src/primitives/Torsion.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 Torsion.hpp
 * @author    tlin
 * @date  11/01/2004
 * @version 1.0
 */

#ifndef PRIMITIVES_TORSION_HPP
#define PRIMITIVES_TORSION_HPP

#include "primitives/Atom.hpp"

#include "types/TorsionType.hpp"

namespace oopse {

/**
 * @class Torsion Torsion.hpp "types/Torsion.hpp"
 */
class Torsion {
    public:
        Torsion(Atom* atom1, Atom* atom2, Atom* atom3, Atom* atom4, TorsionType* tt);

        virtual void calcForce();
        double getPotential();
        
    protected:

        Atom* atom1_;
        Atom* atom2_;
        Atom* atom3_;
        Atom* atom4_;

        TorsionType* torsionType_;

        double potential_;
};    

}
#endif //PRIMITIVES_TORSION_HPP
Revision:	1782
Committed:	Wed Nov 24 20:55:03 2004 UTC (19 years, 7 months ago) by tim
File size:	1838 byte(s)
Log Message:	types and primitives get built
#	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 Torsion.hpp
28	* @author tlin
29	* @date 11/01/2004
30	* @version 1.0
31	*/
32
33	#ifndef PRIMITIVES_TORSION_HPP
34	#define PRIMITIVES_TORSION_HPP
35
36	#include "primitives/Atom.hpp"
37
38	#include "types/TorsionType.hpp"
39
40	namespace oopse {
41
42	/**
43	* @class Torsion Torsion.hpp "types/Torsion.hpp"
44	*/
45	class Torsion {
46	public:
47	Torsion(Atom* atom1, Atom* atom2, Atom* atom3, Atom* atom4, TorsionType* tt);
48
49	virtual void calcForce();
50	double getPotential();
51
52	protected:
53
54	Atom* atom1_;
55	Atom* atom2_;
56	Atom* atom3_;
57	Atom* atom4_;
58
59	TorsionType* torsionType_;
60
61	double potential_;
62	};
63
64	}
65	#endif //PRIMITIVES_TORSION_HPP