cdpl_api_doc/c%2B%2B_api_doc/Chem_8hpp_source.html

 /*

  * Chem.hpp

  *

  * This file is part of the Chemical Data Processing Toolkit

  *

  * Copyright (C) 2003 Thomas Seidel <thomas.seidel@univie.ac.at>

  *

  * This library is free software; you can redistribute it and/or

  * modify it under the terms of the GNU Lesser General Public

  * License as published by the Free Software Foundation; either

  * version 2 of the License, or (at your option) any later version.

  *

  * This library is distributed in the hope that it will be useful,

  * but WITHOUT ANY WARRANTY; without even the implied warranty of

  * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU

  * Lesser General Public License for more details.

  *

  * You should have received a copy of the GNU Lesser General Public License

  * along with this library; see the file COPYING. If not, write to

  * the Free Software Foundation, Inc., 59 Temple Place - Suite 330,

  * Boston, MA 02111-1307, USA.

  */


 #ifndef CDPL_CHEM_HPP

 #define CDPL_CHEM_HPP


 #include "CDPL/Chem/Entity3D.hpp"

 #include "CDPL/Chem/Entity3DContainer.hpp"

 #include "CDPL/Chem/AtomContainer.hpp"

 #include "CDPL/Chem/BondContainer.hpp"

 #include "CDPL/Chem/MolecularGraph.hpp"

 #include "CDPL/Chem/Molecule.hpp"

 #include "CDPL/Chem/Atom.hpp"

 #include "CDPL/Chem/Bond.hpp"

 #include "CDPL/Chem/Reaction.hpp"

 #include "CDPL/Chem/BasicReaction.hpp"

 #include "CDPL/Chem/BasicMolecule.hpp"

 #include "CDPL/Chem/BasicAtom.hpp"

 #include "CDPL/Chem/BasicBond.hpp"

 #include "CDPL/Chem/Fragment.hpp"

 #include "CDPL/Chem/ElectronSystem.hpp"

 #include "CDPL/Chem/AtomDictionary.hpp"

 #include "CDPL/Chem/FragmentList.hpp"

 #include "CDPL/Chem/ElectronSystemList.hpp"

 #include "CDPL/Chem/Entity3DMapping.hpp"

 #include "CDPL/Chem/AtomMapping.hpp"

 #include "CDPL/Chem/BondMapping.hpp"

 #include "CDPL/Chem/AtomBondMapping.hpp"

 #include "CDPL/Chem/StringDataBlock.hpp"

 #include "CDPL/Chem/MatchConstraintList.hpp"

 #include "CDPL/Chem/StereoDescriptor.hpp"

 #include "CDPL/Chem/MultiConfMoleculeInputProcessor.hpp"

 #include "CDPL/Chem/DefaultMultiConfMoleculeInputProcessor.hpp"

 #include "CDPL/Chem/Atom3DCoordinatesFunction.hpp"

 #include "CDPL/Chem/AtomPriorityFunction.hpp"

 #include "CDPL/Chem/AtomPredicate.hpp"

 #include "CDPL/Chem/BondPredicate.hpp"

 #include "CDPL/Chem/AtomCompareFunction.hpp"

 #include "CDPL/Chem/BondCompareFunction.hpp"

 #include "CDPL/Chem/MatchExpression.hpp"

 #include "CDPL/Chem/MatchExpressionList.hpp"

 #include "CDPL/Chem/ANDMatchExpressionList.hpp"

 #include "CDPL/Chem/ORMatchExpressionList.hpp"

 #include "CDPL/Chem/NOTMatchExpression.hpp"

 #include "CDPL/Chem/PropertyMatchExpression.hpp"

 #include "CDPL/Chem/AtomTypeMatchExpression.hpp"

 #include "CDPL/Chem/AtomEnvironmentMatchExpression.hpp"

 #include "CDPL/Chem/AtomConfigurationMatchExpression.hpp"

 #include "CDPL/Chem/AtomSSSRRingSizeMatchExpression.hpp"

 #include "CDPL/Chem/BondConfigurationMatchExpression.hpp"

 #include "CDPL/Chem/BondDirectionMatchExpression.hpp"

 #include "CDPL/Chem/BondSubstituentDirectionMatchExpression.hpp"

 #include "CDPL/Chem/BondReactionCenterStatusMatchExpression.hpp"

 #include "CDPL/Chem/MolecularGraphComponentGroupingMatchExpression.hpp"

 #include "CDPL/Chem/ReactionAtomMappingMatchExpression.hpp"

 #include "CDPL/Chem/ReactionComponentGroupingMatchExpression.hpp"

 #include "CDPL/Chem/Entity3DProperty.hpp"

 #include "CDPL/Chem/AtomProperty.hpp"

 #include "CDPL/Chem/BondProperty.hpp"

 #include "CDPL/Chem/MolecularGraphProperty.hpp"

 #include "CDPL/Chem/ReactionProperty.hpp"

 #include "CDPL/Chem/AtomPropertyDefault.hpp"

 #include "CDPL/Chem/BondPropertyDefault.hpp"

 #include "CDPL/Chem/MolecularGraphPropertyDefault.hpp"

 #include "CDPL/Chem/ReactionPropertyDefault.hpp"

 #include "CDPL/Chem/AtomPropertyFlag.hpp"

 #include "CDPL/Chem/BondPropertyFlag.hpp"

 #include "CDPL/Chem/ControlParameter.hpp"

 #include "CDPL/Chem/ControlParameterDefault.hpp"

 #include "CDPL/Chem/ControlParameterFunctions.hpp"

 #include "CDPL/Chem/AtomConfiguration.hpp"

 #include "CDPL/Chem/BondConfiguration.hpp"

 #include "CDPL/Chem/CIPDescriptor.hpp"

 #include "CDPL/Chem/MDLParity.hpp"

 #include "CDPL/Chem/BondStereoFlag.hpp"

 #include "CDPL/Chem/AtomType.hpp"

 #include "CDPL/Chem/SybylAtomType.hpp"

 #include "CDPL/Chem/MOL2MoleculeType.hpp"

 #include "CDPL/Chem/MOL2ChargeType.hpp"

 #include "CDPL/Chem/HybridizationState.hpp"

 #include "CDPL/Chem/ReactionCenterStatus.hpp"

 #include "CDPL/Chem/ReactionRole.hpp"

 #include "CDPL/Chem/BondDirection.hpp"

 #include "CDPL/Chem/RadicalType.hpp"

 #include "CDPL/Chem/INCHIReturnCode.hpp"

 #include "CDPL/Chem/MDLDataFormatVersion.hpp"

 #include "CDPL/Chem/DataFormat.hpp"

 #include "CDPL/Chem/TautomerizationType.hpp"

 #include "CDPL/Chem/AtomMatchConstraint.hpp"

 #include "CDPL/Chem/BondMatchConstraint.hpp"

 #include "CDPL/Chem/MolecularGraphMatchConstraint.hpp"

 #include "CDPL/Chem/ReactionMatchConstraint.hpp"

 #include "CDPL/Chem/INCHIMoleculeInputHandler.hpp"

 #include "CDPL/Chem/INCHIMolecularGraphOutputHandler.hpp"

 #include "CDPL/Chem/JMEMoleculeInputHandler.hpp"

 #include "CDPL/Chem/JMEReactionInputHandler.hpp"

