Chemical Data Processing Library C++ API - Version 1.1.1
Pharm.hpp
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1 /*
2  * Pharm.hpp
3  *
4  * This file is part of the Chemical Data Processing Toolkit
5  *
6  * Copyright (C) 2003 Thomas Seidel <thomas.seidel@univie.ac.at>
7  *
8  * This library is free software; you can redistribute it and/or
9  * modify it under the terms of the GNU Lesser General Public
10  * License as published by the Free Software Foundation; either
11  * version 2 of the License, or (at your option) any later version.
12  *
13  * This library is distributed in the hope that it will be useful,
14  * but WITHOUT ANY WARRANTY; without even the implied warranty of
15  * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
16  * Lesser General Public License for more details.
17  *
18  * You should have received a copy of the GNU Lesser General Public License
19  * along with this library; see the file COPYING. If not, write to
20  * the Free Software Foundation, Inc., 59 Temple Place - Suite 330,
21  * Boston, MA 02111-1307, USA.
22  */
23 
29 #ifndef CDPL_PHARM_HPP
30 #define CDPL_PHARM_HPP
31 
32 #include "CDPL/Pharm/Feature.hpp"
130 
131 #endif // CDPL_PHARM_HPP
FeatureDistanceScore.hpp
Definition of the class CDPL::Pharm::FeatureDistanceScore.
PSDMolecularGraphWriter.hpp
Definition of the class CDPL::Pharm::PSDMolecularGraphWriter.
FeatureMapping.hpp
Definition of the type CDPL::Pharm::FeatureMapping.
FeatureGeometryMatchFunctor.hpp
Definition of the class CDPL::Pharm::FeatureGeometryMatchFunctor.
FeatureInteractionScore.hpp
Definition of the class CDPL::Pharm::FeatureInteractionScore.
CDFGZFeatureContainerOutputHandler.hpp
Definition of the class CDPL::Pharm::CDFGZFeatureContainerOutputHandler.
FeatureFunctions.hpp
Declaration of functions that operate on Pharm::Feature instances.
Feature.hpp
Definition of the class CDPL::Pharm::Feature.
PosIonizableFeatureGenerator.hpp
Definition of the class CDPL::Pharm::PosIonizableFeatureGenerator.
ControlParameter.hpp
Definition of constants in namespace CDPL::Pharm::ControlParameter.
CDFBZ2FeatureContainerWriter.hpp
Definition of the class CDPL::Pharm::CDFBZ2FeatureContainerWriter.
OrthogonalPiPiInteractionConstraint.hpp
Definition of the class CDPL::Pharm::OrthogonalPiPiInteractionConstraint.
CDFPharmacophoreInputHandler.hpp
Definition of the class CDPL::Pharm::CDFPharmacophoreInputHandler.
CDFGZPharmacophoreReader.hpp
Definition of the class CDPL::Pharm::CDFGZPharmacophoreReader.
XBondDonorFeatureGenerator.hpp
Definition of the class CDPL::Pharm::XBondDonorFeatureGenerator.
CDFGZFeatureContainerWriter.hpp
Definition of the class CDPL::Pharm::CDFGZFeatureContainerWriter.
XBondingInteractionScore.hpp
Definition of the class CDPL::Pharm::XBondingInteractionScore.
FeatureContainer.hpp
Definition of the class CDPL::Pharm::FeatureContainer.
PharmacophoreReader.hpp
Definition of the class CDPL::Pharm::PharmacophoreReader.
ScreeningProcessor.hpp
Definition of the class CDPL::Pharm::ScreeningProcessor.
CationPiInteractionScore.hpp
Definition of the class CDPL::Pharm::CationPiInteractionScore.
OrthogonalPiPiInteractionScore.hpp
Definition of the class CDPL::Pharm::OrthogonalPiPiInteractionScore.
HBondAcceptorFeatureGenerator.hpp
Definition of the class CDPL::Pharm::HBondAcceptorFeatureGenerator.
BasicPharmacophore.hpp
Definition of the class CDPL::Pharm::BasicPharmacophore.
InteractionConstraintConnector.hpp
Definition of the class CDPL::Pharm::InteractionConstraintConnector.
ControlParameterDefault.hpp
Definition of constants in namespace CDPL::Pharm::ControlParameterDefault.
