Chemical Data Processing Library C++ API - Version 1.1.1
CDPL
Chem
Chem Directory Reference
Directory dependency graph for Chem:
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Files
file
AmideImidicAcidTautomerization.hpp
[code]
Definition of the class
CDPL::Chem::AmideImidicAcidTautomerization
.
file
ANDMatchExpressionList.hpp
[code]
Definition of the class
CDPL::Chem::ANDMatchExpressionList
.
file
Chem/APIPrefix.hpp
[code]
Definition of the preprocessor macro
CDPL_CHEM_API
.
file
AromaticRingSet.hpp
[code]
Definition of the class
CDPL::Chem::AromaticRingSet
.
file
AromaticSSSRSubset.hpp
[code]
Definition of the class
CDPL::Chem::AromaticSSSRSubset
.
file
AromaticSubstructure.hpp
[code]
Definition of the class
CDPL::Chem::AromaticSubstructure
.
file
Atom.hpp
[code]
Definition of the class
CDPL::Chem::Atom
.
file
Atom2DCoordinatesCalculator.hpp
[code]
Definition of the class
CDPL::Chem::Atom2DCoordinatesCalculator
.
file
Atom3DCoordinatesFunction.hpp
[code]
Type definition of a generic wrapper class for storing user-defined Chem::Atom 3D-coordinates functions.
file
Atom3DCoordinatesFunctor.hpp
[code]
Definition of the class
CDPL::Chem::Atom3DCoordinatesFunctor
.
file
AtomArray3DCoordinatesFunctor.hpp
[code]
Definition of the class
CDPL::Chem::AtomArray3DCoordinatesFunctor
.
file
AtomBondMapping.hpp
[code]
Definition of the class
CDPL::Chem::AtomBondMapping
.
file
AtomCompareFunction.hpp
[code]
Type definition of a generic wrapper class for storing user-defined Chem::Atom compare functions.
file
AtomConfiguration.hpp
[code]
Definition of constants in namespace
CDPL::Chem::AtomConfiguration
.
file
AtomConfigurationMatchExpression.hpp
[code]
Definition of the class
CDPL::Chem::AtomConfigurationMatchExpression
.
file
AtomConformer3DCoordinatesFunctor.hpp
[code]
Definition of the class
CDPL::Chem::AtomConformer3DCoordinatesFunctor
.
file
AtomContainer.hpp
[code]
Definition of the class
CDPL::Chem::AtomContainer
.
file
Chem/AtomContainerFunctions.hpp
[code]
Declaration of functions that operate on Chem::AtomContainer instances.
file
AtomDictionary.hpp
[code]
Definition of the class
CDPL::Chem::AtomDictionary
.
file
AtomEnvironmentMatchExpression.hpp
[code]
Definition of the class
CDPL::Chem::AtomEnvironmentMatchExpression
.
file
Chem/AtomFunctions.hpp
[code]
Declaration of functions that operate on Chem::Atom instances.
file
AtomMapping.hpp
[code]
Definition of the type
CDPL::Chem::AtomMapping
.
file
AtomMatchConstraint.hpp
[code]
Definition of constants in namespace
CDPL::Chem::AtomMatchConstraint
.
file
AtomPredicate.hpp
[code]
Type definition of a generic wrapper class for storing user-defined Chem::Atom predicates.
file
AtomPriorityFunction.hpp
[code]
Type definition of a generic wrapper class for storing user-defined Chem::Atom 3D-coordinates functions.
file
Chem/AtomProperty.hpp
[code]
Definition of constants in namespace
CDPL::Chem::AtomProperty
.
file
Chem/AtomPropertyDefault.hpp
[code]
Definition of constants in namespace
CDPL::Chem::AtomPropertyDefault
.
file
Chem/AtomPropertyFlag.hpp
[code]
Definition of constants in namespace
CDPL::Chem::AtomPropertyFlag
.
file
AtomSSSRRingSizeMatchExpression.hpp
[code]
Definition of the class
CDPL::Chem::AtomSSSRRingSizeMatchExpression
.
file
AtomType.hpp
[code]
Definition of constants in namespace
CDPL::Chem::AtomType
.
file
AtomTypeMatchExpression.hpp
[code]
Definition of the class
CDPL::Chem::AtomTypeMatchExpression
.
file
AutomorphismGroupSearch.hpp
[code]
Definition of the class
CDPL::Chem::AutomorphismGroupSearch
.
file
BasicAtom.hpp
[code]
Definition of the class
CDPL::Chem::BasicAtom
.
file
BasicBond.hpp
[code]
Definition of the class
CDPL::Chem::BasicBond
.
file
BasicMolecule.hpp
[code]
Definition of the class
CDPL::Chem::BasicMolecule
.
file
BasicReaction.hpp
[code]
Definition of the class
CDPL::Chem::BasicReaction
.
file
BemisMurckoAnalyzer.hpp
[code]
Definition of the class
CDPL::Chem::BemisMurckoAnalyzer
.
