Chemical Data Processing Library C++ API - Version 1.1.1
GRAIL.hpp
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1 /*
2  * GRAIL.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_GRAIL_HPP
30 #define CDPL_GRAIL_HPP
31 
32 #include "CDPL/GRAIL/AttributedGridProperty.hpp"
33 #include "CDPL/GRAIL/AttributedGridPropertyDefault.hpp"
34 #include "CDPL/GRAIL/FeatureType.hpp"
35 #include "CDPL/GRAIL/GeneralizedBellAtomDensity.hpp"
36 #include "CDPL/GRAIL/AtomDensityGridCalculator.hpp"
37 #include "CDPL/GRAIL/BuriednessScore.hpp"
38 #include "CDPL/GRAIL/BuriednessGridCalculator.hpp"
39 #include "CDPL/GRAIL/FeatureInteractionScoreGridCalculator.hpp"
40 #include "CDPL/GRAIL/GRAILDataSetGenerator.hpp"
41 #include "CDPL/GRAIL/GRAILDescriptorCalculator.hpp"
42 #include "CDPL/GRAIL/BindingAffinityCalculator.hpp"
43 #include "CDPL/GRAIL/AttributedGridFunctions.hpp"
44 #include "CDPL/GRAIL/FeatureFunctions.hpp"
45 #include "CDPL/GRAIL/MoleculeFunctions.hpp"
46 
47 #endif // CDPL_GRAIL_HPP
BuriednessGridCalculator.hpp
Definition of the class CDPL::GRAIL::BuriednessGridCalculator.
AttributedGridPropertyDefault.hpp
Definition of constants in namespace CDPL::GRAIL::AttributedGridPropertyDefault.
BindingAffinityCalculator.hpp
Definition of the class CDPL::GRAIL::BindingAffinityCalculator.
FeatureInteractionScoreGridCalculator.hpp
Definition of the class CDPL::GRAIL::FeatureInteractionScoreGridCalculator.
BuriednessScore.hpp
Definition of the class CDPL::GRAIL::BuriednessScore.
FeatureType.hpp
Definition of constants in namespace CDPL::GRAIL::FeatureType.
AttributedGridProperty.hpp
Definition of constants in namespace CDPL::GRAIL::AttributedGridProperty.
MoleculeFunctions.hpp
Declaration of functions that operate on Chem::Molecule instances.
AtomDensityGridCalculator.hpp
Definition of the class CDPL::GRAIL::AtomDensityGridCalculator.
AttributedGridFunctions.hpp
Declaration of functions that operate on Grid::AttributedGrid instances.
GRAILDescriptorCalculator.hpp
Definition of the class CDPL::GRAIL::GRAILDescriptorCalculator.
FeatureFunctions.hpp
Declaration of functions that operate on Pharm::Feature instances.
GeneralizedBellAtomDensity.hpp
Definition of the class CDPL::GRAIL::GeneralizedBellAtomDensity.
GRAILDataSetGenerator.hpp
Definition of the class CDPL::GRAIL::GRAILDataSetGenerator.
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