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Chemical Data Processing Library C++ API - Version 1.1.1
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Definition of constants in namespace CDPL::Chem::INCHIReturnCode.
Definition of the class CDPL::Chem::ElectronSystem.
Definition of the class CDPL::Chem::Molecule.
Definition of the class CDPL::Chem::SDFGZMolecularGraphWriter.
Definition of the class CDPL::Chem::SMILESGZReactionReader.
Definition of constants in namespace CDPL::Chem::BondStereoFlag.
Definition of the class CDPL::Chem::MolecularGraphWriter.
Definition of constants in namespace CDPL::Chem::AtomType.
Definition of the class CDPL::Chem::PiElectronSystemList.
Definition of the class CDPL::Chem::BondStereoFlagCalculator.
Definition of the class CDPL::Chem::SDFBZ2MoleculeReader.
Definition of constants in namespace CDPL::Chem::ReactionRole.
Definition of the class CDPL::Chem::StereoisomerGenerator.
Definition of the class CDPL::Chem::TautomerizationRule.
Definition of the class CDPL::Chem::ReactionReader.
Declaration of functions that operate on Chem::Fragment instances.
Definition of constants in namespace CDPL::Chem::ReactionPropertyDefault.
Declaration of functions that operate on Chem::Reaction instances.
Definition of the type CDPL::Chem::Entity3DMapping.
Definition of the class CDPL::Chem::TautomerScore.
Definition of the class CDPL::Chem::ChEMBLStandardizer.
Definition of the class CDPL::Chem::MorganNumberingCalculator.
Definition of constants in namespace CDPL::Chem::AtomMatchConstraint.
Definition of constants in namespace CDPL::Chem::BondConfiguration.
Definition of the class CDPL::Chem::MOLMolecularGraphOutputHandler.
Definition of constants in namespace CDPL::Chem::ReactionCenterStatus.
Definition of the class CDPL::Chem::CDFMolecularGraphOutputHandler.
Definition of the class CDPL::Chem::MoleculeReader.
Definition of the class CDPL::Chem::CDFGZReactionWriter.
Definition of the class CDPL::Chem::SMILESBZ2MoleculeReader.
Definition of the class CDPL::Chem::ResonanceStructureGenerator.
Declaration of convenience functions for control-parameter handling.
Definition of the class CDPL::Chem::BondOrderCalculator.
Definition of the class CDPL::Chem::RECAPFragmentGenerator.
Definition of the class CDPL::Chem::BasicReaction.
Type definition of a generic wrapper class for storing user-defined Chem::Atom compare functions.
Definition of constants in namespace CDPL::Chem::AtomConfiguration.
Definition of the class CDPL::Chem::BemisMurckoAnalyzer.
Declaration of functions that operate on Chem::MolecularGraph instances.
Definition of the class CDPL::Chem::NitroAciTautomerization.
Definition of the class CDPL::Chem::SulfenicAcidTautomerization.
Definition of the class CDPL::Chem::CIPPriorityCalculator.
Definition of the class CDPL::Chem::SMARTSReactionReader.
Definition of the class CDPL::Chem::SMARTSMoleculeReader.
Definition of the class CDPL::Chem::HashCodeCalculator.
Definition of the class CDPL::Chem::CDFGZMolecularGraphWriter.
Definition of the class CDPL::Chem::JMEReactionWriter.
Definition of the class CDPL::Chem::RXNReactionReader.
Definition of constants in namespace CDPL::Chem::BRICSRuleID.
Definition of the class CDPL::Chem::ImineEnamineTautomerization.
Definition of the class CDPL::Chem::MOL2MolecularGraphWriter.
Definition of the class CDPL::Chem::AtomDictionary.
Definition of the class CDPL::Chem::CDFReactionOutputHandler.
Definition of constants in namespace CDPL::Chem::SybylAtomType.
Definition of the class CDPL::Chem::Hydrogen3DCoordinatesCalculator.
Declaration of functions that operate on Chem::AtomContainer instances.
Definition of the class CDPL::Chem::SymmetryClassCalculator.
Definition of the class CDPL::Chem::MaxCommonAtomSubstructureSearch.
Definition of the class CDPL::Chem::ReactionSubstructureSearch.
Definition of the class CDPL::Chem::BondContainer.
Definition of constants in namespace CDPL::Chem::BRICSAtomLabel.
Definition of constants in namespace CDPL::Chem::MolecularGraphMatchConstraint.
Definition of the class CDPL::Chem::AtomSSSRRingSizeMatchExpression.