file
Bond.hpp
[code]
Definition of the class
CDPL::Chem::Bond
.
file
BondCompareFunction.hpp
[code]
Type definition of a generic wrapper class for storing user-defined Chem::Bond compare functions.
file
BondConfiguration.hpp
[code]
Definition of constants in namespace
CDPL::Chem::BondConfiguration
.
file
BondConfigurationMatchExpression.hpp
[code]
Definition of the class
CDPL::Chem::BondConfigurationMatchExpression
.
file
BondContainer.hpp
[code]
Definition of the class
CDPL::Chem::BondContainer
.
file
BondDirection.hpp
[code]
Definition of constants in namespace
CDPL::Chem::BondDirection
.
file
BondDirectionMatchExpression.hpp
[code]
Definition of the class
CDPL::Chem::BondDirectionMatchExpression
.
file
Chem/BondFunctions.hpp
[code]
Declaration of functions that operate on Chem::Bond instances.
file
BondMapping.hpp
[code]
Definition of the type
CDPL::Chem::BondMapping
.
file
BondMatchConstraint.hpp
[code]
Definition of constants in namespace
CDPL::Chem::BondMatchConstraint
.
file
BondOrderCalculator.hpp
[code]
Definition of the class
CDPL::Chem::BondOrderCalculator
.
file
BondPredicate.hpp
[code]
Type definition of a generic wrapper class for storing user-defined Chem::Bond predicates.
file
Chem/BondProperty.hpp
[code]
Definition of constants in namespace
CDPL::Chem::BondProperty
.
file
Chem/BondPropertyDefault.hpp
[code]
Definition of constants in namespace
CDPL::Chem::BondPropertyDefault
.
file
BondPropertyFlag.hpp
[code]
Definition of constants in namespace
CDPL::Chem::BondPropertyFlag
.
file
BondReactionCenterStatusMatchExpression.hpp
[code]
Definition of the class
CDPL::Chem::BondReactionCenterStatusMatchExpression
.
file
BondStereoFlag.hpp
[code]
Definition of constants in namespace
CDPL::Chem::BondStereoFlag
.
file
BondStereoFlagCalculator.hpp
[code]
Definition of the class
CDPL::Chem::BondStereoFlagCalculator
.
file
BondSubstituentDirectionMatchExpression.hpp
[code]
Definition of the class
CDPL::Chem::BondSubstituentDirectionMatchExpression
.
file
BRICSAtomLabel.hpp
[code]
Definition of constants in namespace
CDPL::Chem::BRICSAtomLabel
.
file
BRICSFragmentGenerator.hpp
[code]
Definition of the class
CDPL::Chem::BRICSFragmentGenerator
.
file
BRICSRuleID.hpp
[code]
Definition of constants in namespace
CDPL::Chem::BRICSRuleID
.
file
CanonicalNumberingCalculator.hpp
[code]
Definition of the class
CDPL::Chem::CanonicalNumberingCalculator
.
file
CDFBZ2MolecularGraphOutputHandler.hpp
[code]
Definition of the class
CDPL::Chem::CDFBZ2MolecularGraphOutputHandler
.
file
CDFBZ2MolecularGraphWriter.hpp
[code]
Definition of the class
CDPL::Chem::CDFBZ2MolecularGraphWriter
.
file
CDFBZ2MoleculeInputHandler.hpp
[code]
Definition of the class
CDPL::Chem::CDFBZ2MoleculeInputHandler
.
file
CDFBZ2MoleculeReader.hpp
[code]
Definition of the class
CDPL::Chem::CDFBZ2MoleculeReader
.
file
CDFBZ2ReactionInputHandler.hpp
[code]
Definition of the class
CDPL::Chem::CDFBZ2ReactionInputHandler
.
file
CDFBZ2ReactionOutputHandler.hpp
[code]
Definition of the class
CDPL::Chem::CDFBZ2ReactionOutputHandler
.
file
CDFBZ2ReactionReader.hpp
[code]
Definition of the class
CDPL::Chem::CDFBZ2ReactionReader
.
file
CDFBZ2ReactionWriter.hpp
[code]
Definition of the class
CDPL::Chem::CDFBZ2ReactionWriter
.
file
CDFGZMolecularGraphOutputHandler.hpp
[code]
Definition of the class
CDPL::Chem::CDFGZMolecularGraphOutputHandler
.
file
CDFGZMolecularGraphWriter.hpp
[code]
Definition of the class
CDPL::Chem::CDFGZMolecularGraphWriter
.
file
CDFGZMoleculeInputHandler.hpp
[code]
Definition of the class
CDPL::Chem::CDFGZMoleculeInputHandler
.
file
CDFGZMoleculeReader.hpp
[code]
Definition of the class
CDPL::Chem::CDFGZMoleculeReader
.
file
CDFGZReactionInputHandler.hpp
[code]
Definition of the class
CDPL::Chem::CDFGZReactionInputHandler
.
