Chemical Data Processing Library C++ API - Version 1.1.1
HBondDonorFeatureGenerator.hpp
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1 /*
2  * HBondDonorFeatureGenerator.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_PHARM_HBONDDONORFEATUREGENERATOR_HPP
30 #define CDPL_PHARM_HBONDDONORFEATUREGENERATOR_HPP
31 
32 #include "CDPL/Pharm/APIPrefix.hpp"
34 
35 
36 namespace CDPL
37 {
38 
39  namespace Pharm
40  {
41 
46  {
47 
48  public:
54  HBondDonorFeatureGenerator(bool static_h_bonds);
55 
64  HBondDonorFeatureGenerator(const Chem::MolecularGraph& molgraph, Pharmacophore& pharm, bool static_h_bonds);
65 
66  private:
67  void init(bool static_h_bonds);
68  };
69  } // namespace Pharm
70 } // namespace CDPL
71 
72 #endif // CDPL_PHARM_HBONDDONORFEATUREGENERATOR_HPP
APIPrefix.hpp
Definition of the preprocessor macro CDPL_PHARM_API.
CDPL_PHARM_API
#define CDPL_PHARM_API
Tells the compiler/linker which classes, functions and variables are part of the library API.
CDPL::Pharm::HBondDonorFeatureGenerator::HBondDonorFeatureGenerator
HBondDonorFeatureGenerator(const Chem::MolecularGraph &molgraph, Pharmacophore &pharm, bool static_h_bonds)
Perceives the hydrogen bond donor features of the molecular graph a\ molgraph and adds them to the ph...
CDPL::Pharm::PatternBasedFeatureGenerator
PatternBasedFeatureGenerator.
Definition: PatternBasedFeatureGenerator.hpp:58
CDPL::Chem::MolecularGraph
MolecularGraph.
Definition: MolecularGraph.hpp:52
CDPL::Pharm::Pharmacophore
Pharmacophore.
Definition: Pharmacophore.hpp:48
CDPL
The namespace of the Chemical Data Processing Library.
CDPL::Pharm::HBondDonorFeatureGenerator
HBondDonorFeatureGenerator.
Definition: HBondDonorFeatureGenerator.hpp:46
CDPL::Pharm::HBondDonorFeatureGenerator::HBondDonorFeatureGenerator
HBondDonorFeatureGenerator(bool static_h_bonds)
Constructs the HBondDonorFeatureGenerator instance.
PatternBasedFeatureGenerator.hpp
Definition of the class CDPL::Pharm::PatternBasedFeatureGenerator.