cdpl_api_doc/c%2B%2B_api_doc/ConfGen_8hpp_source.html

 /*

  * ConfGen.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_CONFGEN_HPP

 #define CDPL_CONFGEN_HPP


 #include "CDPL/ConfGen/DGConstraintGenerator.hpp"

 #include "CDPL/ConfGen/DGStructureGenerator.hpp"

 #include "CDPL/ConfGen/ConformerData.hpp"

 #include "CDPL/ConfGen/ConformerDataArray.hpp"

 #include "CDPL/ConfGen/CanonicalFragment.hpp"

 #include "CDPL/ConfGen/FragmentLibrary.hpp"

 #include "CDPL/ConfGen/FragmentLibraryEntry.hpp"

 #include "CDPL/ConfGen/TorsionRule.hpp"

 #include "CDPL/ConfGen/TorsionCategory.hpp"

 #include "CDPL/ConfGen/TorsionLibrary.hpp"

 #include "CDPL/ConfGen/TorsionRuleMatch.hpp"

 #include "CDPL/ConfGen/TorsionRuleMatcher.hpp"

 #include "CDPL/ConfGen/RMSDConformerSelector.hpp"

 #include "CDPL/ConfGen/TorsionDriver.hpp"

 #include "CDPL/ConfGen/BondFunctions.hpp"

 #include "CDPL/ConfGen/MoleculeFunctions.hpp"

 #include "CDPL/ConfGen/MolecularGraphFunctions.hpp"

 #include "CDPL/ConfGen/ControlParameterFunctions.hpp"

 #include "CDPL/ConfGen/CallbackFunction.hpp"

 #include "CDPL/ConfGen/LogMessageCallbackFunction.hpp"

 #include "CDPL/ConfGen/FragmentType.hpp"

 #include "CDPL/ConfGen/ForceFieldType.hpp"

 #include "CDPL/ConfGen/ConformerSamplingMode.hpp"

 #include "CDPL/ConfGen/StructureGenerationMode.hpp"

 #include "CDPL/ConfGen/ReturnCode.hpp"

 #include "CDPL/ConfGen/NitrogenEnumerationMode.hpp"

 #include "CDPL/ConfGen/DataFormat.hpp"

 #include "CDPL/ConfGen/ControlParameter.hpp"

 #include "CDPL/ConfGen/ControlParameterDefault.hpp"

 #include "CDPL/ConfGen/TorsionDriverSettings.hpp"

 #include "CDPL/ConfGen/DGConstraintGeneratorSettings.hpp"

 #include "CDPL/ConfGen/DGStructureGeneratorSettings.hpp"

 #include "CDPL/ConfGen/StructureGeneratorSettings.hpp"

 #include "CDPL/ConfGen/ConformerGeneratorSettings.hpp"

 #include "CDPL/ConfGen/FragmentConformerGeneratorSettings.hpp"

 #include "CDPL/ConfGen/FragmentAssemblerSettings.hpp"

 #include "CDPL/ConfGen/StructureGenerator.hpp"

 #include "CDPL/ConfGen/ConformerGenerator.hpp"

 #include "CDPL/ConfGen/FragmentConformerGenerator.hpp"

 #include "CDPL/ConfGen/FragmentLibraryGenerator.hpp"

 #include "CDPL/ConfGen/FragmentAssembler.hpp"

 #include "CDPL/ConfGen/CFLMoleculeInputHandler.hpp"

 #include "CDPL/ConfGen/CFLMoleculeReader.hpp"


 #endif // CDPL_CONFGEN_HPP

CFLMoleculeInputHandler.hpp
Definition of the class CDPL::ConfGen::CFLMoleculeInputHandler.

CFLMoleculeReader.hpp
Definition of the class CDPL::ConfGen::CFLMoleculeReader.

CallbackFunction.hpp
Type definition of a generic wrapper class for storing user-defined callback functions.

CanonicalFragment.hpp
Definition of the class CDPL::ConfGen::CanonicalFragment.

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

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

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

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

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

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

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

ConformerDataArray.hpp
Definition of the type CDPL::ConfGen::ConformerDataArray.

ConformerData.hpp
Definition of the class CDPL::ConfGen::ConformerData.

ConformerGeneratorSettings.hpp
Definition of the class CDPL::ConfGen::ConformerGeneratorSettings.

ConformerGenerator.hpp
Definition of the class CDPL::ConfGen::ConformerGenerator.

ConformerSamplingMode.hpp
Definition of constants in namespace CDPL::ConfGen::ConformerSamplingMode.

DGConstraintGeneratorSettings.hpp
Definition of the class CDPL::ConfGen::DGConstraintGeneratorSettings.

DGConstraintGenerator.hpp
Definition of the class CDPL::ConfGen::DGConstraintGenerator.

DGStructureGeneratorSettings.hpp
Definition of the class CDPL::ConfGen::DGStructureGeneratorSettings.

DGStructureGenerator.hpp
Definition of the class CDPL::ConfGen::DGStructureGenerator.

ForceFieldType.hpp
Definition of constants in namespace CDPL::ConfGen::ForceFieldType.

FragmentAssemblerSettings.hpp
Definition of the class CDPL::ConfGen::FragmentAssemblerSettings.

FragmentAssembler.hpp
Definition of the class CDPL::ConfGen::FragmentAssembler.

FragmentConformerGeneratorSettings.hpp
Definition of the class CDPL::ConfGen::FragmentConformerGeneratorSettings.

FragmentConformerGenerator.hpp
Definition of the class CDPL::ConfGen::FragmentConformerGenerator.

FragmentLibraryEntry.hpp
Definition of the class CDPL::ConfGen::FragmentLibraryEntry.

FragmentLibraryGenerator.hpp
Definition of the class CDPL::ConfGen::FragmentLibraryGenerator.

FragmentLibrary.hpp
Definition of the class CDPL::ConfGen::FragmentLibrary.

FragmentType.hpp
Definition of constants in namespace CDPL::ConfGen::FragmentType.

LogMessageCallbackFunction.hpp
Type definition of a generic wrapper class for storing user-defined log message callback functions.

NitrogenEnumerationMode.hpp
Definition of constants in namespace CDPL::Confgen::NitrogenEnumerationMode.

RMSDConformerSelector.hpp
Definition of the class CDPL::ConfGen::RMSDConformerSelector.

ReturnCode.hpp
Definition of constants in namespace CDPL::Confgen::ReturnCode.

StructureGenerationMode.hpp
Definition of constants in namespace CDPL::ConfGen::StructureGenerationMode.

StructureGeneratorSettings.hpp
Definition of the class CDPL::ConfGen::StructureGeneratorSettings.

StructureGenerator.hpp
Definition of the class CDPL::ConfGen::StructureGenerator.

TorsionCategory.hpp
Definition of the class CDPL::ConfGen::TorsionCategory.

TorsionDriverSettings.hpp
Definition of the class CDPL::ConfGen::TorsionDriverSettings.

TorsionDriver.hpp
Definition of the class CDPL::ConfGen::TorsionDriver.

TorsionLibrary.hpp
Definition of the class CDPL::ConfGen::TorsionLibrary.

TorsionRuleMatch.hpp
Definition of the class CDPL::ConfGen::TorsionRuleMatch.

TorsionRuleMatcher.hpp
Definition of the class CDPL::ConfGen::TorsionRuleMatcher.

TorsionRule.hpp
Definition of the class CDPL::ConfGen::TorsionRule.