file
CDFGZReactionOutputHandler.hpp
[code]
Definition of the class
CDPL::Chem::CDFGZReactionOutputHandler
.
file
CDFGZReactionReader.hpp
[code]
Definition of the class
CDPL::Chem::CDFGZReactionReader
.
file
CDFGZReactionWriter.hpp
[code]
Definition of the class
CDPL::Chem::CDFGZReactionWriter
.
file
CDFMolecularGraphOutputHandler.hpp
[code]
Definition of the class
CDPL::Chem::CDFMolecularGraphOutputHandler
.
file
CDFMolecularGraphWriter.hpp
[code]
Definition of the class
CDPL::Chem::CDFMolecularGraphWriter
.
file
CDFMoleculeInputHandler.hpp
[code]
Definition of the class
CDPL::Chem::CDFMoleculeInputHandler
.
file
CDFMoleculeReader.hpp
[code]
Definition of the class
CDPL::Chem::CDFMoleculeReader
.
file
CDFReactionInputHandler.hpp
[code]
Definition of the class
CDPL::Chem::CDFReactionInputHandler
.
file
CDFReactionOutputHandler.hpp
[code]
Definition of the class
CDPL::Chem::CDFReactionOutputHandler
.
file
CDFReactionReader.hpp
[code]
Definition of the class
CDPL::Chem::CDFReactionReader
.
file
CDFReactionWriter.hpp
[code]
Definition of the class
CDPL::Chem::CDFReactionWriter
.
file
ChEMBLStandardizer.hpp
[code]
Definition of the class
CDPL::Chem::ChEMBLStandardizer
.
file
CIPConfigurationLabeler.hpp
[code]
Definition of the class
CDPL::Chem::CIPConfigurationLabeler
.
file
CIPDescriptor.hpp
[code]
Definition of constants in namespace
CDPL::Chem::CIPDescriptor
.
file
CIPPriorityCalculator.hpp
[code]
Definition of the class
CDPL::Chem::CIPPriorityCalculator
.
file
CommonConnectedSubstructureSearch.hpp
[code]
Definition of the class
CDPL::Chem::CommonConnectedSubstructureSearch
.
file
CompleteRingSet.hpp
[code]
Definition of the class
CDPL::Chem::CompleteRingSet
.
file
ComponentSet.hpp
[code]
Definition of the class
CDPL::Chem::ComponentSet
.
file
ConnectedSubstructureSet.hpp
[code]
Definition of the class
CDPL::Chem::ConnectedSubstructureSet
.
file
Chem/ControlParameter.hpp
[code]
Definition of constants in namespace
CDPL::Chem::ControlParameter
.
file
Chem/ControlParameterDefault.hpp
[code]
Definition of constants in namespace
CDPL::Chem::ControlParameterDefault
.
file
Chem/ControlParameterFunctions.hpp
[code]
Declaration of convenience functions for control-parameter handling.
file
CyclicSubstructure.hpp
[code]
Definition of the class
CDPL::Chem::CyclicSubstructure
.
file
Chem/DataFormat.hpp
[code]
Provides the contents of namespace
CDPL::Chem::DataFormat
.
file
DefaultMultiConfMoleculeInputProcessor.hpp
[code]
Definition of the class
CDPL::Chem::DefaultMultiConfMoleculeInputProcessor
.
file
DefaultTautomerGenerator.hpp
[code]
Definition of the class
CDPL::Chem::DefaultTautomerGenerator
.
file
ElectronSystem.hpp
[code]
Definition of the class
CDPL::Chem::ElectronSystem
.
file
ElectronSystemList.hpp
[code]
Definition of the class
CDPL::Chem::ElectronSystemList
.
file
Entity3D.hpp
[code]
Definition of the class
CDPL::Chem::Entity3D
.
file
Entity3DContainer.hpp
[code]
Definition of the class
CDPL::Chem::Entity3DContainer
.
file
Chem/Entity3DContainerFunctions.hpp
[code]
Declaration of functions that operate on Chem::Entity3DContainer instances.
file
Entity3DCoordinatesFunction.hpp
[code]
Type definition of a generic wrapper class for storing user-defined Chem::Entity3D coordinates functions.
file
Entity3DCoordinatesFunctor.hpp
[code]
Definition of the class
CDPL::Chem::Entity3DCoordinatesFunctor
.
file
Entity3DFunctions.hpp
[code]
Declaration of functions that operate on Chem::Entity3D instances.
file
Entity3DMapping.hpp
[code]
Definition of the type
CDPL::Chem::Entity3DMapping
.
file
Entity3DProperty.hpp
[code]
Definition of constants in namespace
CDPL::Chem::Entity3DProperty
.
file
Fragment.hpp
[code]
Definition of the class
CDPL::Chem::Fragment
.
file
FragmentFunctions.hpp
[code]
Declaration of functions that operate on Chem::Fragment instances.
file
FragmentGenerator.hpp
[code]
Definition of the class
CDPL::Chem::FragmentGenerator
.
