Chemical Data Processing Library C++ API - Version 1.1.1
Descr.hpp
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1 /*
2  * Descr.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_DESCR_HPP
30 #define CDPL_DESCR_HPP
31 
32 #include "CDPL/Descr/Entity3DContainerFunctions.hpp"
33 #include "CDPL/Descr/AtomContainerFunctions.hpp"
34 #include "CDPL/Descr/MolecularGraphFunctions.hpp"
35 #include "CDPL/Descr/SimilarityFunctions.hpp"
36 #include "CDPL/Descr/AutoCorrelation2DVectorCalculator.hpp"
37 #include "CDPL/Descr/AutoCorrelation3DVectorCalculator.hpp"
38 #include "CDPL/Descr/AtomAutoCorrelation3DVectorCalculator.hpp"
39 #include "CDPL/Descr/FeatureAutoCorrelation3DVectorCalculator.hpp"
40 #include "CDPL/Descr/MoleculeAutoCorr2DDescriptorCalculator.hpp"
41 #include "CDPL/Descr/MoleculeAutoCorr3DDescriptorCalculator.hpp"
42 #include "CDPL/Descr/PharmacophoreAutoCorr3DDescriptorCalculator.hpp"
43 #include "CDPL/Descr/CircularFingerprintGenerator.hpp"
44 #include "CDPL/Descr/PathFingerprintGenerator.hpp"
45 #include "CDPL/Descr/BurdenMatrixGenerator.hpp"
46 #include "CDPL/Descr/BCUTDescriptorCalculator.hpp"
47 #include "CDPL/Descr/MolecularComplexityCalculator.hpp"
48 #include "CDPL/Descr/RDFCodeCalculator.hpp"
49 #include "CDPL/Descr/AtomRDFCodeCalculator.hpp"
50 #include "CDPL/Descr/FeatureRDFCodeCalculator.hpp"
51 #include "CDPL/Descr/MoleculeRDFDescriptorCalculator.hpp"
52 #include "CDPL/Descr/PharmacophoreRDFDescriptorCalculator.hpp"
53 
54 #endif // CDPL_DESCR_HPP
MolecularComplexityCalculator.hpp
Definition of the class CDPL::Descr::MolecularGraphComplexityCalculator.
PharmacophoreRDFDescriptorCalculator.hpp
Definition of the class CDPL::Descr::PharmacophoreRDFDescriptorCalculator.
AtomContainerFunctions.hpp
Declaration of functions that operate on Chem::AtomContainer instances.
MolecularGraphFunctions.hpp
Declaration of functions that operate on Chem::MolecularGraph instances.
BCUTDescriptorCalculator.hpp
Definition of the class CDPL::Descr::BCUTDescriptorCalculator.
RDFCodeCalculator.hpp
Definition of the class CDPL::Descr::RDFCodeCalculator.
CircularFingerprintGenerator.hpp
Definition of the class CDPL::Descr::CircularFingerprintGenerator.
PharmacophoreAutoCorr3DDescriptorCalculator.hpp
Definition of the class CDPL::Descr::PharmacophoreAutoCorr3DDescriptorCalculator.
AutoCorrelation3DVectorCalculator.hpp
Definition of the class CDPL::Descr::AutoCorrelation3DVectorCalculator.
AtomRDFCodeCalculator.hpp
Definition of the class CDPL::Descr::AtomRDFCodeCalculator.
BurdenMatrixGenerator.hpp
Definition of the class CDPL::Descr::BurdenMatrixGenerator.
FeatureRDFCodeCalculator.hpp
Definition of the class CDPL::Descr::FeatureRDFCodeCalculator.
MoleculeRDFDescriptorCalculator.hpp
Definition of the class CDPL::Descr::MoleculeRDFDescriptorCalculator.
PathFingerprintGenerator.hpp
Definition of the class CDPL::Descr::PathFingerprintGenerator.
MoleculeAutoCorr3DDescriptorCalculator.hpp
Definition of the class CDPL::Descr::MoleculeAutoCorr3DDescriptorCalculator.
MoleculeAutoCorr2DDescriptorCalculator.hpp
Definition of the class CDPL::Descr::MoleculeAutoCorr2DDescriptorCalculator.
FeatureAutoCorrelation3DVectorCalculator.hpp
Definition of the class CDPL::Descr::FeatureAutoCorrelation3DVectorCalculator.
AutoCorrelation2DVectorCalculator.hpp
Definition of the class CDPL::Descr::AutoCorrelation2DVectorCalculator.
Entity3DContainerFunctions.hpp
Declaration of functions that operate on Chem::Entity3DContainer instances.
SimilarityFunctions.hpp
Provides functions for the calculation of various similarity measures.
AtomAutoCorrelation3DVectorCalculator.hpp
Definition of the class CDPL::Descr::AtomAutoCorrelation3DVectorCalculator.
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