src/math/ChebyshevPolynomials.cpp

 /*
 * 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.
 */
 
#include "math/ChebyshevPolynomials.hpp"

namespace oopse {
ChebyshevPolynomials::ChebyshevPolynomials(int maxPower) : maxPower_(maxPower){

    assert(maxPower >= 0);
    GeneratePolynomials(maxPower_);
}

void ChebyshevPolynomials::GeneratePolynomials(int maxPower) {

    GenerateFirstTwoTerms();

    DoublePolynomial twoX;
    twoX.setCoefficient(1, 2.0);

    //recursive generate the high order term of Chebyshev Polynomials
    //Cn+1(x) = Cn(x) * 2x - Cn-1(x)
    for (int i = 2; i <= maxPower; ++i) {
        DoublePolynomial cn;
        
        cn = polyList_[i-1] * twoX - polyList_[i-2];
        polyList_.push_back(cn);
    }
}


void ChebyshevT::GenerateFirstTwoTerms() {
    DoublePolynomial t0;
    t0.setCoefficient(0, 1.0);
    polyList_.push_back(t0);
    
    DoublePolynomial t1;
    t1.setCoefficient(1, 1.0);
    polyList_.push_back(t1);    
}

void ChebyshevU::GenerateFirstTwoTerms() {
    DoublePolynomial u0;
    u0.setCoefficient(0, 1.0);
    polyList_.push_back(u0);
    
    DoublePolynomial u1;
    u1.setCoefficient(1, 2.0);
    polyList_.push_back(u1);   
}

} //end namespace oopse
Revision:	2146
Committed:	Tue Mar 29 21:00:54 2005 UTC (19 years, 3 months ago) by tim
File size:	3195 byte(s)
Log Message:	fix a bug in converting rotation matrix to quaternion
#	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			#include "math/ChebyshevPolynomials.hpp"
43
44			namespace oopse {
45			ChebyshevPolynomials::ChebyshevPolynomials(int maxPower) : maxPower_(maxPower){
46
47			assert(maxPower >= 0);
48			GeneratePolynomials(maxPower_);
49			}
50
51	tim	2146	void ChebyshevPolynomials::GeneratePolynomials(int maxPower) {
52	gezelter	1930
53			GenerateFirstTwoTerms();
54
55			DoublePolynomial twoX;
56			twoX.setCoefficient(1, 2.0);
57
58			//recursive generate the high order term of Chebyshev Polynomials
59			//Cn+1(x) = Cn(x) * 2x - Cn-1(x)
60			for (int i = 2; i <= maxPower; ++i) {
61			DoublePolynomial cn;
62
63			cn = polyList_[i-1] * twoX - polyList_[i-2];
64			polyList_.push_back(cn);
65			}
66			}
67
68
69	tim	2146	void ChebyshevT::GenerateFirstTwoTerms() {
70	gezelter	1930	DoublePolynomial t0;
71			t0.setCoefficient(0, 1.0);
72			polyList_.push_back(t0);
73
74			DoublePolynomial t1;
75			t1.setCoefficient(1, 1.0);
76			polyList_.push_back(t1);
77			}
78
79	tim	2146	void ChebyshevU::GenerateFirstTwoTerms() {
80	gezelter	1930	DoublePolynomial u0;
81			u0.setCoefficient(0, 1.0);
82			polyList_.push_back(u0);
83
84			DoublePolynomial u1;
85			u1.setCoefficient(1, 2.0);
86			polyList_.push_back(u1);
87			}
88
89			} //end namespace oopse