src/primitives/Bend.hpp

/*
 * Copyright (C) 2000-2004  Object Oriented Parallel Simulation Engine (OOPSE) project
 * 
 * Contact: oopse@oopse.org
 * 
 * This program is free software; you can redistribute it and/or
 * modify it under the terms of the GNU Lesser General Public License
 * as published by the Free Software Foundation; either version 2.1
 * of the License, or (at your option) any later version.
 * All we ask is that proper credit is given for our work, which includes
 * - but is not limited to - adding the above copyright notice to the beginning
 * of your source code files, and to any copyright notice that you may distribute
 * with programs based on this work.
 * 
 * This program is distributed in the hope that it will be useful,
 * but WITHOUT ANY WARRANTY; without even the implied warranty of
 * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
 * GNU Lesser General Public License for more details.
 * 
 * You should have received a copy of the GNU Lesser General Public License
 * along with this program; if not, write to the Free Software
 * Foundation, Inc., 59 Temple Place - Suite 330, Boston, MA  02111-1307, USA.
 *
 */

/**
 * @file Bend.hpp
 * @author    tlin
 * @date  11/01/2004
 * @version 1.0
 */ 


#ifndef PRIMITIVES_BEND_HPP
#define PRIMITIVES_BEND_HPP

#include "types/BendType.hpp"

namespace oopse {

class Bend {
    public:
        Bend(Atom* atom1, Atom* atom2, Atom* atom3, BendType* bt);

        void calcForce();
        
        double getPotential() {
            return potential;
        }

    protected:
        virtual BendType* getBendType() {
            return bendType_;
        }
        
    private:

        BendType* bendType_; /**< bend type */
        Atom* atom1_;
        Atom* atom2_;
        Atom* atom3_;
        double potential_;
};    


} //end namespace oopse
#endif //PRIMITIVES_BEND_HPP

Revision:	1746
Committed:	Wed Nov 17 06:37:56 2004 UTC (19 years, 9 months ago) by tim
File size:	1864 byte(s)
Log Message:	add PolynomialBondType, PolynomialBendType, PolynomialTorsionType, HarmonicBendType and CharmmTorsionType. Need to refine the design and add document for them
#	User	Rev	Content
1	tim	1694	/*
2			* Copyright (C) 2000-2004 Object Oriented Parallel Simulation Engine (OOPSE) project
3			*
4			* Contact: oopse@oopse.org
5			*
6			* This program is free software; you can redistribute it and/or
7			* modify it under the terms of the GNU Lesser General Public License
8			* as published by the Free Software Foundation; either version 2.1
9			* of the License, or (at your option) any later version.
10			* All we ask is that proper credit is given for our work, which includes
11			* - but is not limited to - adding the above copyright notice to the beginning
12			* of your source code files, and to any copyright notice that you may distribute
13			* with programs based on this work.
14			*
15			* This program is distributed in the hope that it will be useful,
16			* but WITHOUT ANY WARRANTY; without even the implied warranty of
17			* MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
18			* GNU Lesser General Public License for more details.
19			*
20			* You should have received a copy of the GNU Lesser General Public License
21			* along with this program; if not, write to the Free Software
22			* Foundation, Inc., 59 Temple Place - Suite 330, Boston, MA 02111-1307, USA.
23			*
24			*/
25
26			/**
27			* @file Bend.hpp
28			* @author tlin
29			* @date 11/01/2004
30			* @version 1.0
31			*/
32
33
34			#ifndef PRIMITIVES_BEND_HPP
35			#define PRIMITIVES_BEND_HPP
36
37	tim	1695	#include "types/BendType.hpp"
38
39	tim	1694	namespace oopse {
40
41			class Bend {
42			public:
43			Bend(Atom* atom1, Atom* atom2, Atom* atom3, BendType* bt);
44
45			void calcForce();
46
47			double getPotential() {
48			return potential;
49			}
50
51	tim	1746	protected:
52			virtual BendType* getBendType() {
53			return bendType_;
54			}
55
56	tim	1694	private:
57	tim	1746
58	tim	1694	BendType* bendType_; /*< bend type /
59	tim	1742	Atom* atom1_;
60			Atom* atom2_;
61			Atom* atom3_;
62			double potential_;
63	tim	1694	};
64
65
66
67			} //end namespace oopse
68			#endif //PRIMITIVES_BEND_HPP
69