Chemical Data Processing Library C++ API - Version 1.1.1
XBondAcceptorFeatureGenerator.hpp
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1 /*
2  * XBondAcceptorFeatureGenerator.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_XBONDACCEPTORFEATUREGENERATOR_HPP
30 #define CDPL_PHARM_XBONDACCEPTORFEATUREGENERATOR_HPP
31 
32 #include "CDPL/Pharm/APIPrefix.hpp"
34 
35 
36 namespace CDPL
37 {
38 
39  namespace Pharm
40  {
41 
46  {
47 
48  public:
53 
61 
62  private:
63  void init();
64  };
65  } // namespace Pharm
66 } // namespace CDPL
67 
68 #endif // CDPL_PHARM_XBONDACCEPTORFEATUREGENERATOR_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::XBondAcceptorFeatureGenerator::XBondAcceptorFeatureGenerator
XBondAcceptorFeatureGenerator(const Chem::MolecularGraph &molgraph, Pharmacophore &pharm)
Perceives the halogen bond acceptor features of the molecular graph a\ molgraph and adds them to the ...
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::XBondAcceptorFeatureGenerator
XBondAcceptorFeatureGenerator.
Definition: XBondAcceptorFeatureGenerator.hpp:46
CDPL::Pharm::XBondAcceptorFeatureGenerator::XBondAcceptorFeatureGenerator
XBondAcceptorFeatureGenerator()
Constructs the XBondAcceptorFeatureGenerator instance.
PatternBasedFeatureGenerator.hpp
Definition of the class CDPL::Pharm::PatternBasedFeatureGenerator.