet
, CDPL.Vis.Rectangle2D
- resize()
: CDPL.Chem.AtomMatchExpressionList
, CDPL.Chem.BondMatchExpressionList
, CDPL.Chem.ElectronSystemList
, CDPL.Chem.FragmentList
, CDPL.Chem.MatchConstraintList
, CDPL.Chem.MolecularGraphMatchExpressionList
, CDPL.Chem.ReactionMatchExpressionList
, CDPL.Chem.StringDataBlock
, CDPL.ForceField.ElasticPotentialList
, CDPL.ForceField.MMFF94AngleBendingInteractionList
, CDPL.ForceField.MMFF94BondStretchingInteractionList
, CDPL.ForceField.MMFF94ElectrostaticInteractionList
, CDPL.ForceField.MMFF94OutOfPlaneBendingInteractionList
, CDPL.ForceField.MMFF94StretchBendInteractionList
, CDPL.ForceField.MMFF94TorsionInteractionList
, CDPL.ForceField.MMFF94VanDerWaalsInteractionList
, CDPL.Grid.DRegularGridSet
, CDPL.Grid.FRegularGridSet
, CDPL.Math.DGrid
, CDPL.Math.DIdentityMatrix
, CDPL.Math.DMatrix
, CDPL.Math.DRegularSpatialGrid
, CDPL.Math.DScalarGrid
, CDPL.Math.DScalarMatrix
, CDPL.Math.DScalarVector
, CDPL.Math.DUnitVector
, CDPL.Math.DVector
, CDPL.Math.DZeroGrid
, CDPL.Math.DZeroMatrix
, CDPL.Math.DZeroVector
, CDPL.Math.FGrid
, CDPL.Math.FIdentityMatrix
, CDPL.Math.FMatrix
, CDPL.Math.FRegularSpatialGrid
, CDPL.Math.FScalarGrid
, CDPL.Math.FScalarMatrix
, CDPL.Math.FScalarVector
, CDPL.Math.FUnitVector
, CDPL.Math.FVector
, CDPL.Math.FZeroGrid
, CDPL.Math.FZeroMatrix
, CDPL.Math.FZeroVector
, CDPL.Math.LIdentityMatrix
, CDPL.Math.LMatrix
, CDPL.Math.LScalarMatrix
, CDPL.Math.LScalarVector
, CDPL.Math.LUnitVector
, CDPL.Math.LVector
, CDPL.Math.LZeroMatrix
, CDPL.Math.LZeroVector
, CDPL.Math.SparseDMatrix
, CDPL.Math.SparseDVector
, CDPL.Math.SparseFMatrix
, CDPL.Math.SparseFVector
, CDPL.Math.SparseLMatrix
, CDPL.Math.SparseLVector
, CDPL.Math.SparseULMatrix
, CDPL.Math.SparseULVector
, CDPL.Math.ULIdentityMatrix
, CDPL.Math.ULMatrix
, CDPL.Math.ULScalarMatrix
, CDPL.Math.ULScalarVector
, CDPL.Math.ULUnitVector
, CDPL.Math.ULVector
, CDPL.Math.ULZeroMatrix
, CDPL.Math.ULZeroVector
, CDPL.Math.Vector2DArray
, CDPL.Math.Vector2FArray
, CDPL.Math.Vector2LArray
, CDPL.Math.Vector2ULArray
, CDPL.Math.Vector3DArray
, CDPL.Math.Vector3FArray
, CDPL.Math.Vector3LArray
, CDPL.Math.Vector3ULArray
, CDPL.Shape.GaussianShapeSet
, CDPL.Util.BitSet
, CDPL.Util.BitSetArray
, CDPL.Util.DArray
, CDPL.Util.LArray
, CDPL.Util.SArray
, CDPL.Util.STArray
, CDPL.Util.STPairArray
, CDPL.Util.UIArray
- resizeDataSet()
: CDPL.Math.DMLRModel
, CDPL.Math.FMLRModel
- RESOLUTION
: CDPL.Biomol.PDBData.RecordType
- resonanceDuplicatesRemoved()
: CDPL.Chem.TautomerGenerator
- restoreState()
: CDPL.Vis.CairoBackend.CairoRenderer2D
, CDPL.Vis.QtBackend.QtRenderer2D
, CDPL.Vis.Renderer2D
- REVDAT
: CDPL.Biomol.PDBData.RecordType
- REVERSE_DOWN
: CDPL.Chem.BondStereoFlag
- REVERSE_EITHER
: CDPL.Chem.BondStereoFlag
- REVERSE_UP
: CDPL.Chem.BondStereoFlag
- Rf
: CDPL.Chem.AtomType
- Rh
: CDPL.Chem.AtomType
- RIGHT
: CDPL.Vis.Alignment
- RIGHT_DIAG_PATTERN
: CDPL.Vis.Brush.Style
- RING_BOND_COUNT
: CDPL.Chem.AtomMatchConstraint
- RING_TOPOLOGY
: CDPL.Chem.AtomMatchConstraint
, CDPL.Chem.BondMatchConstraint
- ringBondsIncluded()
: CDPL.Chem.StereoisomerGenerator
- Rn
: CDPL.Chem.AtomType
- ROT_BOND_COUNT
: CDPL.GRAIL.GRAILDescriptorCalculator.ElementIndex
, CDPL.GRAIL.GRAILXDescriptorCalculator.ElementIndex
- ROUND_CAP
: CDPL.Vis.Pen.CapStyle
- ROUND_JOIN
: CDPL.Vis.Pen.JoinStyle
- Ru
: CDPL.Chem.AtomType
- RXN
: CDPL.Chem.DataFormat