Chemical Data Processing Library C++ API - Version 1.1.1
InteractionType.hpp
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1 /*
2  * InteractionType.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_INTERACTIONTYPE_HPP
30 #define CDPL_FORCEFIELD_INTERACTIONTYPE_HPP
31 
32 
33 namespace CDPL
34 {
35 
36  namespace ForceField
37  {
38 
42  namespace InteractionType
43  {
44 
45  const unsigned int NONE = 0x00;
46  const unsigned int BOND_STRETCHING = 0x01;
47  const unsigned int ANGLE_BENDING = 0x02;
48  const unsigned int STRETCH_BEND = 0x04;
49  const unsigned int OUT_OF_PLANE_BENDING = 0x08;
50  const unsigned int TORSION = 0x10;
51  const unsigned int VAN_DER_WAALS = 0x20;
52  const unsigned int ELECTROSTATIC = 0x40;
53  const unsigned int ALL = 0x7f;
54  } // namespace InteractionType
55  } // namespace ForceField
56 } // namespace CDPL
57 
58 #endif // CDPL_FORCEFIELD_INTERACTIONTYPE_HPP
CDPL::ForceField::InteractionType::NONE
const unsigned int NONE
Definition: InteractionType.hpp:45
CDPL::ForceField::InteractionType::ALL
const unsigned int ALL
Definition: InteractionType.hpp:53
CDPL::ForceField::InteractionType::TORSION
const unsigned int TORSION
Definition: InteractionType.hpp:50
CDPL::ForceField::InteractionType::BOND_STRETCHING
const unsigned int BOND_STRETCHING
Definition: InteractionType.hpp:46
CDPL::ForceField::InteractionType::ANGLE_BENDING
const unsigned int ANGLE_BENDING
Definition: InteractionType.hpp:47
CDPL::ForceField::InteractionType::VAN_DER_WAALS
const unsigned int VAN_DER_WAALS
Definition: InteractionType.hpp:51
CDPL::ForceField::InteractionType::ELECTROSTATIC
const unsigned int ELECTROSTATIC
Definition: InteractionType.hpp:52
CDPL
The namespace of the Chemical Data Processing Library.
CDPL::ForceField::InteractionType::STRETCH_BEND
const unsigned int STRETCH_BEND
Definition: InteractionType.hpp:48
CDPL::ForceField::InteractionType::OUT_OF_PLANE_BENDING
const unsigned int OUT_OF_PLANE_BENDING
Definition: InteractionType.hpp:49