Chemical Data Processing Library C++ API - Version 1.1.1
ConfGen.hpp
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1 /*
2  * ConfGen.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_CONFGEN_HPP
30 #define CDPL_CONFGEN_HPP
31 
32 #include "CDPL/ConfGen/DGConstraintGenerator.hpp"
33 #include "CDPL/ConfGen/DGStructureGenerator.hpp"
34 #include "CDPL/ConfGen/ConformerData.hpp"
35 #include "CDPL/ConfGen/ConformerDataArray.hpp"
36 #include "CDPL/ConfGen/CanonicalFragment.hpp"
37 #include "CDPL/ConfGen/FragmentLibrary.hpp"
38 #include "CDPL/ConfGen/FragmentLibraryEntry.hpp"
39 #include "CDPL/ConfGen/TorsionRule.hpp"
40 #include "CDPL/ConfGen/TorsionCategory.hpp"
41 #include "CDPL/ConfGen/TorsionLibrary.hpp"
42 #include "CDPL/ConfGen/TorsionRuleMatch.hpp"
43 #include "CDPL/ConfGen/TorsionRuleMatcher.hpp"
44 #include "CDPL/ConfGen/RMSDConformerSelector.hpp"
45 #include "CDPL/ConfGen/TorsionDriver.hpp"
46 #include "CDPL/ConfGen/BondFunctions.hpp"
47 #include "CDPL/ConfGen/MoleculeFunctions.hpp"
48 #include "CDPL/ConfGen/MolecularGraphFunctions.hpp"
49 #include "CDPL/ConfGen/ControlParameterFunctions.hpp"
50 #include "CDPL/ConfGen/CallbackFunction.hpp"
51 #include "CDPL/ConfGen/LogMessageCallbackFunction.hpp"
52 #include "CDPL/ConfGen/FragmentType.hpp"
53 #include "CDPL/ConfGen/ForceFieldType.hpp"
54 #include "CDPL/ConfGen/ConformerSamplingMode.hpp"
55 #include "CDPL/ConfGen/StructureGenerationMode.hpp"
56 #include "CDPL/ConfGen/ReturnCode.hpp"
57 #include "CDPL/ConfGen/NitrogenEnumerationMode.hpp"
58 #include "CDPL/ConfGen/DataFormat.hpp"
59 #include "CDPL/ConfGen/ControlParameter.hpp"
60 #include "CDPL/ConfGen/ControlParameterDefault.hpp"
61 #include "CDPL/ConfGen/TorsionDriverSettings.hpp"
62 #include "CDPL/ConfGen/DGConstraintGeneratorSettings.hpp"
63 #include "CDPL/ConfGen/DGStructureGeneratorSettings.hpp"
64 #include "CDPL/ConfGen/StructureGeneratorSettings.hpp"
65 #include "CDPL/ConfGen/ConformerGeneratorSettings.hpp"
66 #include "CDPL/ConfGen/FragmentConformerGeneratorSettings.hpp"
67 #include "CDPL/ConfGen/FragmentAssemblerSettings.hpp"
68 #include "CDPL/ConfGen/StructureGenerator.hpp"
69 #include "CDPL/ConfGen/ConformerGenerator.hpp"
70 #include "CDPL/ConfGen/FragmentConformerGenerator.hpp"
71 #include "CDPL/ConfGen/FragmentLibraryGenerator.hpp"
72 #include "CDPL/ConfGen/FragmentAssembler.hpp"
73 #include "CDPL/ConfGen/CFLMoleculeInputHandler.hpp"
74 #include "CDPL/ConfGen/CFLMoleculeReader.hpp"
75 
76 #endif // CDPL_CONFGEN_HPP
DGConstraintGenerator.hpp
Definition of the class CDPL::ConfGen::DGConstraintGenerator.
CFLMoleculeReader.hpp
Definition of the class CDPL::ConfGen::CFLMoleculeReader.
FragmentAssembler.hpp
Definition of the class CDPL::ConfGen::FragmentAssembler.
ConformerGeneratorSettings.hpp
Definition of the class CDPL::ConfGen::ConformerGeneratorSettings.
