src/types/BondType.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 BondType.hpp
 * @author    tlin
 * @date  11/01/2004
 * @version 1.0
 */ 

#ifndef TYPES_BONDTYPE_HPP
#define TYPES_BONDTYPE_HPP

namespace oopse {

/**
 * @class BondType BondType.hpp "types/BondType.hpp"
 * @todo using shared_ptr instead of pointer
 */
class BondType {
    public:
        BondType(AtomType* at1, AtomType* at2);
        virtual ~BondType() {}

        virtual void calcForce(double len, double& force, double& potential) = 0;

    protected:
        AtomType* at1_;
        AtomType* at2_;
        
};    


} //end namespace oopse
#endif //TYPES_BONDTYPE_HPP    
Revision:	1742
Committed:	Tue Nov 16 20:36:18 2004 UTC (19 years, 7 months ago) by tim
File size:	1744 byte(s)
Log Message:	BondType, BendType and TorsionType
#	User	Rev	Content
1	tim	1693	/*
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 BondType.hpp
28			* @author tlin
29			* @date 11/01/2004
30			* @version 1.0
31			*/
32
33			#ifndef TYPES_BONDTYPE_HPP
34			#define TYPES_BONDTYPE_HPP
35
36			namespace oopse {
37
38			/**
39			* @class BondType BondType.hpp "types/BondType.hpp"
40	tim	1742	* @todo using shared_ptr instead of pointer
41	tim	1693	*/
42			class BondType {
43			public:
44			BondType(AtomType* at1, AtomType* at2);
45			virtual ~BondType() {}
46
47			virtual void calcForce(double len, double& force, double& potential) = 0;
48
49			protected:
50			AtomType* at1_;
51			AtomType* at2_;
52
53			};
54
55
56			} //end namespace oopse
57			#endif //TYPES_BONDTYPE_HPP