src/math/Vector3.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. Redistributions of source code must retain the above copyright
 *    notice, this list of conditions and the following disclaimer.
 *
 * 2. 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.
 *
 * SUPPORT OPEN SCIENCE!  If you use OpenMD or its source code in your
 * research, please cite the appropriate papers when you publish your
 * work.  Good starting points are:
 *                                                                      
 * [1]  Meineke, et al., J. Comp. Chem. 26, 252-271 (2005).             
 * [2]  Fennell & Gezelter, J. Chem. Phys. 124, 234104 (2006).          
 * [3]  Sun, Lin & Gezelter, J. Chem. Phys. 128, 24107 (2008).          
 * [4]  Kuang & Gezelter,  J. Chem. Phys. 133, 164101 (2010).
 * [5]  Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011).
 */
 
/**
 * @file Vector3.hpp
 * @author Teng Lin
 * @date 09/14/2004
 * @version 1.0
 */
 
#ifndef MATH_VECTOR3_HPP
#define MATH_VECTOR3_HPP

#include <cassert>
#include <cmath>

#include "Vector.hpp"

namespace OpenMD {
  
  /**
   * @class Vector3 Vector3.hpp "math/Vector3.hpp"
   * @brief 
   */
  
  template<typename Real>
  class Vector3 : public Vector<Real, 3>{
  public:
    typedef Real ElemType;
    typedef Real* ElemPoinerType;
    Vector3() : Vector<Real, 3>(){}
    
    /** Constructs and initializes a Vector3 from x, y, z coordinates */
    inline Vector3( Real x, Real y, Real z) {
      this->data_[0] = x;
      this->data_[1] = y;
      this->data_[2] = z;
    }

    /** Constructs and initializes from an array*/
    inline Vector3(Real* array) : Vector<Real, 3>(array) {}
    
    inline Vector3(const Vector<Real, 3>& v) : Vector<Real, 3>(v) {}
    
    inline Vector3<Real>& operator = (const Vector<Real, 3>& v) {
      if (this == &v) { return *this; }
      Vector<Real, 3>::operator=(v);
      return *this;
    }
    
    /**
     * Retunrs reference of the first element of Vector3.
     * @return reference of the first element of Vector3
     */
    inline Real& x() {  return this->data_[0];}
    
    /**
     * Retunrs the first element of Vector3.
     * @return  the first element of Vector3
     */
    inline Real x() const {  return this->data_[0];}
    
    /**
     * Retunrs reference of the second element of Vector3.
     * @return reference of the second element of Vector3
     */
    inline Real& y() {  return this->data_[1];}
    
    /**
     * Retunrs  the second element of Vector3.
     * @return c the second element of Vector3
     */
    inline Real y() const {  return this->data_[1];}
    
    /**
     * Retunrs reference of the third element of Vector3.
     * @return reference of the third element of Vector3
     */
    inline Real& z() {  return this->data_[2];}
    
    /**
     * Retunrs  the third element of Vector3.
     * @return f the third element of Vector3
     */
    inline Real z() const {  return this->data_[2];}
    
  };
  
  /**
   * Returns the cross product of two Vectors
   * @param v1 first vector
   * @param v2 second vector
   * @return the cross product  of v1 and v2
   * @see #vector::dot
   */
  template<typename Real>
  inline Vector3<Real> cross( const Vector3<Real>& v1, const Vector3<Real>& v2 ) {
    Vector3<Real> result;
    
    result.x() = v1.y() * v2.z() - v1.z() * v2.y();
    result.y() = v1.z() * v2.x() - v1.x() * v2.z();
    result.z() = v1.x() * v2.y() - v1.y() * v2.x();
    
    return result;
  }


  /**
   * Returns the linear indexing for integer vectors. Compare to
   * Rapaport's VLinear
   *
   * @param p first vector
   * @param s second vector
   */
  template<typename Real>
  inline Real Vlinear( const Vector3<Real>& p, const Vector3<Real>& s ) {
    return (p.z() * s.y() + p.y()) * s.x() + p.x();
  }

  typedef Vector3<int> Vector3i;
  
  typedef Vector3<RealType> Vector3d;    

  const Vector3d V3Zero(0.0 , 0.0, 0.0);
  const Vector3d V3X( 1.0, 0.0, 0.0 ) ;
  const Vector3d V3Y( 0.0, 1.0, 0.0 ) ;
  const Vector3d V3Z ( 0.0, 0.0, 1.0 ) ;
 