 #include "CDPL/Chem/JMEMolecularGraphOutputHandler.hpp"

 #include "CDPL/Chem/JMEReactionOutputHandler.hpp"

 #include "CDPL/Chem/MOLMoleculeInputHandler.hpp"

 #include "CDPL/Chem/MOLMolecularGraphOutputHandler.hpp"

 #include "CDPL/Chem/SDFMoleculeInputHandler.hpp"

 #include "CDPL/Chem/SDFMolecularGraphOutputHandler.hpp"

 #include "CDPL/Chem/RXNReactionInputHandler.hpp"

 #include "CDPL/Chem/RXNReactionOutputHandler.hpp"

 #include "CDPL/Chem/RDFReactionInputHandler.hpp"

 #include "CDPL/Chem/RDFReactionOutputHandler.hpp"

 #include "CDPL/Chem/SMILESMoleculeInputHandler.hpp"

 #include "CDPL/Chem/SMILESReactionInputHandler.hpp"

 #include "CDPL/Chem/SMILESMolecularGraphOutputHandler.hpp"

 #include "CDPL/Chem/SMILESReactionOutputHandler.hpp"

 #include "CDPL/Chem/SMARTSMoleculeInputHandler.hpp"

 #include "CDPL/Chem/SMARTSReactionInputHandler.hpp"

 #include "CDPL/Chem/SMARTSMolecularGraphOutputHandler.hpp"

 #include "CDPL/Chem/SMARTSReactionOutputHandler.hpp"

 #include "CDPL/Chem/CDFMoleculeInputHandler.hpp"

 #include "CDPL/Chem/CDFMolecularGraphOutputHandler.hpp"

 #include "CDPL/Chem/CDFReactionInputHandler.hpp"

 #include "CDPL/Chem/CDFReactionOutputHandler.hpp"

 #include "CDPL/Chem/MOL2MoleculeInputHandler.hpp"

 #include "CDPL/Chem/MOL2MolecularGraphOutputHandler.hpp"

 #include "CDPL/Chem/XYZMoleculeInputHandler.hpp"

 #include "CDPL/Chem/XYZMolecularGraphOutputHandler.hpp"

 #include "CDPL/Chem/CMLMoleculeInputHandler.hpp"

 #include "CDPL/Chem/CMLMolecularGraphOutputHandler.hpp"

 #include "CDPL/Chem/SDFGZMoleculeInputHandler.hpp"

 #include "CDPL/Chem/SDFGZMolecularGraphOutputHandler.hpp"

 #include "CDPL/Chem/SDFBZ2MoleculeInputHandler.hpp"

 #include "CDPL/Chem/SDFBZ2MolecularGraphOutputHandler.hpp"

 #include "CDPL/Chem/SMILESGZMoleculeInputHandler.hpp"

 #include "CDPL/Chem/SMILESGZReactionInputHandler.hpp"

 #include "CDPL/Chem/SMILESGZMolecularGraphOutputHandler.hpp"

 #include "CDPL/Chem/SMILESGZReactionOutputHandler.hpp"

 #include "CDPL/Chem/SMILESBZ2MoleculeInputHandler.hpp"

 #include "CDPL/Chem/SMILESBZ2ReactionInputHandler.hpp"

 #include "CDPL/Chem/SMILESBZ2MolecularGraphOutputHandler.hpp"

 #include "CDPL/Chem/SMILESBZ2ReactionOutputHandler.hpp"

 #include "CDPL/Chem/RDFGZReactionInputHandler.hpp"

 #include "CDPL/Chem/RDFGZReactionOutputHandler.hpp"

 #include "CDPL/Chem/RDFBZ2ReactionInputHandler.hpp"

 #include "CDPL/Chem/RDFBZ2ReactionOutputHandler.hpp"

 #include "CDPL/Chem/CDFGZMoleculeInputHandler.hpp"

 #include "CDPL/Chem/CDFGZMolecularGraphOutputHandler.hpp"

 #include "CDPL/Chem/CDFBZ2MoleculeInputHandler.hpp"

 #include "CDPL/Chem/CDFBZ2MolecularGraphOutputHandler.hpp"

 #include "CDPL/Chem/CDFGZReactionInputHandler.hpp"

 #include "CDPL/Chem/CDFGZReactionOutputHandler.hpp"

 #include "CDPL/Chem/CDFBZ2ReactionInputHandler.hpp"

 #include "CDPL/Chem/CDFBZ2ReactionOutputHandler.hpp"

 #include "CDPL/Chem/MOL2GZMoleculeInputHandler.hpp"

 #include "CDPL/Chem/MOL2GZMolecularGraphOutputHandler.hpp"

 #include "CDPL/Chem/MOL2BZ2MoleculeInputHandler.hpp"

 #include "CDPL/Chem/MOL2BZ2MolecularGraphOutputHandler.hpp"

 #include "CDPL/Chem/XYZGZMoleculeInputHandler.hpp"

 #include "CDPL/Chem/XYZGZMolecularGraphOutputHandler.hpp"

 #include "CDPL/Chem/XYZBZ2MoleculeInputHandler.hpp"

 #include "CDPL/Chem/XYZBZ2MolecularGraphOutputHandler.hpp"

 #include "CDPL/Chem/CMLGZMoleculeInputHandler.hpp"

 #include "CDPL/Chem/CMLGZMolecularGraphOutputHandler.hpp"

 #include "CDPL/Chem/CMLBZ2MoleculeInputHandler.hpp"

 #include "CDPL/Chem/CMLBZ2MolecularGraphOutputHandler.hpp"

 #include "CDPL/Chem/SDFGZMoleculeReader.hpp"

 #include "CDPL/Chem/SDFGZMolecularGraphWriter.hpp"

 #include "CDPL/Chem/SDFBZ2MoleculeReader.hpp"

 #include "CDPL/Chem/SDFBZ2MolecularGraphWriter.hpp"

 #include "CDPL/Chem/RDFGZReactionReader.hpp"

 #include "CDPL/Chem/RDFGZReactionWriter.hpp"

 #include "CDPL/Chem/RDFBZ2ReactionReader.hpp"

 #include "CDPL/Chem/RDFBZ2ReactionWriter.hpp"

 #include "CDPL/Chem/SMILESGZMoleculeReader.hpp"

 #include "CDPL/Chem/SMILESGZMolecularGraphWriter.hpp"

 #include "CDPL/Chem/SMILESBZ2MoleculeReader.hpp"

 #include "CDPL/Chem/SMILESBZ2MolecularGraphWriter.hpp"

 #include "CDPL/Chem/SMILESGZReactionReader.hpp"

 #include "CDPL/Chem/SMILESGZReactionWriter.hpp"

 #include "CDPL/Chem/SMILESBZ2ReactionReader.hpp"

 #include "CDPL/Chem/SMILESBZ2ReactionWriter.hpp"

 #include "CDPL/Chem/CDFGZMoleculeReader.hpp"

 #include "CDPL/Chem/CDFGZMolecularGraphWriter.hpp"

 #include "CDPL/Chem/CDFBZ2MoleculeReader.hpp"

 #include "CDPL/Chem/CDFBZ2MolecularGraphWriter.hpp"

 #include "CDPL/Chem/CDFGZReactionReader.hpp"

 #include "CDPL/Chem/CDFGZReactionWriter.hpp"