Definition of constants in namespace CDPL::Chem::MOL2ChargeType.
Definition of the class CDPL::Chem::SMARTSReactionOutputHandler.
Definition of the class CDPL::Chem::CDFMoleculeReader.
Definition of the class CDPL::Chem::RDFBZ2ReactionReader.
Definition of the class CDPL::Chem::XYZGZMolecularGraphOutputHandler.
Definition of the class CDPL::Chem::SubstructureHistogramCalculator.
Definition of constants in namespace CDPL::Chem::ReactionMatchConstraint.
Definition of constants in namespace CDPL::Chem::BondPropertyDefault.
Declaration of functions that operate on Chem::Atom instances.
Definition of constants in namespace CDPL::Chem::MDLParity.
Definition of the class CDPL::Chem::CDFGZMolecularGraphOutputHandler.
Type definition of a generic wrapper class for storing user-defined Chem::Bond compare functions.
Definition of constants in namespace CDPL::Chem::ControlParameterDefault.
Definition of the class CDPL::Chem::PatternBasedTautomerizationRule.
Definition of the class CDPL::Chem::ORMatchExpressionList.
Definition of the class CDPL::Chem::BondDirectionMatchExpression.
Definition of the class CDPL::Chem::SMILESMolecularGraphOutputHandler.
Definition of the class CDPL::Chem::XYZGZMolecularGraphWriter.
Definition of constants in namespace CDPL::Chem::Entity3DProperty.
Definition of constants in namespace CDPL::Chem::AtomPropertyDefault.
Definition of the class CDPL::Chem::CDFMolecularGraphWriter.
Definition of the class CDPL::Chem::JMEMoleculeReader.
Definition of the class CDPL::Chem::CDFGZReactionReader.
Definition of the class CDPL::Chem::CanonicalNumberingCalculator.
Definition of the class CDPL::Chem::SMILESBZ2MolecularGraphWriter.
Type definition of a generic wrapper class for storing user-defined Chem::Atom 3D-coordinates functio...
Definition of the class CDPL::Chem::ComponentGroupingMatchExpression.
Definition of the class CDPL::Chem::SMARTSReactionWriter.
Definition of the class CDPL::Chem::MOL2BZ2MoleculeReader.
Definition of the class CDPL::Chem::CDFReactionWriter.
Definition of constants in namespace CDPL::Chem::AtomPropertyFlag.
Definition of the class CDPL::Chem::Entity3D.
Definition of the class CDPL::Chem::RXNReactionWriter.
Definition of the class CDPL::Chem::PatternAtomTyper.
Definition of the class CDPL::Chem::CyclicSubstructure.
Definition of constants in namespace CDPL::Chem::RECAPAtomLabel.
Definition of the class CDPL::Chem::DefaultTautomerGenerator.
Type definition of a generic wrapper class for storing user-defined Chem::Bond predicates.
Definition of the class CDPL::Chem::TautomerGenerator.
Definition of the class CDPL::Chem::AtomContainer.
Definition of the class CDPL::Chem::MOL2MolecularGraphOutputHandler.
Definition of the class CDPL::Chem::SMILESGZReactionWriter.
Definition of constants in namespace CDPL::Chem::MolecularGraphProperty.
Definition of constants in namespace CDPL::Chem::RadicalType.
Definition of constants in namespace CDPL::Chem::BondMatchConstraint.
Definition of the class CDPL::Chem::MOL2MoleculeReader.
Definition of constants in namespace CDPL::Chem::RECAPRuleID.
Definition of the class CDPL::Chem::Entity3DContainer.
Definition of the class CDPL::Chem::CDFBZ2ReactionReader.
Definition of the class CDPL::Chem::XYZMolecularGraphWriter.
Declaration of functions that operate on Chem::Bond instances.
Definition of the class CDPL::Chem::AtomTypeMatchExpression.
Definition of constants in namespace CDPL::Chem::ControlParameter.
Definition of constants in namespace CDPL::Chem::ReactionProperty.
Definition of the class CDPL::Chem::BasicAtom.
Definition of the class CDPL::Chem::NOTMatchExpression.
Definition of the class CDPL::Chem::ConnectedSubstructureSet.
Definition of the class CDPL::Chem::SMILESMoleculeReader.
Definition of the class CDPL::Chem::AromaticSSSRSubset.
Definition of the class CDPL::Chem::SMILESBZ2ReactionOutputHandler.
Definition of the class CDPL::Chem::AromaticRingSet.
Definition of the class CDPL::Chem::ElectronSystemList.
Type definition of a generic wrapper class for storing user-defined Chem::Atom predicates.
