src/types/BendType.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 BendType.hpp
 * @author    teng lin
 * @date  11/16/2004
 * @version 1.0
 */ 

#ifndef TYPES_BENDTYPE_HPP
#define TYPES_BENDTYPE_HPP

namespace oopse {
  
/**
 * @class BendType BendType.hpp "types/BendType.hpp"
 */
class BendType {
    public:
        BendType(double theta) : theta0_(theta) {}
        virtual ~BendType() {}

        virtual void calcForce(double theta, double& V, double& dVdTheta) = 0;   

        double getTheta() {
            return theta0_;
        }
        
        void setTheta(double theta) {
            theta0_ = theta;
        }

    protected:
        double theta0_;        
};

} //end namespace oopse
#endif //TYPES_BENDTYPE_HPP
Revision:	1746
Committed:	Wed Nov 17 06:37:56 2004 UTC (19 years, 8 months ago) by tim
File size:	1827 byte(s)
Log Message:	add PolynomialBondType, PolynomialBendType, PolynomialTorsionType, HarmonicBendType and CharmmTorsionType. Need to refine the design and add document for them
#	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 BendType.hpp
28	* @author teng lin
29	* @date 11/16/2004
30	* @version 1.0
31	*/
32
33	#ifndef TYPES_BENDTYPE_HPP
34	#define TYPES_BENDTYPE_HPP
35
36	namespace oopse {
37
38	/**
39	* @class BendType BendType.hpp "types/BendType.hpp"
40	*/
41	class BendType {
42	public:
43	BendType(double theta) : theta0_(theta) {}
44	virtual ~BendType() {}
45
46	virtual void calcForce(double theta, double& V, double& dVdTheta) = 0;
47
48	double getTheta() {
49	return theta0_;
50	}
51
52	void setTheta(double theta) {
53	theta0_ = theta;
54	}
55
56	protected:
57	double theta0_;
58	};
59
60	} //end namespace oopse
61	#endif //TYPES_BENDTYPE_HPP