 #include "CDPL/Chem/CDFBZ2ReactionReader.hpp"

 #include "CDPL/Chem/CDFBZ2ReactionWriter.hpp"

 #include "CDPL/Chem/MOL2GZMoleculeReader.hpp"

 #include "CDPL/Chem/MOL2GZMolecularGraphWriter.hpp"

 #include "CDPL/Chem/MOL2BZ2MoleculeReader.hpp"

 #include "CDPL/Chem/MOL2BZ2MolecularGraphWriter.hpp"

 #include "CDPL/Chem/XYZGZMoleculeReader.hpp"

 #include "CDPL/Chem/XYZGZMolecularGraphWriter.hpp"

 #include "CDPL/Chem/XYZBZ2MoleculeReader.hpp"

 #include "CDPL/Chem/XYZBZ2MolecularGraphWriter.hpp"

 #include "CDPL/Chem/CMLGZMoleculeReader.hpp"

 #include "CDPL/Chem/CMLGZMolecularGraphWriter.hpp"

 #include "CDPL/Chem/CMLBZ2MoleculeReader.hpp"

 #include "CDPL/Chem/CMLBZ2MolecularGraphWriter.hpp"

 #include "CDPL/Chem/JMEMoleculeReader.hpp"

 #include "CDPL/Chem/JMEReactionReader.hpp"

 #include "CDPL/Chem/JMEMolecularGraphWriter.hpp"

 #include "CDPL/Chem/JMEReactionWriter.hpp"

 #include "CDPL/Chem/SMILESMoleculeReader.hpp"

 #include "CDPL/Chem/SMILESReactionReader.hpp"

 #include "CDPL/Chem/SMILESMolecularGraphWriter.hpp"

 #include "CDPL/Chem/SMILESReactionWriter.hpp"

 #include "CDPL/Chem/SMARTSMoleculeReader.hpp"

 #include "CDPL/Chem/SMARTSReactionReader.hpp"

 #include "CDPL/Chem/SMARTSMolecularGraphWriter.hpp"

 #include "CDPL/Chem/SMARTSReactionWriter.hpp"

 #include "CDPL/Chem/MOLMoleculeReader.hpp"

 #include "CDPL/Chem/MOLMolecularGraphWriter.hpp"

 #include "CDPL/Chem/SDFMoleculeReader.hpp"

 #include "CDPL/Chem/SDFMolecularGraphWriter.hpp"

 #include "CDPL/Chem/RXNReactionReader.hpp"

 #include "CDPL/Chem/RXNReactionWriter.hpp"

 #include "CDPL/Chem/RDFReactionReader.hpp"

 #include "CDPL/Chem/RDFReactionWriter.hpp"

 #include "CDPL/Chem/INCHIMoleculeReader.hpp"

 #include "CDPL/Chem/INCHIMolecularGraphWriter.hpp"

 #include "CDPL/Chem/CDFMoleculeReader.hpp"

 #include "CDPL/Chem/CDFMolecularGraphWriter.hpp"

 #include "CDPL/Chem/CDFReactionReader.hpp"

 #include "CDPL/Chem/CDFReactionWriter.hpp"

 #include "CDPL/Chem/MOL2MoleculeReader.hpp"

 #include "CDPL/Chem/MOL2MolecularGraphWriter.hpp"

 #include "CDPL/Chem/XYZMoleculeReader.hpp"

 #include "CDPL/Chem/XYZMolecularGraphWriter.hpp"

 #include "CDPL/Chem/CMLMoleculeReader.hpp"

 #include "CDPL/Chem/CMLMolecularGraphWriter.hpp"

 #include "CDPL/Chem/MoleculeReader.hpp"

 #include "CDPL/Chem/MolecularGraphWriter.hpp"

 #include "CDPL/Chem/ReactionReader.hpp"

 #include "CDPL/Chem/ReactionWriter.hpp"

 #include "CDPL/Chem/CompleteRingSet.hpp"

 #include "CDPL/Chem/AromaticRingSet.hpp"

 #include "CDPL/Chem/AromaticSSSRSubset.hpp"

 #include "CDPL/Chem/SmallestSetOfSmallestRings.hpp"

 #include "CDPL/Chem/ExtendedSSSR.hpp"

 #include "CDPL/Chem/AromaticSubstructure.hpp"

 #include "CDPL/Chem/CyclicSubstructure.hpp"

 #include "CDPL/Chem/ConnectedSubstructureSet.hpp"

 #include "CDPL/Chem/ComponentSet.hpp"

 #include "CDPL/Chem/PiElectronSystemList.hpp"

 #include "CDPL/Chem/SubstructureSearch.hpp"

 #include "CDPL/Chem/ReactionSubstructureSearch.hpp"

 #include "CDPL/Chem/CommonConnectedSubstructureSearch.hpp"

 #include "CDPL/Chem/MaxCommonAtomSubstructureSearch.hpp"

 #include "CDPL/Chem/MaxCommonBondSubstructureSearch.hpp"

 #include "CDPL/Chem/AutomorphismGroupSearch.hpp"

 #include "CDPL/Chem/MultiSubstructureSearch.hpp"

 #include "CDPL/Chem/Reactor.hpp"

 #include "CDPL/Chem/MorganNumberingCalculator.hpp"

 #include "CDPL/Chem/CIPPriorityCalculator.hpp"

 #include "CDPL/Chem/CIPConfigurationLabeler.hpp"

 #include "CDPL/Chem/CanonicalNumberingCalculator.hpp"

 #include "CDPL/Chem/HashCodeCalculator.hpp"

 #include "CDPL/Chem/Atom2DCoordinatesCalculator.hpp"

 #include "CDPL/Chem/Hydrogen3DCoordinatesCalculator.hpp"

 #include "CDPL/Chem/BondStereoFlagCalculator.hpp"

 #include "CDPL/Chem/BondOrderCalculator.hpp"

 #include "CDPL/Chem/KekuleStructureCalculator.hpp"

 #include "CDPL/Chem/SymmetryClassCalculator.hpp"

 #include "CDPL/Chem/SurfaceAtomExtractor.hpp"

 #include "CDPL/Chem/PatternAtomTyper.hpp"

 #include "CDPL/Chem/SubstructureHistogramCalculator.hpp"

 #include "CDPL/Chem/TautomerScore.hpp"

 #include "CDPL/Chem/TautomerGenerator.hpp"

 #include "CDPL/Chem/DefaultTautomerGenerator.hpp"

 #include "CDPL/Chem/TautomerizationRule.hpp"

 #include "CDPL/Chem/PatternBasedTautomerizationRule.hpp"

 #include "CDPL/Chem/KetoEnolTautomerization.hpp"

 #include "CDPL/Chem/ImineEnamineTautomerization.hpp"

 #include "CDPL/Chem/NitrosoOximeTautomerization.hpp"

 #include "CDPL/Chem/AmideImidicAcidTautomerization.hpp"

 #include "CDPL/Chem/LactamLactimTautomerization.hpp"

 #include "CDPL/Chem/KeteneYnolTautomerization.hpp"

 #include "CDPL/Chem/NitroAciTautomerization.hpp"

 #include "CDPL/Chem/PhosphinicAcidTautomerization.hpp"

 #include "CDPL/Chem/SulfenicAcidTautomerization.hpp"

 #include "CDPL/Chem/GenericHydrogen13ShiftTautomerization.hpp"

