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

namespace oopse {

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

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

    private:
        BendType* bendType_; /**< bend type */
        Atom* atom1;
        Atom* atom2;
        Atom* atom3;
        double potential;
};    


} //end namespace oopse
#endif //PRIMITIVES_BEND_HPP

Revision:	1694
Committed:	Mon Nov 1 21:40:42 2004 UTC (19 years, 8 months ago) by tim
File size:	1722 byte(s)
Log Message:	add initial version of Bond, Bend and Torsion.
#	Content
1	/*
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	namespace oopse {
38
39	class Bend {
40	public:
41	Bend(Atom* atom1, Atom* atom2, Atom* atom3, BendType* bt);
42
43	void calcForce();
44
45	double getPotential() {
46	return potential;
47	}
48
49	private:
50	BendType* bendType_; /*< bend type /
51	Atom* atom1;
52	Atom* atom2;
53	Atom* atom3;
54	double potential;
55	};
56
57
58
59	} //end namespace oopse
60	#endif //PRIMITIVES_BEND_HPP
61