StructureGeneratorSettings.hpp
Definition of the class CDPL::ConfGen::StructureGeneratorSettings.
TorsionDriverSettings.hpp
Definition of the class CDPL::ConfGen::TorsionDriverSettings.
RMSDConformerSelector.hpp
Definition of the class CDPL::ConfGen::RMSDConformerSelector.
MoleculeFunctions.hpp
Declaration of functions that operate on Chem::Molecule instances.
TorsionRule.hpp
Definition of the class CDPL::ConfGen::TorsionRule.
TorsionDriver.hpp
Definition of the class CDPL::ConfGen::TorsionDriver.
DGStructureGenerator.hpp
Definition of the class CDPL::ConfGen::DGStructureGenerator.
ForceFieldType.hpp
Definition of constants in namespace CDPL::ConfGen::ForceFieldType.
FragmentType.hpp
Definition of constants in namespace CDPL::ConfGen::FragmentType.
StructureGenerationMode.hpp
Definition of constants in namespace CDPL::ConfGen::StructureGenerationMode.
NitrogenEnumerationMode.hpp
Definition of constants in namespace CDPL::Confgen::NitrogenEnumerationMode.
ControlParameterDefault.hpp
Definition of constants in namespace CDPL::ConfGen::ControlParameterDefault.
TorsionCategory.hpp
Definition of the class CDPL::ConfGen::TorsionCategory.
ConformerDataArray.hpp
Definition of the type CDPL::ConfGen::ConformerDataArray.
DGStructureGeneratorSettings.hpp
Definition of the class CDPL::ConfGen::DGStructureGeneratorSettings.
CFLMoleculeInputHandler.hpp
Definition of the class CDPL::ConfGen::CFLMoleculeInputHandler.
MolecularGraphFunctions.hpp
Declaration of functions that operate on Chem::MolecularGraph instances.
ControlParameterFunctions.hpp
Declaration of convenience functions for control-parameter handling.
TorsionRuleMatch.hpp
Definition of the class CDPL::ConfGen::TorsionRuleMatch.
ReturnCode.hpp
Definition of constants in namespace CDPL::Confgen::ReturnCode.
CanonicalFragment.hpp
Definition of the class CDPL::ConfGen::CanonicalFragment.
ConformerGenerator.hpp
Definition of the class CDPL::ConfGen::ConformerGenerator.
TorsionRuleMatcher.hpp
Definition of the class CDPL::ConfGen::TorsionRuleMatcher.
StructureGenerator.hpp
Definition of the class CDPL::ConfGen::StructureGenerator.
DataFormat.hpp
Provides the contents of namespace CDPL::ConfGen::DataFormat.
FragmentConformerGeneratorSettings.hpp
Definition of the class CDPL::ConfGen::FragmentConformerGeneratorSettings.
FragmentConformerGenerator.hpp
Definition of the class CDPL::ConfGen::FragmentConformerGenerator.
DGConstraintGeneratorSettings.hpp
Definition of the class CDPL::ConfGen::DGConstraintGeneratorSettings.
FragmentLibraryEntry.hpp
Definition of the class CDPL::ConfGen::FragmentLibraryEntry.
ConformerData.hpp
Definition of the class CDPL::ConfGen::ConformerData.
BondFunctions.hpp
Declaration of functions that operate on Chem::Bond instances.
LogMessageCallbackFunction.hpp
Type definition of a generic wrapper class for storing user-defined log message callback functions.
TorsionLibrary.hpp
Definition of the class CDPL::ConfGen::TorsionLibrary.
ConformerSamplingMode.hpp
Definition of constants in namespace CDPL::ConfGen::ConformerSamplingMode.
FragmentAssemblerSettings.hpp
Definition of the class CDPL::ConfGen::FragmentAssemblerSettings.
FragmentLibrary.hpp
Definition of the class CDPL::ConfGen::FragmentLibrary.
CallbackFunction.hpp
Type definition of a generic wrapper class for storing user-defined callback functions.
ControlParameter.hpp
Definition of constants in namespace CDPL::ConfGen::ControlParameter.
FragmentLibraryGenerator.hpp
Definition of the class CDPL::ConfGen::FragmentLibraryGenerator.
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