cdpl_api_doc/c%2B%2B_api_doc/GRAIL_8hpp_source.html

 /*

  * GRAIL.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_GRAIL_HPP

 #define CDPL_GRAIL_HPP


 #include "CDPL/GRAIL/AttributedGridProperty.hpp"

 #include "CDPL/GRAIL/AttributedGridPropertyDefault.hpp"

 #include "CDPL/GRAIL/FeatureType.hpp"

 #include "CDPL/GRAIL/GeneralizedBellAtomDensity.hpp"

 #include "CDPL/GRAIL/AtomDensityGridCalculator.hpp"

 #include "CDPL/GRAIL/BuriednessScore.hpp"

 #include "CDPL/GRAIL/BuriednessGridCalculator.hpp"

 #include "CDPL/GRAIL/FeatureInteractionScoreGridCalculator.hpp"

 #include "CDPL/GRAIL/GRAILDataSetGenerator.hpp"

 #include "CDPL/GRAIL/GRAILDescriptorCalculator.hpp"

 #include "CDPL/GRAIL/BindingAffinityCalculator.hpp"

 #include "CDPL/GRAIL/AttributedGridFunctions.hpp"

 #include "CDPL/GRAIL/FeatureFunctions.hpp"

 #include "CDPL/GRAIL/MoleculeFunctions.hpp"


 #endif // CDPL_GRAIL_HPP

AtomDensityGridCalculator.hpp
Definition of the class CDPL::GRAIL::AtomDensityGridCalculator.

BindingAffinityCalculator.hpp
Definition of the class CDPL::GRAIL::BindingAffinityCalculator.

BuriednessGridCalculator.hpp
Definition of the class CDPL::GRAIL::BuriednessGridCalculator.

BuriednessScore.hpp
Definition of the class CDPL::GRAIL::BuriednessScore.

FeatureInteractionScoreGridCalculator.hpp
Definition of the class CDPL::GRAIL::FeatureInteractionScoreGridCalculator.

GRAILDataSetGenerator.hpp
Definition of the class CDPL::GRAIL::GRAILDataSetGenerator.

GRAILDescriptorCalculator.hpp
Definition of the class CDPL::GRAIL::GRAILDescriptorCalculator.

AttributedGridFunctions.hpp
Declaration of functions that operate on Grid::AttributedGrid instances.

AttributedGridPropertyDefault.hpp
Definition of constants in namespace CDPL::GRAIL::AttributedGridPropertyDefault.

AttributedGridProperty.hpp
Definition of constants in namespace CDPL::GRAIL::AttributedGridProperty.

FeatureFunctions.hpp
Declaration of functions that operate on Pharm::Feature instances.

FeatureType.hpp
Definition of constants in namespace CDPL::GRAIL::FeatureType.

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

GeneralizedBellAtomDensity.hpp
Definition of the class CDPL::GRAIL::GeneralizedBellAtomDensity.