src/constraints/ConstraintPair.hpp

 /*
 * Copyright (c) 2005 The University of Notre Dame. All Rights Reserved.
 *
 * The University of Notre Dame grants you ("Licensee") a
 * non-exclusive, royalty free, license to use, modify and
 * redistribute this software in source and binary code form, provided
 * that the following conditions are met:
 *
 * 1. Acknowledgement of the program authors must be made in any
 *    publication of scientific results based in part on use of the
 *    program.  An acceptable form of acknowledgement is citation of
 *    the article in which the program was described (Matthew
 *    A. Meineke, Charles F. Vardeman II, Teng Lin, Christopher
 *    J. Fennell and J. Daniel Gezelter, "OOPSE: An Object-Oriented
 *    Parallel Simulation Engine for Molecular Dynamics,"
 *    J. Comput. Chem. 26, pp. 252-271 (2005))
 *
 * 2. Redistributions of source code must retain the above copyright
 *    notice, this list of conditions and the following disclaimer.
 *
 * 3. Redistributions in binary form must reproduce the above copyright
 *    notice, this list of conditions and the following disclaimer in the
 *    documentation and/or other materials provided with the
 *    distribution.
 *
 * This software is provided "AS IS," without a warranty of any
 * kind. All express or implied conditions, representations and
 * warranties, including any implied warranty of merchantability,
 * fitness for a particular purpose or non-infringement, are hereby
 * excluded.  The University of Notre Dame and its licensors shall not
 * be liable for any damages suffered by licensee as a result of
 * using, modifying or distributing the software or its
 * derivatives. In no event will the University of Notre Dame or its
 * licensors be liable for any lost revenue, profit or data, or for
 * direct, indirect, special, consequential, incidental or punitive
 * damages, however caused and regardless of the theory of liability,
 * arising out of the use of or inability to use software, even if the
 * University of Notre Dame has been advised of the possibility of
 * such damages.
 */
 

#ifndef CONSTRAINTS_CONTRAINTPAIR_HPP
#define CONSTRAINTS_CONTRAINTPAIR_HPP

#include "primitives/StuntDouble.hpp"
#include "constraints/ConstraintElem.hpp"
namespace oopse {


/**
 * @class ConstraintPair
 * @todo document
 */
class ConstraintPair {

    public:

        ConstraintPair(ConstraintElem* elem1, ConstraintElem* elem2, double len) 
            : consElem1_(elem1), consElem2_(elem2), dist2(len*len) { }

        ~ConstraintPair() {
            delete consElem1_;
            delete consElem2_;
        }
        /** Return the first constraint elemet */
        ConstraintElem* getConsElem1() {return consElem1_;}

        /** Retunr the second constraint element */
        ConstraintElem* getConsElem2() {return consElem2_;}

        bool isMoved() { return consElem1_->getMoved() || consElem2_->getMoved(); }        
        double getConsDistSquare() {return dist2;}

    private:
        
        ConstraintElem* consElem1_;
        ConstraintElem* consElem2_;        
        double dist2;
};

}

#endif 
Revision:	1930
Committed:	Wed Jan 12 22:41:40 2005 UTC (19 years, 5 months ago) by gezelter
File size:	3104 byte(s)
Log Message:	merging new_design branch into OOPSE-2.0
#	User	Rev	Content
1	gezelter	1930	/*
2			* Copyright (c) 2005 The University of Notre Dame. All Rights Reserved.
3			*
4			* The University of Notre Dame grants you ("Licensee") a
5			* non-exclusive, royalty free, license to use, modify and
6			* redistribute this software in source and binary code form, provided
7			* that the following conditions are met:
8			*
9			* 1. Acknowledgement of the program authors must be made in any
10			* publication of scientific results based in part on use of the
11			* program. An acceptable form of acknowledgement is citation of
12			* the article in which the program was described (Matthew
13			* A. Meineke, Charles F. Vardeman II, Teng Lin, Christopher
14			* J. Fennell and J. Daniel Gezelter, "OOPSE: An Object-Oriented
15			* Parallel Simulation Engine for Molecular Dynamics,"
16			* J. Comput. Chem. 26, pp. 252-271 (2005))
17			*
18			* 2. Redistributions of source code must retain the above copyright
19			* notice, this list of conditions and the following disclaimer.
20			*
21			* 3. Redistributions in binary form must reproduce the above copyright
22			* notice, this list of conditions and the following disclaimer in the
23			* documentation and/or other materials provided with the
24			* distribution.
25			*
26			* This software is provided "AS IS," without a warranty of any
27			* kind. All express or implied conditions, representations and
28			* warranties, including any implied warranty of merchantability,
29			* fitness for a particular purpose or non-infringement, are hereby
30			* excluded. The University of Notre Dame and its licensors shall not
31			* be liable for any damages suffered by licensee as a result of
32			* using, modifying or distributing the software or its
33			* derivatives. In no event will the University of Notre Dame or its
34			* licensors be liable for any lost revenue, profit or data, or for
35			* direct, indirect, special, consequential, incidental or punitive
36			* damages, however caused and regardless of the theory of liability,
37			* arising out of the use of or inability to use software, even if the
38			* University of Notre Dame has been advised of the possibility of
39			* such damages.
40			*/
41
42
43			#ifndef CONSTRAINTS_CONTRAINTPAIR_HPP
44			#define CONSTRAINTS_CONTRAINTPAIR_HPP
45
46			#include "primitives/StuntDouble.hpp"
47			#include "constraints/ConstraintElem.hpp"
48			namespace oopse {
49
50
51			/**
52			* @class ConstraintPair
53			* @todo document
54			*/
55			class ConstraintPair {
56
57			public:
58
59			ConstraintPair(ConstraintElem* elem1, ConstraintElem* elem2, double len)
60			: consElem1_(elem1), consElem2_(elem2), dist2(len*len) { }
61
62			~ConstraintPair() {
63			delete consElem1_;
64			delete consElem2_;
65			}
66			/** Return the first constraint elemet */
67			ConstraintElem* getConsElem1() {return consElem1_;}
68
69			/** Retunr the second constraint element */
70			ConstraintElem* getConsElem2() {return consElem2_;}
71
72			bool isMoved() { return consElem1_->getMoved() \|\| consElem2_->getMoved(); }
73			double getConsDistSquare() {return dist2;}
74
75			private:
76
77			ConstraintElem* consElem1_;
78			ConstraintElem* consElem2_;
79			double dist2;
80			};
81
82			}
83
84			#endif