src/math/ChebyshevU.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.
 */
 
/**
 * @file ChebyshevU.hpp
 * @author    teng lin
 * @date  11/16/2004
 * @version 1.0
 */ 

#ifndef MATH_CHEBYSHEVU_HPP
#define MATH_CHEBYSHEVU_HPP

#include <vector>
#include <cassert>

#include "math/Polynomial.hpp"

namespace oopse {

  /**
   * @class ChebyshevU
   * A collection of Chebyshev Polynomials.
   * @todo document
   */
  class ChebyshevU {
  public:
    ChebyshevU(int maxPower);
    virtual ~ChebyshevU() {}
    /**
     * Calculates the value of the nth Chebyshev Polynomial evaluated at the given x value.
     * @return The value of the nth Chebyshev Polynomial evaluates at the given x value
     * @param n
     * @param x the value of the independent variable for the nth Chebyshev Polynomial  function
     */
        
    RealType evaluate(int n, RealType x) {
      assert (n <= maxPower_ && n >=0); 
      return polyList_[n].evaluate(x);
    }

    /**
     * Returns the first derivative of the nth Chebyshev Polynomial.
     * @return the first derivative of the nth Chebyshev Polynomial
     * @param n
     * @param x the value of the independent variable for the nth Chebyshev Polynomial  function
     */
    RealType evaluateDerivative(int n, RealType x) {
      assert (n <= maxPower_ && n >=0); 
      return polyList_[n].evaluateDerivative(x);        
    }

    /**
     * Returns the nth Chebyshev Polynomial 
     * @return the nth Chebyshev Polynomial
     * @param n
     */
    const DoublePolynomial& getChebyshevPolynomial(int n) const {
      assert (n <= maxPower_ && n >=0); 
      return polyList_[n];
    }

  protected:

    std::vector<DoublePolynomial> polyList_;
    void GeneratePolynomials(int maxPower);
                
  private:
        
    void GenerateFirstTwoTerms();
        
    int maxPower_;
  };    

} //end namespace oopse
#endif //MATH_CHEBYSHEVU_HPP
Revision:	1196
Committed:	Thu Dec 6 20:26:20 2007 UTC (17 years, 10 months ago) by cpuglis
File size:	3904 byte(s)
Log Message:	* empty log message *
#	Content
1	/*
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	* @file ChebyshevU.hpp
44	* @author teng lin
45	* @date 11/16/2004
46	* @version 1.0
47	*/
48
49	#ifndef MATH_CHEBYSHEVU_HPP
50	#define MATH_CHEBYSHEVU_HPP
51
52	#include <vector>
53	#include <cassert>
54
55	#include "math/Polynomial.hpp"
56
57	namespace oopse {
58
59	/**
60	* @class ChebyshevU
61	* A collection of Chebyshev Polynomials.
62	* @todo document
63	*/
64	class ChebyshevU {
65	public:
66	ChebyshevU(int maxPower);
67	virtual ~ChebyshevU() {}
68	/**
69	* Calculates the value of the nth Chebyshev Polynomial evaluated at the given x value.
70	* @return The value of the nth Chebyshev Polynomial evaluates at the given x value
71	* @param n
72	* @param x the value of the independent variable for the nth Chebyshev Polynomial function
73	*/
74
75	RealType evaluate(int n, RealType x) {
76	assert (n <= maxPower_ && n >=0);
77	return polyList_[n].evaluate(x);
78	}
79
80	/**
81	* Returns the first derivative of the nth Chebyshev Polynomial.
82	* @return the first derivative of the nth Chebyshev Polynomial
83	* @param n
84	* @param x the value of the independent variable for the nth Chebyshev Polynomial function
85	*/
86	RealType evaluateDerivative(int n, RealType x) {
87	assert (n <= maxPower_ && n >=0);
88	return polyList_[n].evaluateDerivative(x);
89	}
90
91	/**
92	* Returns the nth Chebyshev Polynomial
93	* @return the nth Chebyshev Polynomial
94	* @param n
95	*/
96	const DoublePolynomial& getChebyshevPolynomial(int n) const {
97	assert (n <= maxPower_ && n >=0);
98	return polyList_[n];
99	}
100
101	protected:
102
103	std::vector<DoublePolynomial> polyList_;
104	void GeneratePolynomials(int maxPower);
105
106	private:
107
108	void GenerateFirstTwoTerms();
109
110	int maxPower_;
111	};
112
113	} //end namespace oopse
114	#endif //MATH_CHEBYSHEVU_HPP