file
FragmentList.hpp
[code]
Definition of the class
CDPL::Chem::FragmentList
.
file
GenericHydrogen13ShiftTautomerization.hpp
[code]
Definition of the class
CDPL::Chem::GenericHydrogen13ShiftTautomerization
.
file
GenericHydrogen15ShiftTautomerization.hpp
[code]
Definition of the class
CDPL::Chem::GenericHydrogen15ShiftTautomerization
.
file
HashCodeCalculator.hpp
[code]
Definition of the class
CDPL::Chem::HashCodeCalculator
.
file
HybridizationState.hpp
[code]
Definition of constants in namespace
CDPL::Chem::HybridizationState
.
file
Hydrogen3DCoordinatesCalculator.hpp
[code]
Definition of the class
CDPL::Chem::Hydrogen3DCoordinatesCalculator
.
file
ImineEnamineTautomerization.hpp
[code]
Definition of the class
CDPL::Chem::ImineEnamineTautomerization
.
file
INCHIMolecularGraphOutputHandler.hpp
[code]
Definition of the class
CDPL::Chem::INCHIMolecularGraphOutputHandler
.
file
INCHIMolecularGraphWriter.hpp
[code]
Definition of the class
CDPL::Chem::INCHIMolecularGraphWriter
.
file
INCHIMoleculeInputHandler.hpp
[code]
Definition of the class
CDPL::Chem::INCHIMoleculeInputHandler
.
file
INCHIMoleculeReader.hpp
[code]
Definition of the class
CDPL::Chem::INCHIMoleculeReader
.
file
INCHIReturnCode.hpp
[code]
Definition of constants in namespace
CDPL::Chem::INCHIReturnCode
.
file
JMEMolecularGraphOutputHandler.hpp
[code]
Definition of the class
CDPL::Chem::JMEMolecularGraphOutputHandler
.
file
JMEMolecularGraphWriter.hpp
[code]
Definition of the class
CDPL::Chem::JMEMolecularGraphWriter
.
file
JMEMoleculeInputHandler.hpp
[code]
Definition of the class
CDPL::Chem::JMEMoleculeInputHandler
.
file
JMEMoleculeReader.hpp
[code]
Definition of the class
CDPL::Chem::JMEMoleculeReader
.
file
JMEReactionInputHandler.hpp
[code]
Definition of the class
CDPL::Chem::JMEReactionInputHandler
.
file
JMEReactionOutputHandler.hpp
[code]
Definition of the class
CDPL::Chem::JMEReactionOutputHandler
.
file
JMEReactionReader.hpp
[code]
Definition of the class
CDPL::Chem::JMEReactionReader
.
file
JMEReactionWriter.hpp
[code]
Definition of the class
CDPL::Chem::JMEReactionWriter
.
file
KekuleStructureCalculator.hpp
[code]
Definition of the class
CDPL::Chem::KekuleStructureCalculator
.
file
KeteneYnolTautomerization.hpp
[code]
Definition of the class
CDPL::Chem::KeteneYnolTautomerization
.
file
KetoEnolTautomerization.hpp
[code]
Definition of the class
CDPL::Chem::KetoEnolTautomerization
.
file
LactamLactimTautomerization.hpp
[code]
Definition of the class
CDPL::Chem::LactamLactimTautomerization
.
file
MatchConstraintList.hpp
[code]
Definition of the class
CDPL::Chem::MatchConstraintList
.
file
MatchExpression.hpp
[code]
Definition of the class
CDPL::Chem::MatchExpression
.
file
MatchExpressionList.hpp
[code]
Definition of the class
CDPL::Chem::MatchExpressionList
.
file
MaxCommonAtomSubstructureSearch.hpp
[code]
Definition of the class
CDPL::Chem::MaxCommonAtomSubstructureSearch
.
file
MaxCommonBondSubstructureSearch.hpp
[code]
Definition of the class
CDPL::Chem::MaxCommonBondSubstructureSearch
.
file
MDLDataFormatVersion.hpp
[code]
Definition of constants in namespace
CDPL::Chem::MDLDataFormatVersion
.
file
MDLParity.hpp
[code]
Definition of constants in namespace
CDPL::Chem::MDLParity
.
file
MOL2BZ2MolecularGraphOutputHandler.hpp
[code]
Definition of the class
CDPL::Chem::MOL2BZ2MolecularGraphOutputHandler
.
file
MOL2BZ2MolecularGraphWriter.hpp
[code]
Definition of the class
CDPL::Chem::MOL2BZ2MolecularGraphWriter
.
file
MOL2BZ2MoleculeInputHandler.hpp
[code]
Definition of the class
CDPL::Chem::MOL2BZ2MoleculeInputHandler
.
file
MOL2BZ2MoleculeReader.hpp
[code]
Definition of the class
CDPL::Chem::MOL2BZ2MoleculeReader
.
file
MOL2ChargeType.hpp
[code]
Definition of constants in namespace
CDPL::Chem::MOL2ChargeType
.
