Chemical Data Processing Library C++ API - Version 1.1.1
- r -
Range() :
CDPL::Math::Range< S >
RangeError() :
CDPL::Base::RangeError
RDFCodeCalculator() :
CDPL::Descr::RDFCodeCalculator< T >
RDFReactionReader() :
CDPL::Chem::RDFReactionReader
RDFReactionWriter() :
CDPL::Chem::RDFReactionWriter
ReactionAtomMappingMatchExpression() :
CDPL::Chem::ReactionAtomMappingMatchExpression
ReactionComponentGroupingMatchExpression() :
CDPL::Chem::ReactionComponentGroupingMatchExpression
ReactionSubstructureSearch() :
CDPL::Chem::ReactionSubstructureSearch
ReactionView2D() :
CDPL::Vis::ReactionView2D
Reactor() :
CDPL::Chem::Reactor
read() :
CDPL::Base::DataReader< T >
,
CDPL::Pharm::PSDMoleculeReader
,
CDPL::Pharm::PSDPharmacophoreReader
,
CDPL::Util::CompoundDataReader< DataType >
,
CDPL::Util::CompressedDataReader< ReaderImpl, DecompStream, DataType >
,
CDPL::Util::FileDataReader< ReaderImpl, DataType >
,
CDPL::Util::MultiFormatDataReader< DataType >
,
CDPL::Util::StreamDataReader< DataType, ReaderImpl >
real() :
CDPL::Math::ComplexTraits< T >
,
CDPL::Math::ScalarTraits< T >
RealQuaternion() :
CDPL::Math::RealQuaternion< T >
RECAPFragmentGenerator() :
CDPL::Chem::RECAPFragmentGenerator
Rectangle2D() :
CDPL::Vis::Rectangle2D
reference() :
CDPL::Vis::CairoPointerTraits< cairo_pattern_t >
,
CDPL::Vis::CairoPointerTraits< cairo_surface_t >
,
CDPL::Vis::CairoPointerTraits< cairo_t >
ReferenceColorTverskyScore() :
CDPL::Shape::ReferenceColorTverskyScore
ReferenceShapeTverskyScore() :
CDPL::Shape::ReferenceShapeTverskyScore
ReferenceTotalOverlapTverskyScore() :
CDPL::Shape::ReferenceTotalOverlapTverskyScore
ReferenceTverskyComboScore() :
CDPL::Shape::ReferenceTverskyComboScore
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::Base::DataIOManager< T >
registerIOCallback() :
CDPL::Base::DataIOBase
registerOutputHandler() :
CDPL::Base::DataIOManager< T >
registerParameterChangedCallback() :
CDPL::Base::ControlParameterContainer
registerParameterRemovedCallback() :
CDPL::Base::ControlParameterContainer
registerParentChangedCallback() :
CDPL::Base::ControlParameterContainer
RegularGrid() :
CDPL::Grid::RegularGrid< T, CVT >
RegularSpatialGrid() :
CDPL::Math::RegularSpatialGrid< T, C, GD, XF >
release() :
CDPL::Util::FileRemover
,
CDPL::Vis::CairoPointer< T >
remove() :
CDPL::Chem::BasicMolecule
,
CDPL::Chem::Molecule
,
CDPL::Pharm::BasicPharmacophore
,
CDPL::Pharm::Pharmacophore
removeAngle() :
CDPL::ConfGen::TorsionRule
removeAtom() :
CDPL::Chem::BasicMolecule
,
CDPL::Chem::ElectronSystem
,
CDPL::Chem::Fragment
,
CDPL::Chem::Molecule
removeBond() :
CDPL::Chem::BasicMolecule
,
CDPL::Chem::Fragment
,
CDPL::Chem::Molecule
removeCategory() :
CDPL::ConfGen::TorsionCategory
removeComponent() :
CDPL::Chem::BasicReaction
,
CDPL::Chem::Reaction
removeComponents() :
CDPL::Chem::BasicReaction
,
CDPL::Chem::Reaction
removeConstraintFunction() :
CDPL::Pharm::InteractionAnalyzer
removeDistanceConstraint() :
CDPL::Util::DGCoordinatesGeneratorBase< Dim, T, Derived >
removeElement() :
CDPL::Shape::GaussianShape
,
CDPL::Util::Array< ValueType >
,
CDPL::Util::IndirectArray< ValueType, PointerType, NullPointerCheck >
removeElements() :
CDPL::Util::Array< ValueType >
,
CDPL::Util::IndirectArray< ValueType, PointerType, NullPointerCheck >
removeEntries() :
CDPL::Util::Map< Key, Value, AllowDefValues, KeyCompFunc >
,
CDPL::Util::MultiMap< Key, Value, AllowDefValues, KeyCompFunc >
removeEntry() :
CDPL::Biomol::ResidueDictionary
,
CDPL::Chem::AtomDictionary
,
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::Util::Map< Key, Value, AllowDefValues, KeyCompFunc >
,