AromaticFeatureGenerator.hpp
Definition of the class CDPL::Pharm::AromaticFeatureGenerator.
XBondingInteractionConstraint.hpp
Definition of the class CDPL::Pharm::XBondingInteractionConstraint.
FeatureProperty.hpp
Definition of constants in namespace CDPL::Pharm::FeatureProperty.
FileScreeningHitCollector.hpp
Definition of the class CDPL::Pharm::FileScreeningHitCollector.
ScreeningDBCreator.hpp
Definition of the class CDPL::Pharm::ScreeningDBCreator.
HydrophobicInteractionScore.hpp
Definition of the class CDPL::Pharm::HydrophobicInteractionScore.
CDFGZPharmacophoreInputHandler.hpp
Definition of the class CDPL::Pharm::CDFGZPharmacophoreInputHandler.
MoleculeFunctions.hpp
Declaration of functions that operate on Chem::Molecule instances.
FeatureGeometry.hpp
Definition of constants in namespace CDPL::Pharm::FeatureGeometry.
PharmacophoreFitScreeningScore.hpp
Definition of the class CDPL::Pharm::PharmacophoreFitScreeningScore.
HydrophobicAtomFeatureGenerator.hpp
Definition of the class CDPL::Pharm::HydrophobicAtomFeatureGenerator.
IonicInteractionConstraint.hpp
Definition of the class CDPL::Pharm::IonicInteractionConstraint.
CDFFeatureContainerOutputHandler.hpp
Definition of the class CDPL::Pharm::CDFFeatureContainerOutputHandler.
ParallelPiPiInteractionScore.hpp
Definition of the class CDPL::Pharm::ParallelPiPiInteractionScore.
FeatureSetFunctions.hpp
Declaration of functions that operate on Pharm::FeatureSet instances.
PSDMoleculeInputHandler.hpp
Definition of the class CDPL::Pharm::PSDMoleculeInputHandler.
PMLPharmacophoreInputHandler.hpp
Definition of the class CDPL::Pharm::PMLPharmacophoreInputHandler.
FeatureContainerFunctions.hpp
Declaration of functions that operate on Pharm::FeatureContainer instances.
PharmacophoreGenerator.hpp
Definition of the class CDPL::Pharm::PharmacophoreGenerator.
IonicInteractionScore.hpp
Definition of the class CDPL::Pharm::IonicInteractionScore.
PSDScreeningDBAccessor.hpp
Definition of the class CDPL::Pharm::PSDScreeningDBAccessor.
PharmacophoreFunctions.hpp
Declaration of functions that operate on Pharm::Pharmacophore instances.
HBondingInteractionConstraint.hpp
Definition of the class CDPL::Pharm::HBondingInteractionConstraint.
PSDMolecularGraphOutputHandler.hpp
Definition of the class CDPL::Pharm::PSDMolecularGraphOutputHandler.
InteractionPharmacophoreGenerator.hpp
Definition of the class CDPL::Pharm::InteractionPharmacophoreGenerator.
PMLFeatureContainerWriter.hpp
Definition of the class CDPL::Pharm::PMLFeatureContainerWriter.
PSDPharmacophoreInputHandler.hpp
Definition of the class CDPL::Pharm::PSDPharmacophoreInputHandler.
NegIonizableFeatureGenerator.hpp
Definition of the class CDPL::Pharm::NegIonizableFeatureGenerator.
FeatureTypeHistogram.hpp
Definition of the type CDPL::Pharm::FeatureTypeHistogram.
FeatureInteractionScoreCombiner.hpp
Definition of the class CDPL::Pharm::FeatureInteractionScoreCombiner.
DefaultInteractionAnalyzer.hpp
Definition of the class CDPL::Pharm::DefaultInteractionAnalyzer.
CDFFeatureContainerWriter.hpp
Definition of the class CDPL::Pharm::CDFFeatureContainerWriter.
CationPiInteractionConstraint.hpp
Definition of the class CDPL::Pharm::CationPiInteractionConstraint.
CDFBZ2FeatureContainerOutputHandler.hpp
Definition of the class CDPL::Pharm::CDFBZ2FeatureContainerOutputHandler.
XBondAcceptorFeatureGenerator.hpp
Definition of the class CDPL::Pharm::XBondAcceptorFeatureGenerator.