file
MOL2GZMolecularGraphOutputHandler.hpp
[code]
Definition of the class
CDPL::Chem::MOL2GZMolecularGraphOutputHandler
.
file
MOL2GZMolecularGraphWriter.hpp
[code]
Definition of the class
CDPL::Chem::MOL2GZMolecularGraphWriter
.
file
MOL2GZMoleculeInputHandler.hpp
[code]
Definition of the class
CDPL::Chem::MOL2GZMoleculeInputHandler
.
file
MOL2GZMoleculeReader.hpp
[code]
Definition of the class
CDPL::Chem::MOL2GZMoleculeReader
.
file
MOL2MolecularGraphOutputHandler.hpp
[code]
Definition of the class
CDPL::Chem::MOL2MolecularGraphOutputHandler
.
file
MOL2MolecularGraphWriter.hpp
[code]
Definition of the class
CDPL::Chem::MOL2MolecularGraphWriter
.
file
MOL2MoleculeInputHandler.hpp
[code]
Definition of the class
CDPL::Chem::MOL2MoleculeInputHandler
.
file
MOL2MoleculeReader.hpp
[code]
Definition of the class
CDPL::Chem::MOL2MoleculeReader
.
file
MOL2MoleculeType.hpp
[code]
Definition of constants in namespace
CDPL::Chem::MOL2MoleculeType
.
file
MolecularGraph.hpp
[code]
Definition of the class
CDPL::Chem::MolecularGraph
.
file
MolecularGraphComponentGroupingMatchExpression.hpp
[code]
Definition of the class CDPL::Chem::ComponentGroupingMatchExpression.
file
Chem/MolecularGraphFunctions.hpp
[code]
Declaration of functions that operate on Chem::MolecularGraph instances.
file
MolecularGraphMatchConstraint.hpp
[code]
Definition of constants in namespace
CDPL::Chem::MolecularGraphMatchConstraint
.
file
Chem/MolecularGraphProperty.hpp
[code]
Definition of constants in namespace
CDPL::Chem::MolecularGraphProperty
.
file
Chem/MolecularGraphPropertyDefault.hpp
[code]
Definition of constants in namespace
CDPL::Chem::MolecularGraphPropertyDefault
.
file
MolecularGraphWriter.hpp
[code]
Definition of the class
CDPL::Chem::MolecularGraphWriter
.
file
Molecule.hpp
[code]
Definition of the class
CDPL::Chem::Molecule
.
file
Chem/MoleculeFunctions.hpp
[code]
Declaration of functions that operate on Chem::Molecule instances.
file
MoleculeReader.hpp
[code]
Definition of the class
CDPL::Chem::MoleculeReader
.
file
MOLMolecularGraphOutputHandler.hpp
[code]
Definition of the class
CDPL::Chem::MOLMolecularGraphOutputHandler
.
file
MOLMolecularGraphWriter.hpp
[code]
Definition of the class
CDPL::Chem::MOLMolecularGraphWriter
.
file
MOLMoleculeInputHandler.hpp
[code]
Definition of the class
CDPL::Chem::MOLMoleculeInputHandler
.
file
MOLMoleculeReader.hpp
[code]
Definition of the class
CDPL::Chem::MOLMoleculeReader
.
file
MorganNumberingCalculator.hpp
[code]
Definition of the class
CDPL::Chem::MorganNumberingCalculator
.
file
MultiConfMoleculeInputProcessor.hpp
[code]
Definition of the class
CDPL::Chem::MultiConfMoleculeInputProcessor
.
file
NitroAciTautomerization.hpp
[code]
Definition of the class
CDPL::Chem::NitroAciTautomerization
.
file
NitrosoOximeTautomerization.hpp
[code]
Definition of the class
CDPL::Chem::NitrosoOximeTautomerization
.
file
NOTMatchExpression.hpp
[code]
Definition of the class
CDPL::Chem::NOTMatchExpression
.
file
ORMatchExpressionList.hpp
[code]
Definition of the class
CDPL::Chem::ORMatchExpressionList
.
file
PatternAtomTyper.hpp
[code]
Definition of the class
CDPL::Chem::PatternAtomTyper
.
file
PatternBasedTautomerizationRule.hpp
[code]
Definition of the class
CDPL::Chem::PatternBasedTautomerizationRule
.
file
PhosphinicAcidTautomerization.hpp
[code]
Definition of the class
CDPL::Chem::PhosphinicAcidTautomerization
.
file
PiElectronSystemList.hpp
[code]
Definition of the class
CDPL::Chem::PiElectronSystemList
.
file
PropertyMatchExpression.hpp
[code]
Definition of the class
CDPL::Chem::PropertyMatchExpression
.
file
ProtonationStateStandardizer.hpp
[code]
Definition of the class
CDPL::Chem::ProtonationStateStandardizer
.
file
RadicalType.hpp
[code]
Definition of constants in namespace
CDPL::Chem::RadicalType
.