 #include "CDPL/Chem/GenericHydrogen15ShiftTautomerization.hpp"

 #include "CDPL/Chem/ResonanceStructureGenerator.hpp"

 #include "CDPL/Chem/StereoisomerGenerator.hpp"

 #include "CDPL/Chem/ChEMBLStandardizer.hpp"

 #include "CDPL/Chem/ProtonationStateStandardizer.hpp"

 #include "CDPL/Chem/FragmentGenerator.hpp"

 #include "CDPL/Chem/RECAPRuleID.hpp"

 #include "CDPL/Chem/RECAPAtomLabel.hpp"

 #include "CDPL/Chem/RECAPFragmentGenerator.hpp"

 #include "CDPL/Chem/BRICSRuleID.hpp"

 #include "CDPL/Chem/BRICSAtomLabel.hpp"

 #include "CDPL/Chem/BRICSFragmentGenerator.hpp"

 #include "CDPL/Chem/BemisMurckoAnalyzer.hpp"

 #include "CDPL/Chem/TopologicalEntityAlignment.hpp"

 #include "CDPL/Chem/SpatialEntityAlignment.hpp"

 #include "CDPL/Chem/Atom3DCoordinatesFunctor.hpp"

 #include "CDPL/Chem/AtomConformer3DCoordinatesFunctor.hpp"

 #include "CDPL/Chem/AtomArray3DCoordinatesFunctor.hpp"

 #include "CDPL/Chem/UtilityFunctions.hpp"

 #include "CDPL/Chem/AtomContainerFunctions.hpp"

 #include "CDPL/Chem/Entity3DContainerFunctions.hpp"

 #include "CDPL/Chem/AtomFunctions.hpp"

 #include "CDPL/Chem/BondFunctions.hpp"

 #include "CDPL/Chem/MolecularGraphFunctions.hpp"

 #include "CDPL/Chem/MoleculeFunctions.hpp"

 #include "CDPL/Chem/FragmentFunctions.hpp"

 #include "CDPL/Chem/ReactionFunctions.hpp"


 #endif // CDPL_CHEM_HPP

ANDMatchExpressionList.hpp
Definition of the class CDPL::Chem::ANDMatchExpressionList.

AmideImidicAcidTautomerization.hpp
Definition of the class CDPL::Chem::AmideImidicAcidTautomerization.

AromaticRingSet.hpp
Definition of the class CDPL::Chem::AromaticRingSet.

AromaticSSSRSubset.hpp
Definition of the class CDPL::Chem::AromaticSSSRSubset.

AromaticSubstructure.hpp
Definition of the class CDPL::Chem::AromaticSubstructure.

Atom2DCoordinatesCalculator.hpp
Definition of the class CDPL::Chem::Atom2DCoordinatesCalculator.

Atom3DCoordinatesFunction.hpp
Type definition of a generic wrapper class for storing user-defined Chem::Atom 3D-coordinates functio...

Atom3DCoordinatesFunctor.hpp
Definition of the class CDPL::Chem::Atom3DCoordinatesFunctor.

AtomArray3DCoordinatesFunctor.hpp
Definition of the class CDPL::Chem::AtomArray3DCoordinatesFunctor.

AtomBondMapping.hpp
Definition of the class CDPL::Chem::AtomBondMapping.

AtomCompareFunction.hpp
Type definition of a generic wrapper class for storing user-defined Chem::Atom compare functions.

AtomConfigurationMatchExpression.hpp
Definition of the class CDPL::Chem::AtomConfigurationMatchExpression.

AtomConfiguration.hpp
Definition of constants in namespace CDPL::Chem::AtomConfiguration.

AtomConformer3DCoordinatesFunctor.hpp
Definition of the class CDPL::Chem::AtomConformer3DCoordinatesFunctor.

AtomContainer.hpp
Definition of the class CDPL::Chem::AtomContainer.

AtomDictionary.hpp
Definition of the class CDPL::Chem::AtomDictionary.

AtomEnvironmentMatchExpression.hpp
Definition of the class CDPL::Chem::AtomEnvironmentMatchExpression.

AtomMapping.hpp
Definition of the type CDPL::Chem::AtomMapping.

AtomMatchConstraint.hpp
Definition of constants in namespace CDPL::Chem::AtomMatchConstraint.

AtomPredicate.hpp
Type definition of a generic wrapper class for storing user-defined Chem::Atom predicates.

AtomPriorityFunction.hpp
Type definition of a generic wrapper class for storing user-defined Chem::Atom 3D-coordinates functio...

AtomSSSRRingSizeMatchExpression.hpp
Definition of the class CDPL::Chem::AtomSSSRRingSizeMatchExpression.

AtomTypeMatchExpression.hpp
Definition of the class CDPL::Chem::AtomTypeMatchExpression.

AtomType.hpp
Definition of constants in namespace CDPL::Chem::AtomType.

Atom.hpp
Definition of the class CDPL::Chem::Atom.

AutomorphismGroupSearch.hpp
Definition of the class CDPL::Chem::AutomorphismGroupSearch.

BRICSAtomLabel.hpp
Definition of constants in namespace CDPL::Chem::BRICSAtomLabel.

BRICSFragmentGenerator.hpp
Definition of the class CDPL::Chem::BRICSFragmentGenerator.

BRICSRuleID.hpp
Definition of constants in namespace CDPL::Chem::BRICSRuleID.

BasicAtom.hpp
Definition of the class CDPL::Chem::BasicAtom.

BasicBond.hpp
Definition of the class CDPL::Chem::BasicBond.

BasicMolecule.hpp
Definition of the class CDPL::Chem::BasicMolecule.

BasicReaction.hpp
Definition of the class CDPL::Chem::BasicReaction.

BemisMurckoAnalyzer.hpp
Definition of the class CDPL::Chem::BemisMurckoAnalyzer.

BondCompareFunction.hpp
Type definition of a generic wrapper class for storing user-defined Chem::Bond compare functions.

BondConfigurationMatchExpression.hpp
Definition of the class CDPL::Chem::BondConfigurationMatchExpression.

BondConfiguration.hpp
Definition of constants in namespace CDPL::Chem::BondConfiguration.

BondContainer.hpp
Definition of the class CDPL::Chem::BondContainer.

BondDirectionMatchExpression.hpp
Definition of the class CDPL::Chem::BondDirectionMatchExpression.

BondDirection.hpp
Definition of constants in namespace CDPL::Chem::BondDirection.

BondMapping.hpp
Definition of the type CDPL::Chem::BondMapping.

BondMatchConstraint.hpp
Definition of constants in namespace CDPL::Chem::BondMatchConstraint.

BondOrderCalculator.hpp
Definition of the class CDPL::Chem::BondOrderCalculator.

BondPredicate.hpp
Type definition of a generic wrapper class for storing user-defined Chem::Bond predicates.

BondPropertyFlag.hpp
Definition of constants in namespace CDPL::Chem::BondPropertyFlag.

BondReactionCenterStatusMatchExpression.hpp
Definition of the class CDPL::Chem::BondReactionCenterStatusMatchExpression.

BondStereoFlagCalculator.hpp
Definition of the class CDPL::Chem::BondStereoFlagCalculator.

BondStereoFlag.hpp
Definition of constants in namespace CDPL::Chem::BondStereoFlag.

