Chemical Data Processing Library C++ API - Version 1.1.1
DGConstraintGeneratorSettings.hpp
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1 /*
2  * DGConstraintGeneratorSettings.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_DGCONSTRAINTGENERATORSETTINGS_HPP
30 #define CDPL_CONFGEN_DGCONSTRAINTGENERATORSETTINGS_HPP
31 
33 
34 
35 namespace CDPL
36 {
37 
38  namespace ConfGen
39  {
40 
42  {
43 
44  public:
46 
48 
50 
51  void excludeHydrogens(bool exclude);
52 
53  bool excludeHydrogens() const;
54 
55  void regardAtomConfiguration(bool regard);
56 
58 
59  void regardBondConfiguration(bool regard);
60 
62 
63  private:
64  bool exclHydrogens;
65  bool atomConfig;
66  bool bondConfig;
67  };
68  } // namespace ConfGen
69 } // namespace CDPL
70 
71 #endif // CDPL_CONFGEN_DGCONSTRAINTGENERATORSETTINGS_HPP
CDPL::ConfGen::DGConstraintGeneratorSettings::excludeHydrogens
bool excludeHydrogens() const
CDPL::ConfGen::DGConstraintGeneratorSettings::regardBondConfiguration
bool regardBondConfiguration() const
CDPL::ConfGen::DGConstraintGeneratorSettings::regardAtomConfiguration
bool regardAtomConfiguration() const
CDPL::ConfGen::DGConstraintGeneratorSettings::DEFAULT
static const DGConstraintGeneratorSettings DEFAULT
Definition: DGConstraintGeneratorSettings.hpp:45
CDPL::ConfGen::DGConstraintGeneratorSettings::excludeHydrogens
void excludeHydrogens(bool exclude)
APIPrefix.hpp
Definition of the preprocessor macro CDPL_CONFGEN_API.
CDPL::ConfGen::DGConstraintGeneratorSettings::regardAtomConfiguration
void regardAtomConfiguration(bool regard)
CDPL_CONFGEN_API
#define CDPL_CONFGEN_API
Tells the compiler/linker which classes, functions and variables are part of the library API.
CDPL::ConfGen::DGConstraintGeneratorSettings::~DGConstraintGeneratorSettings
virtual ~DGConstraintGeneratorSettings()
Definition: DGConstraintGeneratorSettings.hpp:49
CDPL
The namespace of the Chemical Data Processing Library.
CDPL::ConfGen::DGConstraintGeneratorSettings::regardBondConfiguration
void regardBondConfiguration(bool regard)
CDPL::ConfGen::DGConstraintGeneratorSettings::DGConstraintGeneratorSettings
DGConstraintGeneratorSettings()
CDPL::ConfGen::DGConstraintGeneratorSettings
Definition: DGConstraintGeneratorSettings.hpp:42