file
RDFBZ2ReactionInputHandler.hpp
[code]
Definition of the class
CDPL::Chem::RDFBZ2ReactionInputHandler
.
file
RDFBZ2ReactionOutputHandler.hpp
[code]
Definition of the class
CDPL::Chem::RDFBZ2ReactionOutputHandler
.
file
RDFBZ2ReactionReader.hpp
[code]
Definition of the class
CDPL::Chem::RDFBZ2ReactionReader
.
file
RDFBZ2ReactionWriter.hpp
[code]
Definition of the class
CDPL::Chem::RDFBZ2ReactionWriter
.
file
RDFGZReactionInputHandler.hpp
[code]
Definition of the class
CDPL::Chem::RDFGZReactionInputHandler
.
file
RDFGZReactionOutputHandler.hpp
[code]
Definition of the class
CDPL::Chem::RDFGZReactionOutputHandler
.
file
RDFGZReactionReader.hpp
[code]
Definition of the class
CDPL::Chem::RDFGZReactionReader
.
file
RDFGZReactionWriter.hpp
[code]
Definition of the class
CDPL::Chem::RDFGZReactionWriter
.
file
RDFReactionInputHandler.hpp
[code]
Definition of the class
CDPL::Chem::RDFReactionInputHandler
.
file
RDFReactionOutputHandler.hpp
[code]
Definition of the class
CDPL::Chem::RDFReactionOutputHandler
.
file
RDFReactionReader.hpp
[code]
Definition of the class
CDPL::Chem::RDFReactionReader
.
file
RDFReactionWriter.hpp
[code]
Definition of the class
CDPL::Chem::RDFReactionWriter
.
file
Reaction.hpp
[code]
Definition of the class
CDPL::Chem::Reaction
.
file
ReactionAtomMappingMatchExpression.hpp
[code]
Definition of the class
CDPL::Chem::ReactionAtomMappingMatchExpression
.
file
ReactionCenterStatus.hpp
[code]
Definition of constants in namespace
CDPL::Chem::ReactionCenterStatus
.
file
ReactionComponentGroupingMatchExpression.hpp
[code]
Definition of the class
CDPL::Chem::ReactionComponentGroupingMatchExpression
.
file
Chem/ReactionFunctions.hpp
[code]
Declaration of functions that operate on Chem::Reaction instances.
file
ReactionMatchConstraint.hpp
[code]
Definition of constants in namespace
CDPL::Chem::ReactionMatchConstraint
.
file
Chem/ReactionProperty.hpp
[code]
Definition of constants in namespace
CDPL::Chem::ReactionProperty
.
file
Chem/ReactionPropertyDefault.hpp
[code]
Definition of constants in namespace
CDPL::Chem::ReactionPropertyDefault
.
file
ReactionReader.hpp
[code]
Definition of the class
CDPL::Chem::ReactionReader
.
file
ReactionRole.hpp
[code]
Definition of constants in namespace
CDPL::Chem::ReactionRole
.
file
ReactionSubstructureSearch.hpp
[code]
Definition of the class
CDPL::Chem::ReactionSubstructureSearch
.
file
ReactionWriter.hpp
[code]
Definition of the class
CDPL::Chem::ReactionWriter
.
file
Reactor.hpp
[code]
Definition of the class
CDPL::Chem::Reactor
.
file
RECAPAtomLabel.hpp
[code]
Definition of constants in namespace
CDPL::Chem::RECAPAtomLabel
.
file
RECAPFragmentGenerator.hpp
[code]
Definition of the class
CDPL::Chem::RECAPFragmentGenerator
.
file
RECAPRuleID.hpp
[code]
Definition of constants in namespace
CDPL::Chem::RECAPRuleID
.
file
ResonanceStructureGenerator.hpp
[code]
Definition of the class
CDPL::Chem::ResonanceStructureGenerator
.
file
RXNReactionInputHandler.hpp
[code]
Definition of the class
CDPL::Chem::RXNReactionInputHandler
.
file
RXNReactionOutputHandler.hpp
[code]
Definition of the class
CDPL::Chem::RXNReactionOutputHandler
.
file
RXNReactionReader.hpp
[code]
Definition of the class
CDPL::Chem::RXNReactionReader
.
file
RXNReactionWriter.hpp
[code]
Definition of the class
CDPL::Chem::RXNReactionWriter
.
file
SDFBZ2MolecularGraphOutputHandler.hpp
[code]
Definition of the class
CDPL::Chem::SDFBZ2MolecularGraphOutputHandler
.
file
SDFBZ2MolecularGraphWriter.hpp
[code]
Definition of the class
CDPL::Chem::SDFBZ2MolecularGraphWriter
.
file
SDFBZ2MoleculeInputHandler.hpp
[code]
Definition of the class
CDPL::Chem::SDFBZ2MoleculeInputHandler
.
file
SDFBZ2MoleculeReader.hpp
[code]
Definition of the class
CDPL::Chem::SDFBZ2MoleculeReader
.