BondSubstituentDirectionMatchExpression.hpp
Definition of the class CDPL::Chem::BondSubstituentDirectionMatchExpression.

Bond.hpp
Definition of the class CDPL::Chem::Bond.

CDFBZ2MolecularGraphOutputHandler.hpp
Definition of the class CDPL::Chem::CDFBZ2MolecularGraphOutputHandler.

CDFBZ2MolecularGraphWriter.hpp
Definition of the class CDPL::Chem::CDFBZ2MolecularGraphWriter.

CDFBZ2MoleculeInputHandler.hpp
Definition of the class CDPL::Chem::CDFBZ2MoleculeInputHandler.

CDFBZ2MoleculeReader.hpp
Definition of the class CDPL::Chem::CDFBZ2MoleculeReader.

CDFBZ2ReactionInputHandler.hpp
Definition of the class CDPL::Chem::CDFBZ2ReactionInputHandler.

CDFBZ2ReactionOutputHandler.hpp
Definition of the class CDPL::Chem::CDFBZ2ReactionOutputHandler.

CDFBZ2ReactionReader.hpp
Definition of the class CDPL::Chem::CDFBZ2ReactionReader.

CDFBZ2ReactionWriter.hpp
Definition of the class CDPL::Chem::CDFBZ2ReactionWriter.

CDFGZMolecularGraphOutputHandler.hpp
Definition of the class CDPL::Chem::CDFGZMolecularGraphOutputHandler.

CDFGZMolecularGraphWriter.hpp
Definition of the class CDPL::Chem::CDFGZMolecularGraphWriter.

CDFGZMoleculeInputHandler.hpp
Definition of the class CDPL::Chem::CDFGZMoleculeInputHandler.

CDFGZMoleculeReader.hpp
Definition of the class CDPL::Chem::CDFGZMoleculeReader.

CDFGZReactionInputHandler.hpp
Definition of the class CDPL::Chem::CDFGZReactionInputHandler.

CDFGZReactionOutputHandler.hpp
Definition of the class CDPL::Chem::CDFGZReactionOutputHandler.

CDFGZReactionReader.hpp
Definition of the class CDPL::Chem::CDFGZReactionReader.

CDFGZReactionWriter.hpp
Definition of the class CDPL::Chem::CDFGZReactionWriter.

CDFMolecularGraphOutputHandler.hpp
Definition of the class CDPL::Chem::CDFMolecularGraphOutputHandler.

CDFMolecularGraphWriter.hpp
Definition of the class CDPL::Chem::CDFMolecularGraphWriter.

CDFMoleculeInputHandler.hpp
Definition of the class CDPL::Chem::CDFMoleculeInputHandler.

CDFMoleculeReader.hpp
Definition of the class CDPL::Chem::CDFMoleculeReader.

CDFReactionInputHandler.hpp
Definition of the class CDPL::Chem::CDFReactionInputHandler.

CDFReactionOutputHandler.hpp
Definition of the class CDPL::Chem::CDFReactionOutputHandler.

CDFReactionReader.hpp
Definition of the class CDPL::Chem::CDFReactionReader.

CDFReactionWriter.hpp
Definition of the class CDPL::Chem::CDFReactionWriter.

CIPConfigurationLabeler.hpp
Definition of the class CDPL::Chem::CIPConfigurationLabeler.

CIPDescriptor.hpp
Definition of constants in namespace CDPL::Chem::CIPDescriptor.

CIPPriorityCalculator.hpp
Definition of the class CDPL::Chem::CIPPriorityCalculator.

CMLBZ2MolecularGraphOutputHandler.hpp
Definition of the class CDPL::Chem::CMLBZ2MolecularGraphOutputHandler.

CMLBZ2MolecularGraphWriter.hpp
Definition of the class CDPL::Chem::CMLBZ2MolecularGraphWriter.

CMLBZ2MoleculeInputHandler.hpp
Definition of the class CDPL::Chem::CMLBZ2MoleculeInputHandler.

CMLBZ2MoleculeReader.hpp
Definition of the class CDPL::Chem::CMLBZ2MoleculeReader.

CMLGZMolecularGraphOutputHandler.hpp
Definition of the class CDPL::Chem::CMLGZMolecularGraphOutputHandler.

CMLGZMolecularGraphWriter.hpp
Definition of the class CDPL::Chem::CMLGZMolecularGraphWriter.

CMLGZMoleculeInputHandler.hpp
Definition of the class CDPL::Chem::CMLGZMoleculeInputHandler.

CMLGZMoleculeReader.hpp
Definition of the class CDPL::Chem::CMLGZMoleculeReader.

CMLMolecularGraphOutputHandler.hpp
Definition of the class CDPL::Chem::CMLMolecularGraphOutputHandler.

CMLMolecularGraphWriter.hpp
Definition of the class CDPL::Chem::CMLMolecularGraphWriter.

CMLMoleculeInputHandler.hpp
Definition of the class CDPL::Chem::CMLMoleculeInputHandler.

CMLMoleculeReader.hpp
Definition of the class CDPL::Chem::CMLMoleculeReader.

CanonicalNumberingCalculator.hpp
Definition of the class CDPL::Chem::CanonicalNumberingCalculator.

ChEMBLStandardizer.hpp
Definition of the class CDPL::Chem::ChEMBLStandardizer.

AtomContainerFunctions.hpp
Declaration of functions that operate on Chem::AtomContainer instances.

AtomFunctions.hpp
Declaration of functions that operate on Chem::Atom instances.

AtomPropertyDefault.hpp
Definition of constants in namespace CDPL::Chem::AtomPropertyDefault.

AtomPropertyFlag.hpp
Definition of constants in namespace CDPL::Chem::AtomPropertyFlag.

AtomProperty.hpp
Definition of constants in namespace CDPL::Chem::AtomProperty.

BondFunctions.hpp
Declaration of functions that operate on Chem::Bond instances.

BondPropertyDefault.hpp
Definition of constants in namespace CDPL::Chem::BondPropertyDefault.

BondProperty.hpp
Definition of constants in namespace CDPL::Chem::BondProperty.

ControlParameterDefault.hpp
Definition of constants in namespace CDPL::Chem::ControlParameterDefault.

ControlParameterFunctions.hpp
Declaration of convenience functions for control-parameter handling.

ControlParameter.hpp
Definition of constants in namespace CDPL::Chem::ControlParameter.

DataFormat.hpp
Provides the contents of namespace CDPL::Chem::DataFormat.

Entity3DContainerFunctions.hpp
Declaration of functions that operate on Chem::Entity3DContainer instances.

MolecularGraphFunctions.hpp
Declaration of functions that operate on Chem::MolecularGraph instances.

MolecularGraphPropertyDefault.hpp
Definition of constants in namespace CDPL::Chem::MolecularGraphPropertyDefault.

MolecularGraphProperty.hpp
Definition of constants in namespace CDPL::Chem::MolecularGraphProperty.

MoleculeFunctions.hpp
Declaration of functions that operate on Chem::Molecule instances.

ReactionFunctions.hpp
Declaration of functions that operate on Chem::Reaction instances.

ReactionPropertyDefault.hpp
Definition of constants in namespace CDPL::Chem::ReactionPropertyDefault.

ReactionProperty.hpp
Definition of constants in namespace CDPL::Chem::ReactionProperty.

