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 "primitives/Atom.hpp"
#include "types/BendType.hpp"
namespace oopse {

class Bend {
    public:
        Bend(Atom* atom1, Atom* atom2, Atom* atom3, BendType* bt)
            : atom1_(atom1), atom2_(atom2), atom3_(atom3), bendType_(bt) {}


        virtual void calcForce();
        
        double getPotential() {
            return potential_;
        }

        Atom* getAtomA() {
            return atom1_;
        }

        Atom* getAtomB() {
            return atom2_;
        }

        Atom* getAtomC() {
            return atom3_;
        }

        BendType * getBendType() {
            return bendType_;
        }

    protected:

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


} //end namespace oopse
#endif //PRIMITIVES_BEND_HPP

Revision:	1832
Committed:	Thu Dec 2 16:04:19 2004 UTC (19 years, 9 months ago) by tim
File size:	2145 byte(s)
Log Message:	still have two linking problem
#	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	tim	1782	#include "primitives/Atom.hpp"
37	tim	1695	#include "types/BendType.hpp"
38	tim	1694	namespace oopse {
39
40			class Bend {
41			public:
42	tim	1803	Bend(Atom* atom1, Atom* atom2, Atom* atom3, BendType* bt)
43			: atom1_(atom1), atom2_(atom2), atom3_(atom3), bendType_(bt) {}
44	tim	1694
45	tim	1803
46	tim	1832	virtual void calcForce();
47	tim	1694
48			double getPotential() {
49	tim	1748	return potential_;
50	tim	1694	}
51
52	tim	1803	Atom* getAtomA() {
53			return atom1_;
54			}
55
56			Atom* getAtomB() {
57			return atom2_;
58			}
59
60			Atom* getAtomC() {
61			return atom3_;
62			}
63
64			BendType * getBendType() {
65			return bendType_;
66			}
67
68	tim	1746	protected:
69
70	tim	1694	BendType* bendType_; /*< bend type /
71	tim	1742	Atom* atom1_;
72			Atom* atom2_;
73			Atom* atom3_;
74			double potential_;
75	tim	1694	};
76
77
78
79			} //end namespace oopse
80			#endif //PRIMITIVES_BEND_HPP
81