}

#endif
Revision:	1665
Committed:	Tue Nov 22 20:38:56 2011 UTC (13 years, 5 months ago) by gezelter
File size:	5370 byte(s)
Log Message:	updated copyright notices
#	User	Rev	Content
1	gezelter	507	/*
2	gezelter	246	* Copyright (c) 2005 The University of Notre Dame. All Rights Reserved.
3	tim	70	*
4	gezelter	246	* 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	gezelter	1390	* 1. Redistributions of source code must retain the above copyright
10	gezelter	246	* notice, this list of conditions and the following disclaimer.
11			*
12	gezelter	1390	* 2. Redistributions in binary form must reproduce the above copyright
13	gezelter	246	* notice, this list of conditions and the following disclaimer in the
14			* documentation and/or other materials provided with the
15			* distribution.
16			*
17			* This software is provided "AS IS," without a warranty of any
18			* kind. All express or implied conditions, representations and
19			* warranties, including any implied warranty of merchantability,
20			* fitness for a particular purpose or non-infringement, are hereby
21			* excluded. The University of Notre Dame and its licensors shall not
22			* be liable for any damages suffered by licensee as a result of
23			* using, modifying or distributing the software or its
24			* derivatives. In no event will the University of Notre Dame or its
25			* licensors be liable for any lost revenue, profit or data, or for
26			* direct, indirect, special, consequential, incidental or punitive
27			* damages, however caused and regardless of the theory of liability,
28			* arising out of the use of or inability to use software, even if the
29			* University of Notre Dame has been advised of the possibility of
30			* such damages.
31	gezelter	1390	*
32			* SUPPORT OPEN SCIENCE! If you use OpenMD or its source code in your
33			* research, please cite the appropriate papers when you publish your
34			* work. Good starting points are:
35			*
36			* [1] Meineke, et al., J. Comp. Chem. 26, 252-271 (2005).
37			* [2] Fennell & Gezelter, J. Chem. Phys. 124, 234104 (2006).
38			* [3] Sun, Lin & Gezelter, J. Chem. Phys. 128, 24107 (2008).
39	gezelter	1665	* [4] Kuang & Gezelter, J. Chem. Phys. 133, 164101 (2010).
40			* [5] Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011).
41	tim	70	*/
42	gezelter	246
43	tim	70	/**
44			* @file Vector3.hpp
45			* @author Teng Lin
46			* @date 09/14/2004
47			* @version 1.0
48			*/
49
50			#ifndef MATH_VECTOR3_HPP
51			#define MATH_VECTOR3_HPP
52
53			#include <cassert>
54			#include <cmath>
55
56			#include "Vector.hpp"
57
58	gezelter	1390	namespace OpenMD {
59	gezelter	97
60			/**
61			* @class Vector3 Vector3.hpp "math/Vector3.hpp"
62			* @brief
63			*/
64
65			template<typename Real>
66			class Vector3 : public Vector<Real, 3>{
67			public:
68	tim	137	typedef Real ElemType;
69			typedef Real* ElemPoinerType;
70	gezelter	97	Vector3() : Vector<Real, 3>(){}
71
72			/** Constructs and initializes a Vector3 from x, y, z coordinates */
73	gezelter	246	inline Vector3( Real x, Real y, Real z) {
74	tim	385	this->data_[0] = x;
75			this->data_[1] = y;
76			this->data_[2] = z;
77	gezelter	97	}
78	tim	151
79			/** Constructs and initializes from an array*/
80	gezelter	246	inline Vector3(Real* array) : Vector<Real, 3>(array) {}
81	gezelter	97
82			inline Vector3(const Vector<Real, 3>& v) : Vector<Real, 3>(v) {}
83
84			inline Vector3<Real>& operator = (const Vector<Real, 3>& v) {
85			if (this == &v) { return *this; }
86			Vector<Real, 3>::operator=(v);
87			return *this;
88			}
89
90	tim	70	/**
91	gezelter	97	* Retunrs reference of the first element of Vector3.
92			* @return reference of the first element of Vector3
93	tim	70	*/
94	tim	385	inline Real& x() { return this->data_[0];}
95	tim	70
96			/**
97	gezelter	97	* Retunrs the first element of Vector3.
98			* @return the first element of Vector3
99	tim	70	*/
100	tim	385	inline Real x() const { return this->data_[0];}
101	gezelter	97
102			/**
103			* Retunrs reference of the second element of Vector3.
104			* @return reference of the second element of Vector3
105			*/
106	tim	385	inline Real& y() { return this->data_[1];}
107	gezelter	97
108			/**
109			* Retunrs the second element of Vector3.
110			* @return c the second element of Vector3
111			*/
112	tim	385	inline Real y() const { return this->data_[1];}
113	gezelter	97
114			/**
115			* Retunrs reference of the third element of Vector3.
116			* @return reference of the third element of Vector3
117			*/
118	tim	385	inline Real& z() { return this->data_[2];}
119	gezelter	97
120			/**
121			* Retunrs the third element of Vector3.
122			* @return f the third element of Vector3
123			*/
124	tim	385	inline Real z() const { return this->data_[2];}
125	gezelter	97
126			};
127
128			/**
129			* Returns the cross product of two Vectors
130			* @param v1 first vector
131			* @param v2 second vector
132			* @return the cross product of v1 and v2
133			* @see #vector::dot
134			*/
135			template<typename Real>
136	gezelter	1562	inline Vector3<Real> cross( const Vector3<Real>& v1, const Vector3<Real>& v2 ) {
137	gezelter	97	Vector3<Real> result;
138
139			result.x() = v1.y() * v2.z() - v1.z() * v2.y();
140			result.y() = v1.z() * v2.x() - v1.x() * v2.z();
141			result.z() = v1.x() * v2.y() - v1.y() * v2.x();
142
143			return result;
144			}
145	gezelter	246
146	gezelter	1562
147			/**
148			* Returns the linear indexing for integer vectors. Compare to
149			* Rapaport's VLinear
150			*
151			* @param p first vector
152			* @param s second vector
153			*/
154			template<typename Real>
155			inline Real Vlinear( const Vector3<Real>& p, const Vector3<Real>& s ) {
156			return (p.z() * s.y() + p.y()) * s.x() + p.x();
157			}
158
159	gezelter	246	typedef Vector3<int> Vector3i;
160
161	tim	963	typedef Vector3<RealType> Vector3d;
162	gezelter	246
163	gezelter	507	const Vector3d V3Zero(0.0 , 0.0, 0.0);
164			const Vector3d V3X( 1.0, 0.0, 0.0 ) ;
165			const Vector3d V3Y( 0.0, 1.0, 0.0 ) ;
166	gezelter	1562	const Vector3d V3Z ( 0.0, 0.0, 1.0 ) ;
167
168	tim	70	}
169
170			#endif