UtilityFunctions.hpp
Declaration of miscellaneous utility functions.

CommonConnectedSubstructureSearch.hpp
Definition of the class CDPL::Chem::CommonConnectedSubstructureSearch.

CompleteRingSet.hpp
Definition of the class CDPL::Chem::CompleteRingSet.

ComponentSet.hpp
Definition of the class CDPL::Chem::ComponentSet.

ConnectedSubstructureSet.hpp
Definition of the class CDPL::Chem::ConnectedSubstructureSet.

CyclicSubstructure.hpp
Definition of the class CDPL::Chem::CyclicSubstructure.

DefaultMultiConfMoleculeInputProcessor.hpp
Definition of the class CDPL::Chem::DefaultMultiConfMoleculeInputProcessor.

DefaultTautomerGenerator.hpp
Definition of the class CDPL::Chem::DefaultTautomerGenerator.

ElectronSystemList.hpp
Definition of the class CDPL::Chem::ElectronSystemList.

ElectronSystem.hpp
Definition of the class CDPL::Chem::ElectronSystem.

Entity3DContainer.hpp
Definition of the class CDPL::Chem::Entity3DContainer.

Entity3DMapping.hpp
Definition of the type CDPL::Chem::Entity3DMapping.

Entity3DProperty.hpp
Definition of constants in namespace CDPL::Chem::Entity3DProperty.

Entity3D.hpp
Definition of the class CDPL::Chem::Entity3D.

ExtendedSSSR.hpp
Definition of the class CDPL::Chem::ExtendedSSSR.

FragmentFunctions.hpp
Declaration of functions that operate on Chem::Fragment instances.

FragmentGenerator.hpp
Definition of the class CDPL::Chem::FragmentGenerator.

FragmentList.hpp
Definition of the class CDPL::Chem::FragmentList.

Fragment.hpp
Definition of the class CDPL::Chem::Fragment.

GenericHydrogen13ShiftTautomerization.hpp
Definition of the class CDPL::Chem::GenericHydrogen13ShiftTautomerization.

GenericHydrogen15ShiftTautomerization.hpp
Definition of the class CDPL::Chem::GenericHydrogen15ShiftTautomerization.

HashCodeCalculator.hpp
Definition of the class CDPL::Chem::HashCodeCalculator.

HybridizationState.hpp
Definition of constants in namespace CDPL::Chem::HybridizationState.

Hydrogen3DCoordinatesCalculator.hpp
Definition of the class CDPL::Chem::Hydrogen3DCoordinatesCalculator.

INCHIMolecularGraphOutputHandler.hpp
Definition of the class CDPL::Chem::INCHIMolecularGraphOutputHandler.

INCHIMolecularGraphWriter.hpp
Definition of the class CDPL::Chem::INCHIMolecularGraphWriter.

INCHIMoleculeInputHandler.hpp
Definition of the class CDPL::Chem::INCHIMoleculeInputHandler.

INCHIMoleculeReader.hpp
Definition of the class CDPL::Chem::INCHIMoleculeReader.

INCHIReturnCode.hpp
Definition of constants in namespace CDPL::Chem::INCHIReturnCode.

ImineEnamineTautomerization.hpp
Definition of the class CDPL::Chem::ImineEnamineTautomerization.

JMEMolecularGraphOutputHandler.hpp
Definition of the class CDPL::Chem::JMEMolecularGraphOutputHandler.

JMEMolecularGraphWriter.hpp
Definition of the class CDPL::Chem::JMEMolecularGraphWriter.

JMEMoleculeInputHandler.hpp
Definition of the class CDPL::Chem::JMEMoleculeInputHandler.

JMEMoleculeReader.hpp
Definition of the class CDPL::Chem::JMEMoleculeReader.

JMEReactionInputHandler.hpp
Definition of the class CDPL::Chem::JMEReactionInputHandler.

JMEReactionOutputHandler.hpp
Definition of the class CDPL::Chem::JMEReactionOutputHandler.

JMEReactionReader.hpp
Definition of the class CDPL::Chem::JMEReactionReader.

JMEReactionWriter.hpp
Definition of the class CDPL::Chem::JMEReactionWriter.

KekuleStructureCalculator.hpp
Definition of the class CDPL::Chem::KekuleStructureCalculator.

KeteneYnolTautomerization.hpp
Definition of the class CDPL::Chem::KeteneYnolTautomerization.

KetoEnolTautomerization.hpp
Definition of the class CDPL::Chem::KetoEnolTautomerization.

LactamLactimTautomerization.hpp
Definition of the class CDPL::Chem::LactamLactimTautomerization.

MDLDataFormatVersion.hpp
Definition of constants in namespace CDPL::Chem::MDLDataFormatVersion.

MDLParity.hpp
Definition of constants in namespace CDPL::Chem::MDLParity.

MOL2BZ2MolecularGraphOutputHandler.hpp
Definition of the class CDPL::Chem::MOL2BZ2MolecularGraphOutputHandler.

MOL2BZ2MolecularGraphWriter.hpp
Definition of the class CDPL::Chem::MOL2BZ2MolecularGraphWriter.

MOL2BZ2MoleculeInputHandler.hpp
Definition of the class CDPL::Chem::MOL2BZ2MoleculeInputHandler.

MOL2BZ2MoleculeReader.hpp
Definition of the class CDPL::Chem::MOL2BZ2MoleculeReader.

MOL2ChargeType.hpp
Definition of constants in namespace CDPL::Chem::MOL2ChargeType.

MOL2GZMolecularGraphOutputHandler.hpp
Definition of the class CDPL::Chem::MOL2GZMolecularGraphOutputHandler.

MOL2GZMolecularGraphWriter.hpp
Definition of the class CDPL::Chem::MOL2GZMolecularGraphWriter.

MOL2GZMoleculeInputHandler.hpp
Definition of the class CDPL::Chem::MOL2GZMoleculeInputHandler.

MOL2GZMoleculeReader.hpp
Definition of the class CDPL::Chem::MOL2GZMoleculeReader.

MOL2MolecularGraphOutputHandler.hpp
Definition of the class CDPL::Chem::MOL2MolecularGraphOutputHandler.

MOL2MolecularGraphWriter.hpp
Definition of the class CDPL::Chem::MOL2MolecularGraphWriter.

MOL2MoleculeInputHandler.hpp
Definition of the class CDPL::Chem::MOL2MoleculeInputHandler.

MOL2MoleculeReader.hpp
Definition of the class CDPL::Chem::MOL2MoleculeReader.

MOL2MoleculeType.hpp
Definition of constants in namespace CDPL::Chem::MOL2MoleculeType.

MOLMolecularGraphOutputHandler.hpp
Definition of the class CDPL::Chem::MOLMolecularGraphOutputHandler.

MOLMolecularGraphWriter.hpp
Definition of the class CDPL::Chem::MOLMolecularGraphWriter.

MOLMoleculeInputHandler.hpp
Definition of the class CDPL::Chem::MOLMoleculeInputHandler.

MOLMoleculeReader.hpp
Definition of the class CDPL::Chem::MOLMoleculeReader.

MatchConstraintList.hpp
Definition of the class CDPL::Chem::MatchConstraintList.

MatchExpressionList.hpp
Definition of the class CDPL::Chem::MatchExpressionList.

MatchExpression.hpp
Definition of the class CDPL::Chem::MatchExpression.

