Chemical Data Processing Library C++ API - Version 1.1.1
MMFF94ParameterSet.hpp
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1 /*
2  * MMFF94ParameterSet.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_FORCEFIELD_MMFF94PARAMETERSET_HPP
30 #define CDPL_FORCEFIELD_MMFF94PARAMETERSET_HPP
31 
32 
33 namespace CDPL
34 {
35 
36  namespace ForceField
37  {
38 
42  namespace MMFF94ParameterSet
43  {
44 
45  const unsigned int DYNAMIC = 0;
46  const unsigned int STATIC = 1;
47  const unsigned int STATIC_XOOP = 2;
48  const unsigned int STATIC_RTOR = 3;
49  const unsigned int STATIC_RTOR_XOOP = 4;
50  } // namespace MMFF94ParameterSet
51  } // namespace ForceField
52 } // namespace CDPL
53 
54 #endif // CDPL_FORCEFIELD_MMFF94PARAMETERSET_HPP
CDPL::ForceField::MMFF94ParameterSet::STATIC_RTOR_XOOP
const unsigned int STATIC_RTOR_XOOP
Definition: MMFF94ParameterSet.hpp:49
CDPL::ForceField::MMFF94ParameterSet::STATIC_RTOR
const unsigned int STATIC_RTOR
Definition: MMFF94ParameterSet.hpp:48
CDPL::ForceField::MMFF94ParameterSet::STATIC
const unsigned int STATIC
Definition: MMFF94ParameterSet.hpp:46
CDPL
The namespace of the Chemical Data Processing Library.
CDPL::ForceField::MMFF94ParameterSet::DYNAMIC
const unsigned int DYNAMIC
Definition: MMFF94ParameterSet.hpp:45
CDPL::ForceField::MMFF94ParameterSet::STATIC_XOOP
const unsigned int STATIC_XOOP
Definition: MMFF94ParameterSet.hpp:47