CDPL::Util::MultiMap< Key, Value, AllowDefValues, KeyCompFunc >
removeExcludePattern() :
CDPL::Chem::FragmentGenerator
removeFeature() :
CDPL::Pharm::BasicPharmacophore
,
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::Util::CompoundDataReader< DataType >
removeRecord() :
CDPL::Biomol::PDBData
removeResonanceDuplicates() :
CDPL::Chem::TautomerGenerator
removeRule() :
CDPL::ConfGen::TorsionCategory
removeScoringFunction() :
CDPL::GRAIL::GRAILDataSetGenerator
removeTautomerizationRule() :
CDPL::Chem::TautomerGenerator
removeVolumeConstraint() :
CDPL::Util::DGCoordinatesGenerator< 3, T >
render() :
CDPL::Vis::ClipPathPrimitive2D
,
CDPL::Vis::EllipsePrimitive2D
,
CDPL::Vis::GraphicsPrimitive2D
,
CDPL::Vis::LinePrimitive2D
,
CDPL::Vis::LineSegmentListPrimitive2D
,
CDPL::Vis::PathPrimitive2D
,
CDPL::Vis::PointListPrimitive2D
,
CDPL::Vis::PolygonPrimitive2D
,
CDPL::Vis::PolylinePrimitive2D
,
CDPL::Vis::ReactionView2D
,
CDPL::Vis::StructureView2D
,
CDPL::Vis::TextLabelPrimitive2D
,
CDPL::Vis::View2D
renderMolGraphImage() :
CDPL::Vis::ImageWriter
renderReactionImage() :
CDPL::Vis::ImageWriter
requiresAtomBondMapping() :
CDPL::Chem::AtomConfigurationMatchExpression
,
CDPL::Chem::BondConfigurationMatchExpression
,
CDPL::Chem::BondSubstituentDirectionMatchExpression
,
CDPL::Chem::MatchExpression< ObjType1, ObjType2 >
,
CDPL::Chem::MatchExpression< ObjType, void >
,
CDPL::Chem::MatchExpressionList< ObjType1, ObjType2 >
,
CDPL::Chem::MolecularGraphComponentGroupingMatchExpression
,
CDPL::Chem::NOTMatchExpression< ObjType1, ObjType2 >
,
CDPL::Chem::NOTMatchExpression< ObjType, void >
,
CDPL::Chem::ReactionAtomMappingMatchExpression
,
CDPL::Chem::ReactionComponentGroupingMatchExpression
reserve() :
CDPL::Util::Array< ValueType >
reserveMemoryForAtoms() :
CDPL::Chem::BasicMolecule
,
CDPL::Chem::Fragment
,
CDPL::Chem::Molecule
reserveMemoryForBonds() :
CDPL::Chem::BasicMolecule
,
CDPL::Chem::Fragment
,
CDPL::Chem::Molecule
reset() :
CDPL::Chem::ConnectedSubstructureSet
,
CDPL::Chem::SpatialEntityAlignment< T >
,
CDPL::Chem::TopologicalEntityAlignment< T >
,
CDPL::Shape::GaussianShapeFunction
,
CDPL::Util::FileRemover
,
CDPL::Vis::CairoPointer< T >
,
CDPL::Vis::Rectangle2D
resetFixedAtomMask() :
CDPL::ForceField::MMFF94GradientCalculator< ValueType >
ResidueList() :
CDPL::Biomol::ResidueList
resize() :
CDPL::Math::BoundedMatrix< T, M, N >
,
CDPL::Math::BoundedVector< T, N >
,
CDPL::Math::Grid< T, A >
,
CDPL::Math::IdentityMatrix< T >
,
CDPL::Math::Matrix< T, A >
,
CDPL::Math::RegularSpatialGrid< T, C, GD, XF >
,
CDPL::Math::RotationMatrix< T >
,
CDPL::Math::ScalarGrid< T >
,
CDPL::Math::ScalarMatrix< T >
,
CDPL::Math::ScalarVector< T >
,
CDPL::Math::ScalingMatrix< T >
,
CDPL::Math::SparseMatrix< T, A >
,
CDPL::Math::SparseVector< T, A >
,
CDPL::Math::TranslationMatrix< T >
,
CDPL::Math::UnitVector< T >
,
CDPL::Math::Vector< T, A >
,
CDPL::Math::ZeroGrid< T >
,
CDPL::Math::ZeroMatrix< T >
,
CDPL::Math::ZeroVector< T >
,
CDPL::Util::Array< ValueType >
resizeDataSet() :
CDPL::Math::MLRModel< T >
resonanceDuplicatesRemoved() :
CDPL::Chem::TautomerGenerator
ResonanceStructureGenerator() :
CDPL::Chem::ResonanceStructureGenerator
restoreState() :
CDPL::Vis::CairoRenderer2D
,
CDPL::Vis::QtRenderer2D
,
CDPL::Vis::Renderer2D
Result() :
CDPL::Shape::GaussianShapeFunctionAlignment::Result
ringBondsIncluded() :
CDPL::Chem::StereoisomerGenerator
RMSDConformerSelector() :
CDPL::ConfGen::RMSDConformerSelector
RotationMatrix() :
CDPL::Math::RotationMatrix< T >
RXNReactionReader() :
CDPL::Chem::RXNReactionReader
RXNReactionWriter() :
CDPL::Chem::RXNReactionWriter
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