ControlParameterFunctions.hpp
Declaration of convenience functions for control-parameter handling.
CDFBZ2PharmacophoreInputHandler.hpp
Definition of the class CDPL::Pharm::CDFBZ2PharmacophoreInputHandler.
DefaultPharmacophoreGenerator.hpp
Definition of the class CDPL::Pharm::DefaultPharmacophoreGenerator.
PMLFeatureContainerOutputHandler.hpp
Definition of the class CDPL::Pharm::PMLFeatureContainerOutputHandler.
PMLPharmacophoreReader.hpp
Definition of the class CDPL::Pharm::PMLPharmacophoreReader.
FeatureSet.hpp
Definition of the class CDPL::Pharm::FeatureSet.
PSDPharmacophoreReader.hpp
Definition of the class CDPL::Pharm::PSDPharmacophoreReader.
PharmacophoreFitScore.hpp
Definition of the class CDPL::Pharm::PharmacophoreFitScore.
InteractionAnalyzer.hpp
Definition of the class CDPL::Pharm::InteractionAnalyzer.
PSDScreeningDBCreator.hpp
Definition of the class CDPL::Pharm::PSDScreeningDBCreator.
Pharmacophore.hpp
Definition of the class CDPL::Pharm::Pharmacophore.
FeaturePairDistanceMatchFunctor.hpp
Definition of the class CDPL::Pharm::FeaturePairDistanceMatchFunctor.
HydrophobicFeatureGenerator.hpp
Definition of the class CDPL::Pharm::HydrophobicFeatureGenerator.
FeatureTypeMatchFunctor.hpp
Definition of the class CDPL::Pharm::FeatureTypeMatchFunctor.
HydrophobicInteractionConstraint.hpp
Definition of the class CDPL::Pharm::HydrophobicInteractionConstraint.
PatternBasedFeatureGenerator.hpp
Definition of the class CDPL::Pharm::PatternBasedFeatureGenerator.
BasicFeature.hpp
Definition of the class CDPL::Pharm::BasicFeature.
FeatureContainerPropertyDefault.hpp
Definition of constants in namespace CDPL::Pharm::FeatureContainerPropertyDefault.
FeatureContainerWriter.hpp
Definition of the class CDPL::Pharm::FeatureContainerWriter.
PharmacophoreAlignment.hpp
Definition of the class CDPL::Pharm::PharmacophoreAlignment.
FeatureDistanceConstraint.hpp
Definition of the class CDPL::Pharm::FeatureDistanceConstraint.
ScreeningDBAccessor.hpp
Definition of the class CDPL::Pharm::ScreeningDBAccessor.
FeatureContainerProperty.hpp
Definition of constants in namespace CDPL::Pharm::FeatureContainerProperty.
FeatureGenerator.hpp
Definition of the class CDPL::Pharm::FeatureGenerator.
CDFBZ2PharmacophoreReader.hpp
Definition of the class CDPL::Pharm::CDFBZ2PharmacophoreReader.
FeaturePositionMatchFunctor.hpp
Definition of the class CDPL::Pharm::FeaturePositionMatchFunctor.
DataFormat.hpp
Provides the contents of namespace CDPL::Pharm::DataFormat.
PSDMoleculeReader.hpp
Definition of the class CDPL::Pharm::PSDMoleculeReader.
UtilityFunctions.hpp
Declaration of miscellaneous utility functions.
HBondDonorFeatureGenerator.hpp
Definition of the class CDPL::Pharm::HBondDonorFeatureGenerator.
CDFPharmacophoreReader.hpp
Definition of the class CDPL::Pharm::CDFPharmacophoreReader.
FeatureType.hpp
Definition of constants in namespace CDPL::Pharm::FeatureType.
SpatialFeatureMapping.hpp
Definition of the class CDPL::Pharm::SpatialFeatureMapping.
Feature3DCoordinatesFunction.hpp
Type definition of a generic wrapper class for storing user-defined Pharm::Feature 3D-coordinates fun...
HBondingInteractionScore.hpp
Definition of the class CDPL::Pharm::HBondingInteractionScore.
FeaturePropertyDefault.hpp
Definition of constants in namespace CDPL::Pharm::FeaturePropertyDefault.
ParallelPiPiInteractionConstraint.hpp
Definition of the class CDPL::Pharm::ParallelPiPiInteractionConstraint.