MaxCommonAtomSubstructureSearch.hpp
Definition of the class CDPL::Chem::MaxCommonAtomSubstructureSearch.

MaxCommonBondSubstructureSearch.hpp
Definition of the class CDPL::Chem::MaxCommonBondSubstructureSearch.

MolecularGraphComponentGroupingMatchExpression.hpp
Definition of the class CDPL::Chem::ComponentGroupingMatchExpression.

MolecularGraphMatchConstraint.hpp
Definition of constants in namespace CDPL::Chem::MolecularGraphMatchConstraint.

MolecularGraphWriter.hpp
Definition of the class CDPL::Chem::MolecularGraphWriter.

MolecularGraph.hpp
Definition of the class CDPL::Chem::MolecularGraph.

MoleculeReader.hpp
Definition of the class CDPL::Chem::MoleculeReader.

Molecule.hpp
Definition of the class CDPL::Chem::Molecule.

MorganNumberingCalculator.hpp
Definition of the class CDPL::Chem::MorganNumberingCalculator.

MultiConfMoleculeInputProcessor.hpp
Definition of the class CDPL::Chem::MultiConfMoleculeInputProcessor.

MultiSubstructureSearch.hpp
Definition of the class CDPL::Chem::MultiSubstructureSearch.

NOTMatchExpression.hpp
Definition of the class CDPL::Chem::NOTMatchExpression.

NitroAciTautomerization.hpp
Definition of the class CDPL::Chem::NitroAciTautomerization.

NitrosoOximeTautomerization.hpp
Definition of the class CDPL::Chem::NitrosoOximeTautomerization.

ORMatchExpressionList.hpp
Definition of the class CDPL::Chem::ORMatchExpressionList.

PatternAtomTyper.hpp
Definition of the class CDPL::Chem::PatternAtomTyper.

PatternBasedTautomerizationRule.hpp
Definition of the class CDPL::Chem::PatternBasedTautomerizationRule.

PhosphinicAcidTautomerization.hpp
Definition of the class CDPL::Chem::PhosphinicAcidTautomerization.

PiElectronSystemList.hpp
Definition of the class CDPL::Chem::PiElectronSystemList.

PropertyMatchExpression.hpp
Definition of the class CDPL::Chem::PropertyMatchExpression.

ProtonationStateStandardizer.hpp
Definition of the class CDPL::Chem::ProtonationStateStandardizer.

RDFBZ2ReactionInputHandler.hpp
Definition of the class CDPL::Chem::RDFBZ2ReactionInputHandler.

RDFBZ2ReactionOutputHandler.hpp
Definition of the class CDPL::Chem::RDFBZ2ReactionOutputHandler.

RDFBZ2ReactionReader.hpp
Definition of the class CDPL::Chem::RDFBZ2ReactionReader.

RDFBZ2ReactionWriter.hpp
Definition of the class CDPL::Chem::RDFBZ2ReactionWriter.

RDFGZReactionInputHandler.hpp
Definition of the class CDPL::Chem::RDFGZReactionInputHandler.

RDFGZReactionOutputHandler.hpp
Definition of the class CDPL::Chem::RDFGZReactionOutputHandler.

RDFGZReactionReader.hpp
Definition of the class CDPL::Chem::RDFGZReactionReader.

RDFGZReactionWriter.hpp
Definition of the class CDPL::Chem::RDFGZReactionWriter.

RDFReactionInputHandler.hpp
Definition of the class CDPL::Chem::RDFReactionInputHandler.

RDFReactionOutputHandler.hpp
Definition of the class CDPL::Chem::RDFReactionOutputHandler.

RDFReactionReader.hpp
Definition of the class CDPL::Chem::RDFReactionReader.

RDFReactionWriter.hpp
Definition of the class CDPL::Chem::RDFReactionWriter.

RECAPAtomLabel.hpp
Definition of constants in namespace CDPL::Chem::RECAPAtomLabel.

RECAPFragmentGenerator.hpp
Definition of the class CDPL::Chem::RECAPFragmentGenerator.

RECAPRuleID.hpp
Definition of constants in namespace CDPL::Chem::RECAPRuleID.

RXNReactionInputHandler.hpp
Definition of the class CDPL::Chem::RXNReactionInputHandler.

RXNReactionOutputHandler.hpp
Definition of the class CDPL::Chem::RXNReactionOutputHandler.

RXNReactionReader.hpp
Definition of the class CDPL::Chem::RXNReactionReader.

RXNReactionWriter.hpp
Definition of the class CDPL::Chem::RXNReactionWriter.

RadicalType.hpp
Definition of constants in namespace CDPL::Chem::RadicalType.

ReactionAtomMappingMatchExpression.hpp
Definition of the class CDPL::Chem::ReactionAtomMappingMatchExpression.

ReactionCenterStatus.hpp
Definition of constants in namespace CDPL::Chem::ReactionCenterStatus.

ReactionComponentGroupingMatchExpression.hpp
Definition of the class CDPL::Chem::ReactionComponentGroupingMatchExpression.

ReactionMatchConstraint.hpp
Definition of constants in namespace CDPL::Chem::ReactionMatchConstraint.

ReactionReader.hpp
Definition of the class CDPL::Chem::ReactionReader.

ReactionRole.hpp
Definition of constants in namespace CDPL::Chem::ReactionRole.

ReactionSubstructureSearch.hpp
Definition of the class CDPL::Chem::ReactionSubstructureSearch.

ReactionWriter.hpp
Definition of the class CDPL::Chem::ReactionWriter.

Reaction.hpp
Definition of the class CDPL::Chem::Reaction.

Reactor.hpp
Definition of the class CDPL::Chem::Reactor.

ResonanceStructureGenerator.hpp
Definition of the class CDPL::Chem::ResonanceStructureGenerator.

SDFBZ2MolecularGraphOutputHandler.hpp
Definition of the class CDPL::Chem::SDFBZ2MolecularGraphOutputHandler.

SDFBZ2MolecularGraphWriter.hpp
Definition of the class CDPL::Chem::SDFBZ2MolecularGraphWriter.

SDFBZ2MoleculeInputHandler.hpp
Definition of the class CDPL::Chem::SDFBZ2MoleculeInputHandler.

SDFBZ2MoleculeReader.hpp
Definition of the class CDPL::Chem::SDFBZ2MoleculeReader.

SDFGZMolecularGraphOutputHandler.hpp
Definition of the class CDPL::Chem::SDFGZMolecularGraphOutputHandler.

SDFGZMolecularGraphWriter.hpp
Definition of the class CDPL::Chem::SDFGZMolecularGraphWriter.

SDFGZMoleculeInputHandler.hpp
Definition of the class CDPL::Chem::SDFGZMoleculeInputHandler.

SDFGZMoleculeReader.hpp
Definition of the class CDPL::Chem::SDFGZMoleculeReader.

SDFMolecularGraphOutputHandler.hpp
Definition of the class CDPL::Chem::SDFMolecularGraphOutputHandler.

SDFMolecularGraphWriter.hpp
Definition of the class CDPL::Chem::SDFMolecularGraphWriter.

SDFMoleculeInputHandler.hpp
Definition of the class CDPL::Chem::SDFMoleculeInputHandler.

SDFMoleculeReader.hpp
Definition of the class CDPL::Chem::SDFMoleculeReader.