Definition of constants in namespace CDPL::Chem::BondProperty.
Definition of the class CDPL::Chem::MolecularGraph.
Declaration of miscellaneous utility functions.
Declaration of functions that operate on Chem::Molecule instances.
Definition of the class CDPL::Chem::KeteneYnolTautomerization.
Type definition of a generic wrapper class for storing user-defined Chem::Atom 3D-coordinates functio...
Definition of the class CDPL::Chem::Atom.
Definition of the class CDPL::Chem::RDFBZ2ReactionOutputHandler.
Definition of the class CDPL::Chem::MOL2GZMoleculeReader.
Definition of the class CDPL::Chem::GenericHydrogen13ShiftTautomerization.
Definition of the class CDPL::Chem::AtomBondMapping.
Definition of the class CDPL::Chem::SMILESReactionReader.
Definition of the class CDPL::Chem::AutomorphismGroupSearch.
Definition of the class CDPL::Chem::JMEMolecularGraphOutputHandler.
Definition of the class CDPL::Chem::MOL2BZ2MolecularGraphWriter.
Definition of the class CDPL::Chem::MOL2BZ2MolecularGraphOutputHandler.
Definition of the class CDPL::Chem::Fragment.
Definition of the class CDPL::Chem::Reaction.
Definition of the class CDPL::Chem::AtomArray3DCoordinatesFunctor.
Definition of the class CDPL::Chem::XYZBZ2MolecularGraphWriter.
Definition of the class CDPL::Chem::Atom3DCoordinatesFunctor.
Definition of the type CDPL::Chem::BondMapping.
Definition of the class CDPL::Chem::XYZGZMoleculeReader.
Definition of constants in namespace CDPL::Chem::MolecularGraphPropertyDefault.
Definition of the class CDPL::Chem::MaxCommonBondSubstructureSearch.
Definition of constants in namespace CDPL::Chem::CIPDescriptor.
Definition of the class CDPL::Chem::SmallestSetOfSmallestRings.
Definition of the class CDPL::Chem::SMILESGZReactionOutputHandler.
Definition of the class CDPL::Chem::SMILESBZ2ReactionWriter.
Definition of the class CDPL::Chem::RDFReactionReader.
Definition of the class CDPL::Chem::RDFReactionOutputHandler.
Definition of the class CDPL::Chem::XYZMolecularGraphOutputHandler.
Definition of the class CDPL::Chem::GenericHydrogen15ShiftTautomerization.
Definition of the class CDPL::Chem::MOLMoleculeReader.
Definition of the class CDPL::Chem::MatchExpression.
Definition of the class CDPL::Chem::MOL2GZMolecularGraphOutputHandler.
Definition of the class CDPL::Chem::JMEReactionReader.
Definition of the class CDPL::Chem::SDFGZMoleculeReader.
Definition of the class CDPL::Chem::SDFMolecularGraphOutputHandler.
Definition of the class CDPL::Chem::MatchExpressionList.
Definition of the class CDPL::Chem::SMILESBZ2MolecularGraphOutputHandler.
Declaration of functions that operate on Chem::Entity3DContainer instances.
Definition of the class CDPL::Chem::INCHIMolecularGraphWriter.
Definition of the class CDPL::Chem::RDFGZReactionWriter.
Definition of constants in namespace CDPL::Chem::BondDirection.
Definition of the class CDPL::Chem::Reactor.
Definition of constants in namespace CDPL::Chem::HybridizationState.
Definition of the class CDPL::Chem::RDFGZReactionOutputHandler.
Definition of the class CDPL::Chem::CDFGZReactionOutputHandler.
Definition of the class CDPL::Chem::JMEReactionOutputHandler.
Definition of the class CDPL::Chem::SMARTSMolecularGraphWriter.
Definition of the class CDPL::Chem::XYZBZ2MolecularGraphOutputHandler.
Definition of the class CDPL::Chem::MOLMolecularGraphWriter.
Definition of the class CDPL::Chem::SMILESGZMolecularGraphOutputHandler.
Definition of the class CDPL::Chem::RDFBZ2ReactionWriter.
Definition of the class CDPL::Chem::AtomEnvironmentMatchExpression.
Definition of the type CDPL::Chem::StereoDescriptor.
Definition of the class CDPL::Chem::CIPConfigurationLabeler.
Definition of the class CDPL::Chem::RDFReactionWriter.
Definition of the class CDPL::Chem::CDFBZ2MolecularGraphOutputHandler.
Definition of the class CDPL::Chem::AmideImidicAcidTautomerization.