file
SDFGZMolecularGraphOutputHandler.hpp
[code]
Definition of the class
CDPL::Chem::SDFGZMolecularGraphOutputHandler
.
file
SDFGZMolecularGraphWriter.hpp
[code]
Definition of the class
CDPL::Chem::SDFGZMolecularGraphWriter
.
file
SDFGZMoleculeInputHandler.hpp
[code]
Definition of the class
CDPL::Chem::SDFGZMoleculeInputHandler
.
file
SDFGZMoleculeReader.hpp
[code]
Definition of the class
CDPL::Chem::SDFGZMoleculeReader
.
file
SDFMolecularGraphOutputHandler.hpp
[code]
Definition of the class
CDPL::Chem::SDFMolecularGraphOutputHandler
.
file
SDFMolecularGraphWriter.hpp
[code]
Definition of the class
CDPL::Chem::SDFMolecularGraphWriter
.
file
SDFMoleculeInputHandler.hpp
[code]
Definition of the class
CDPL::Chem::SDFMoleculeInputHandler
.
file
SDFMoleculeReader.hpp
[code]
Definition of the class
CDPL::Chem::SDFMoleculeReader
.
file
SmallestSetOfSmallestRings.hpp
[code]
Definition of the class
CDPL::Chem::SmallestSetOfSmallestRings
.
file
SMARTSMolecularGraphOutputHandler.hpp
[code]
Definition of the class
CDPL::Chem::SMARTSMolecularGraphOutputHandler
.
file
SMARTSMolecularGraphWriter.hpp
[code]
Definition of the class
CDPL::Chem::SMARTSMolecularGraphWriter
.
file
SMARTSMoleculeInputHandler.hpp
[code]
Definition of the class
CDPL::Chem::SMARTSMoleculeInputHandler
.
file
SMARTSMoleculeReader.hpp
[code]
Definition of the class
CDPL::Chem::SMARTSMoleculeReader
.
file
SMARTSReactionInputHandler.hpp
[code]
Definition of the class
CDPL::Chem::SMARTSReactionInputHandler
.
file
SMARTSReactionOutputHandler.hpp
[code]
Definition of the class
CDPL::Chem::SMARTSReactionOutputHandler
.
file
SMARTSReactionReader.hpp
[code]
Definition of the class
CDPL::Chem::SMARTSReactionReader
.
file
SMARTSReactionWriter.hpp
[code]
Definition of the class
CDPL::Chem::SMARTSReactionWriter
.
file
SMILESBZ2MolecularGraphOutputHandler.hpp
[code]
Definition of the class
CDPL::Chem::SMILESBZ2MolecularGraphOutputHandler
.
file
SMILESBZ2MolecularGraphWriter.hpp
[code]
Definition of the class
CDPL::Chem::SMILESBZ2MolecularGraphWriter
.
file
SMILESBZ2MoleculeInputHandler.hpp
[code]
Definition of the class
CDPL::Chem::SMILESBZ2MoleculeInputHandler
.
file
SMILESBZ2MoleculeReader.hpp
[code]
Definition of the class
CDPL::Chem::SMILESBZ2MoleculeReader
.
file
SMILESBZ2ReactionInputHandler.hpp
[code]
Definition of the class
CDPL::Chem::SMILESBZ2ReactionInputHandler
.
file
SMILESBZ2ReactionOutputHandler.hpp
[code]
Definition of the class
CDPL::Chem::SMILESBZ2ReactionOutputHandler
.
file
SMILESBZ2ReactionReader.hpp
[code]
Definition of the class
CDPL::Chem::SMILESBZ2ReactionReader
.
file
SMILESBZ2ReactionWriter.hpp
[code]
Definition of the class
CDPL::Chem::SMILESBZ2ReactionWriter
.
file
SMILESGZMolecularGraphOutputHandler.hpp
[code]
Definition of the class
CDPL::Chem::SMILESGZMolecularGraphOutputHandler
.
file
SMILESGZMolecularGraphWriter.hpp
[code]
Definition of the class
CDPL::Chem::SMILESGZMolecularGraphWriter
.
file
SMILESGZMoleculeInputHandler.hpp
[code]
Definition of the class
CDPL::Chem::SMILESGZMoleculeInputHandler
.
file
SMILESGZMoleculeReader.hpp
[code]
Definition of the class
CDPL::Chem::SMILESGZMoleculeReader
.
file
SMILESGZReactionInputHandler.hpp
[code]
Definition of the class
CDPL::Chem::SMILESGZReactionInputHandler
.
file
SMILESGZReactionOutputHandler.hpp
[code]
Definition of the class
CDPL::Chem::SMILESGZReactionOutputHandler
.
file
SMILESGZReactionReader.hpp
[code]
Definition of the class
CDPL::Chem::SMILESGZReactionReader
.
file
SMILESGZReactionWriter.hpp
[code]
Definition of the class
CDPL::Chem::SMILESGZReactionWriter
.