SMARTSMolecularGraphOutputHandler.hpp
Definition of the class CDPL::Chem::SMARTSMolecularGraphOutputHandler.

SMARTSMolecularGraphWriter.hpp
Definition of the class CDPL::Chem::SMARTSMolecularGraphWriter.

SMARTSMoleculeInputHandler.hpp
Definition of the class CDPL::Chem::SMARTSMoleculeInputHandler.

SMARTSMoleculeReader.hpp
Definition of the class CDPL::Chem::SMARTSMoleculeReader.

SMARTSReactionInputHandler.hpp
Definition of the class CDPL::Chem::SMARTSReactionInputHandler.

SMARTSReactionOutputHandler.hpp
Definition of the class CDPL::Chem::SMARTSReactionOutputHandler.

SMARTSReactionReader.hpp
Definition of the class CDPL::Chem::SMARTSReactionReader.

SMARTSReactionWriter.hpp
Definition of the class CDPL::Chem::SMARTSReactionWriter.

SMILESBZ2MolecularGraphOutputHandler.hpp
Definition of the class CDPL::Chem::SMILESBZ2MolecularGraphOutputHandler.

SMILESBZ2MolecularGraphWriter.hpp
Definition of the class CDPL::Chem::SMILESBZ2MolecularGraphWriter.

SMILESBZ2MoleculeInputHandler.hpp
Definition of the class CDPL::Chem::SMILESBZ2MoleculeInputHandler.

SMILESBZ2MoleculeReader.hpp
Definition of the class CDPL::Chem::SMILESBZ2MoleculeReader.

SMILESBZ2ReactionInputHandler.hpp
Definition of the class CDPL::Chem::SMILESBZ2ReactionInputHandler.

SMILESBZ2ReactionOutputHandler.hpp
Definition of the class CDPL::Chem::SMILESBZ2ReactionOutputHandler.

SMILESBZ2ReactionReader.hpp
Definition of the class CDPL::Chem::SMILESBZ2ReactionReader.

SMILESBZ2ReactionWriter.hpp
Definition of the class CDPL::Chem::SMILESBZ2ReactionWriter.

SMILESGZMolecularGraphOutputHandler.hpp
Definition of the class CDPL::Chem::SMILESGZMolecularGraphOutputHandler.

SMILESGZMolecularGraphWriter.hpp
Definition of the class CDPL::Chem::SMILESGZMolecularGraphWriter.

SMILESGZMoleculeInputHandler.hpp
Definition of the class CDPL::Chem::SMILESGZMoleculeInputHandler.

SMILESGZMoleculeReader.hpp
Definition of the class CDPL::Chem::SMILESGZMoleculeReader.

SMILESGZReactionInputHandler.hpp
Definition of the class CDPL::Chem::SMILESGZReactionInputHandler.

SMILESGZReactionOutputHandler.hpp
Definition of the class CDPL::Chem::SMILESGZReactionOutputHandler.

SMILESGZReactionReader.hpp
Definition of the class CDPL::Chem::SMILESGZReactionReader.

SMILESGZReactionWriter.hpp
Definition of the class CDPL::Chem::SMILESGZReactionWriter.

SMILESMolecularGraphOutputHandler.hpp
Definition of the class CDPL::Chem::SMILESMolecularGraphOutputHandler.

SMILESMolecularGraphWriter.hpp
Definition of the class CDPL::Chem::SMILESMolecularGraphWriter.

SMILESMoleculeInputHandler.hpp
Definition of the class CDPL::Chem::SMILESMoleculeInputHandler.

SMILESMoleculeReader.hpp
Definition of the class CDPL::Chem::SMILESMoleculeReader.

SMILESReactionInputHandler.hpp
Definition of the class CDPL::Chem::SMILESReactionInputHandler.

SMILESReactionOutputHandler.hpp
Definition of the class CDPL::Chem::SMILESReactionOutputHandler.

SMILESReactionReader.hpp
Definition of the class CDPL::Chem::SMILESReactionReader.

SMILESReactionWriter.hpp
Definition of the class CDPL::Chem::SMILESReactionWriter.

SmallestSetOfSmallestRings.hpp
Definition of the class CDPL::Chem::SmallestSetOfSmallestRings.

SpatialEntityAlignment.hpp
Definition of the class CDPL::Chem::SpatialEntityAlignment.

StereoDescriptor.hpp
Definition of the type CDPL::Chem::StereoDescriptor.

StereoisomerGenerator.hpp
Definition of the class CDPL::Chem::StereoisomerGenerator.

StringDataBlock.hpp
Definition of the class CDPL::Chem::StringDataBlockItem and the type CDPL::Chem::StringDataBlock.

SubstructureHistogramCalculator.hpp
Definition of the class CDPL::Chem::SubstructureHistogramCalculator.

SubstructureSearch.hpp
Definition of the class CDPL::Chem::SubstructureSearch.

SulfenicAcidTautomerization.hpp
Definition of the class CDPL::Chem::SulfenicAcidTautomerization.

SurfaceAtomExtractor.hpp
Definition of the class CDPL::Chem::SurfaceAtomExtractor.

SybylAtomType.hpp
Definition of constants in namespace CDPL::Chem::SybylAtomType.

SymmetryClassCalculator.hpp
Definition of the class CDPL::Chem::SymmetryClassCalculator.

TautomerGenerator.hpp
Definition of the class CDPL::Chem::TautomerGenerator.

TautomerScore.hpp
Definition of the class CDPL::Chem::TautomerScore.

TautomerizationRule.hpp
Definition of the class CDPL::Chem::TautomerizationRule.

TautomerizationType.hpp
Definition of constants in namespace CDPL::Chem::TautomerizationType.

TopologicalEntityAlignment.hpp
Definition of the class CDPL::Chem::TopologicalEntityAlignment.

XYZBZ2MolecularGraphOutputHandler.hpp
Definition of the class CDPL::Chem::XYZBZ2MolecularGraphOutputHandler.

XYZBZ2MolecularGraphWriter.hpp
Definition of the class CDPL::Chem::XYZBZ2MolecularGraphWriter.

XYZBZ2MoleculeInputHandler.hpp
Definition of the class CDPL::Chem::XYZBZ2MoleculeInputHandler.

XYZBZ2MoleculeReader.hpp
Definition of the class CDPL::Chem::XYZBZ2MoleculeReader.

XYZGZMolecularGraphOutputHandler.hpp
Definition of the class CDPL::Chem::XYZGZMolecularGraphOutputHandler.

XYZGZMolecularGraphWriter.hpp
Definition of the class CDPL::Chem::XYZGZMolecularGraphWriter.

XYZGZMoleculeInputHandler.hpp
Definition of the class CDPL::Chem::XYZGZMoleculeInputHandler.

XYZGZMoleculeReader.hpp
Definition of the class CDPL::Chem::XYZGZMoleculeReader.

XYZMolecularGraphOutputHandler.hpp
Definition of the class CDPL::Chem::XYZMolecularGraphOutputHandler.

XYZMolecularGraphWriter.hpp
Definition of the class CDPL::Chem::XYZMolecularGraphWriter.

XYZMoleculeInputHandler.hpp
Definition of the class CDPL::Chem::XYZMoleculeInputHandler.

XYZMoleculeReader.hpp
Definition of the class CDPL::Chem::XYZMoleculeReader.