Definition of the class CDPL::Chem::RXNReactionOutputHandler.
Definition of the class CDPL::Chem::BRICSFragmentGenerator.
Definition of the class CDPL::Chem::INCHIMolecularGraphOutputHandler.
Definition of the class CDPL::Chem::SDFBZ2MolecularGraphOutputHandler.
Definition of the class CDPL::Chem::SMILESReactionWriter.
Definition of the class CDPL::Chem::SubstructureSearch.
Definition of the class CDPL::Chem::CompleteRingSet.
Definition of the type CDPL::Chem::AtomMapping.
Definition of the class CDPL::Chem::AromaticSubstructure.
Definition of constants in namespace CDPL::Chem::AtomProperty.
Definition of constants in namespace CDPL::Chem::MOL2MoleculeType.
Definition of the class CDPL::Chem::SMARTSMolecularGraphOutputHandler.
Definition of the class CDPL::Chem::ReactionAtomMappingMatchExpression.
Definition of the class CDPL::Chem::PropertyMatchExpression.
Definition of the class CDPL::Chem::JMEMolecularGraphWriter.
Definition of the class CDPL::Chem::SMILESBZ2ReactionReader.
Definition of the class CDPL::Chem::CommonConnectedSubstructureSearch.
Definition of constants in namespace CDPL::Chem::BondPropertyFlag.
Definition of the class CDPL::Chem::SMILESGZMolecularGraphWriter.
Definition of the class CDPL::Chem::ComponentSet.
Definition of the class CDPL::Chem::CDFReactionReader.
Definition of the class CDPL::Chem::ProtonationStateStandardizer.
Definition of the class CDPL::Chem::XYZBZ2MoleculeReader.
Definition of the class CDPL::Chem::XYZMoleculeReader.
Definition of the class CDPL::Chem::SMILESGZMoleculeReader.
Definition of the class CDPL::Chem::SDFBZ2MolecularGraphWriter.
Definition of the class CDPL::Chem::SDFGZMolecularGraphOutputHandler.
Definition of the class CDPL::Chem::BondSubstituentDirectionMatchExpression.
Definition of the class CDPL::Chem::PhosphinicAcidTautomerization.
Definition of the class CDPL::Chem::MatchConstraintList.
Definition of the class CDPL::Chem::FragmentList.
Definition of the class CDPL::Chem::CDFBZ2MoleculeReader.
Definition of the class CDPL::Chem::ReactionComponentGroupingMatchExpression.
Definition of the class CDPL::Chem::KekuleStructureCalculator.
Definition of the class CDPL::Chem::SDFMoleculeReader.
Definition of the class CDPL::Chem::SMILESMolecularGraphWriter.
Definition of the class CDPL::Chem::KetoEnolTautomerization.
Definition of the class CDPL::Chem::CDFGZMoleculeReader.
Definition of the class CDPL::Chem::LactamLactimTautomerization.
Definition of the class CDPL::Chem::Atom2DCoordinatesCalculator.
Definition of the class CDPL::Chem::ReactionWriter.
Definition of the class CDPL::Chem::Bond.
Definition of the class CDPL::Chem::CDFBZ2ReactionOutputHandler.
Definition of the class CDPL::Chem::SMILESReactionOutputHandler.
Definition of the class CDPL::Chem::ANDMatchExpressionList.
Definition of the class CDPL::Chem::CDFBZ2MolecularGraphWriter.
Definition of the class CDPL::Chem::StringDataBlockItem and the type CDPL::Chem::StringDataBlock.
Definition of the class CDPL::Chem::TopologicalEntityAlignment.
Definition of the class CDPL::Chem::RDFGZReactionReader.
Definition of the class CDPL::Chem::BasicBond.
Definition of the class CDPL::Chem::INCHIMoleculeReader.
Definition of the class CDPL::Chem::FragmentGenerator.
Definition of the class CDPL::Chem::BondConfigurationMatchExpression.
Definition of the class CDPL::Chem::SDFMolecularGraphWriter.
Definition of the class CDPL::Chem::CDFBZ2ReactionWriter.
Definition of the class CDPL::Chem::BasicMolecule.
Definition of the class CDPL::Chem::AtomConfigurationMatchExpression.
Definition of the class CDPL::Chem::SpatialEntityAlignment.
Definition of the class CDPL::Chem::BondReactionCenterStatusMatchExpression.
Definition of the class CDPL::Chem::MOL2GZMolecularGraphWriter.
Definition of constants in namespace CDPL::Chem::TautomerizationType.
1.8.20