file
SMILESMolecularGraphOutputHandler.hpp
[code]
Definition of the class
CDPL::Chem::SMILESMolecularGraphOutputHandler
.
file
SMILESMolecularGraphWriter.hpp
[code]
Definition of the class
CDPL::Chem::SMILESMolecularGraphWriter
.
file
SMILESMoleculeInputHandler.hpp
[code]
Definition of the class
CDPL::Chem::SMILESMoleculeInputHandler
.
file
SMILESMoleculeReader.hpp
[code]
Definition of the class
CDPL::Chem::SMILESMoleculeReader
.
file
SMILESReactionInputHandler.hpp
[code]
Definition of the class
CDPL::Chem::SMILESReactionInputHandler
.
file
SMILESReactionOutputHandler.hpp
[code]
Definition of the class
CDPL::Chem::SMILESReactionOutputHandler
.
file
SMILESReactionReader.hpp
[code]
Definition of the class
CDPL::Chem::SMILESReactionReader
.
file
SMILESReactionWriter.hpp
[code]
Definition of the class
CDPL::Chem::SMILESReactionWriter
.
file
SpatialEntityAlignment.hpp
[code]
Definition of the class
CDPL::Chem::SpatialEntityAlignment
.
file
StereoDescriptor.hpp
[code]
Definition of the type
CDPL::Chem::StereoDescriptor
.
file
StereoisomerGenerator.hpp
[code]
Definition of the class
CDPL::Chem::StereoisomerGenerator
.
file
StringDataBlock.hpp
[code]
Definition of the class CDPL::Chem::StringDataBlockItem and the type
CDPL::Chem::StringDataBlock
.
file
SubstructureHistogramCalculator.hpp
[code]
Definition of the class
CDPL::Chem::SubstructureHistogramCalculator
.
file
SubstructureSearch.hpp
[code]
Definition of the class
CDPL::Chem::SubstructureSearch
.
file
SulfenicAcidTautomerization.hpp
[code]
Definition of the class
CDPL::Chem::SulfenicAcidTautomerization
.
file
SurfaceAtomExtractor.hpp
[code]
Definition of the class
CDPL::Chem::SurfaceAtomExtractor
.
file
SybylAtomType.hpp
[code]
Definition of constants in namespace
CDPL::Chem::SybylAtomType
.
file
SybylBondType.hpp
[code]
Definition of constants in namespace
CDPL::Chem::SybylBondType
.
file
SymmetryClassCalculator.hpp
[code]
Definition of the class
CDPL::Chem::SymmetryClassCalculator
.
file
TautomerGenerator.hpp
[code]
Definition of the class
CDPL::Chem::TautomerGenerator
.
file
TautomerizationRule.hpp
[code]
Definition of the class
CDPL::Chem::TautomerizationRule
.
file
TautomerizationType.hpp
[code]
Definition of constants in namespace
CDPL::Chem::TautomerizationType
.
file
TautomerScore.hpp
[code]
Definition of the class
CDPL::Chem::TautomerScore
.
file
TopologicalEntityAlignment.hpp
[code]
Definition of the class
CDPL::Chem::TopologicalEntityAlignment
.
file
Chem/UtilityFunctions.hpp
[code]
Declaration of miscellaneous utility functions.
file
XYZBZ2MolecularGraphOutputHandler.hpp
[code]
Definition of the class
CDPL::Chem::XYZBZ2MolecularGraphOutputHandler
.
file
XYZBZ2MolecularGraphWriter.hpp
[code]
Definition of the class
CDPL::Chem::XYZBZ2MolecularGraphWriter
.
file
XYZBZ2MoleculeInputHandler.hpp
[code]
Definition of the class
CDPL::Chem::XYZBZ2MoleculeInputHandler
.
file
XYZBZ2MoleculeReader.hpp
[code]
Definition of the class
CDPL::Chem::XYZBZ2MoleculeReader
.
file
XYZGZMolecularGraphOutputHandler.hpp
[code]
Definition of the class
CDPL::Chem::XYZGZMolecularGraphOutputHandler
.
file
XYZGZMolecularGraphWriter.hpp
[code]
Definition of the class
CDPL::Chem::XYZGZMolecularGraphWriter
.
file
XYZGZMoleculeInputHandler.hpp
[code]
Definition of the class
CDPL::Chem::XYZGZMoleculeInputHandler
.
file
XYZGZMoleculeReader.hpp
[code]
Definition of the class
CDPL::Chem::XYZGZMoleculeReader
.
file
XYZMolecularGraphOutputHandler.hpp
[code]
Definition of the class
CDPL::Chem::XYZMolecularGraphOutputHandler
.
file
XYZMolecularGraphWriter.hpp
[code]
Definition of the class
CDPL::Chem::XYZMolecularGraphWriter
.
file
XYZMoleculeInputHandler.hpp
[code]
Definition of the class
CDPL::Chem::XYZMoleculeInputHandler
.
file
XYZMoleculeReader.hpp
[code]
Definition of the class
CDPL::Chem::XYZMoleculeReader
.
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