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"
 */
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:	1693
Committed:	Mon Nov 1 21:37:13 2004 UTC (19 years, 8 months ago) by tim
File size:	1699 byte(s)
Log Message:	adding BondType, BendType, TorsionType
#	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 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	*/
41	class BondType {
42	public:
43	BondType(AtomType* at1, AtomType* at2);
44	virtual ~BondType() {}
45
46	virtual void calcForce(double len, double& force, double& potential) = 0;
47
48	protected:
49	AtomType* at1_;
50	AtomType* at2_;
51
52	};
53
54
55	} //end namespace oopse
56	#endif //TYPES_BONDTYPE_HPP