| 1 | gezelter | 246 | /* | 
| 2 |  |  | * 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 |  |  | * 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 | tim | 70 | */ | 
| 41 | gezelter | 246 |  | 
| 42 | tim | 70 | /** | 
| 43 |  |  | * @file Vector3.hpp | 
| 44 |  |  | * @author Teng Lin | 
| 45 |  |  | * @date 09/14/2004 | 
| 46 |  |  | * @version 1.0 | 
| 47 |  |  | */ | 
| 48 |  |  |  | 
| 49 |  |  | #ifndef MATH_VECTOR3_HPP | 
| 50 |  |  | #define MATH_VECTOR3_HPP | 
| 51 |  |  |  | 
| 52 |  |  | #include <cassert> | 
| 53 |  |  | #include <cmath> | 
| 54 |  |  |  | 
| 55 |  |  | #include "Vector.hpp" | 
| 56 |  |  |  | 
| 57 |  |  | namespace oopse { | 
| 58 | gezelter | 97 |  | 
| 59 |  |  | /** | 
| 60 |  |  | * @class Vector3 Vector3.hpp "math/Vector3.hpp" | 
| 61 |  |  | * @brief | 
| 62 |  |  | */ | 
| 63 |  |  |  | 
| 64 |  |  | template<typename Real> | 
| 65 |  |  | class Vector3 : public Vector<Real, 3>{ | 
| 66 |  |  | public: | 
| 67 | tim | 137 | typedef Real ElemType; | 
| 68 |  |  | typedef Real* ElemPoinerType; | 
| 69 | gezelter | 97 | Vector3() : Vector<Real, 3>(){} | 
| 70 |  |  |  | 
| 71 |  |  | /** Constructs and initializes a Vector3 from x, y, z coordinates */ | 
| 72 | gezelter | 246 | inline Vector3( Real x, Real y, Real z) { | 
| 73 | tim | 385 | this->data_[0] = x; | 
| 74 |  |  | this->data_[1] = y; | 
| 75 |  |  | this->data_[2] = z; | 
| 76 | gezelter | 97 | } | 
| 77 | tim | 151 |  | 
| 78 |  |  | /** Constructs and initializes from an array*/ | 
| 79 | gezelter | 246 | inline Vector3(Real* array) : Vector<Real, 3>(array) {} | 
| 80 | gezelter | 97 |  | 
| 81 |  |  | inline Vector3(const Vector<Real, 3>& v) : Vector<Real, 3>(v) {} | 
| 82 |  |  |  | 
| 83 |  |  | inline Vector3<Real>& operator = (const Vector<Real, 3>& v) { | 
| 84 |  |  | if (this == &v) { return *this; } | 
| 85 |  |  | Vector<Real, 3>::operator=(v); | 
| 86 |  |  | return *this; | 
| 87 |  |  | } | 
| 88 |  |  |  | 
| 89 | tim | 70 | /** | 
| 90 | gezelter | 97 | * Retunrs reference of the first element of Vector3. | 
| 91 |  |  | * @return reference of the first element of Vector3 | 
| 92 | tim | 70 | */ | 
| 93 | tim | 385 | inline Real& x() {  return this->data_[0];} | 
| 94 | tim | 70 |  | 
| 95 |  |  | /** | 
| 96 | gezelter | 97 | * Retunrs the first element of Vector3. | 
| 97 |  |  | * @return  the first element of Vector3 | 
| 98 | tim | 70 | */ | 
| 99 | tim | 385 | inline Real x() const {  return this->data_[0];} | 
| 100 | gezelter | 97 |  | 
| 101 |  |  | /** | 
| 102 |  |  | * Retunrs reference of the second element of Vector3. | 
| 103 |  |  | * @return reference of the second element of Vector3 | 
| 104 |  |  | */ | 
| 105 | tim | 385 | inline Real& y() {  return this->data_[1];} | 
| 106 | gezelter | 97 |  | 
| 107 |  |  | /** | 
| 108 |  |  | * Retunrs  the second element of Vector3. | 
| 109 |  |  | * @return c the second element of Vector3 | 
| 110 |  |  | */ | 
| 111 | tim | 385 | inline Real y() const {  return this->data_[1];} | 
| 112 | gezelter | 97 |  | 
| 113 |  |  | /** | 
| 114 |  |  | * Retunrs reference of the third element of Vector3. | 
| 115 |  |  | * @return reference of the third element of Vector3 | 
| 116 |  |  | */ | 
| 117 | tim | 385 | inline Real& z() {  return this->data_[2];} | 
| 118 | gezelter | 97 |  | 
| 119 |  |  | /** | 
| 120 |  |  | * Retunrs  the third element of Vector3. | 
| 121 |  |  | * @return f the third element of Vector3 | 
| 122 |  |  | */ | 
| 123 | tim | 385 | inline Real z() const {  return this->data_[2];} | 
| 124 | gezelter | 97 |  | 
| 125 |  |  | }; | 
| 126 |  |  |  | 
| 127 |  |  | /** | 
| 128 |  |  | * Returns the cross product of two Vectors | 
| 129 |  |  | * @param v1 first vector | 
| 130 |  |  | * @param v2 second vector | 
| 131 |  |  | * @return the cross product  of v1 and v2 | 
| 132 |  |  | * @see #vector::dot | 
| 133 |  |  | */ | 
| 134 |  |  | template<typename Real> | 
| 135 |  |  | Vector3<Real> cross( const Vector3<Real>& v1, const Vector3<Real>& v2 ) { | 
| 136 |  |  | Vector3<Real> result; | 
| 137 |  |  |  | 
| 138 |  |  | result.x() = v1.y() * v2.z() - v1.z() * v2.y(); | 
| 139 |  |  | result.y() = v1.z() * v2.x() - v1.x() * v2.z(); | 
| 140 |  |  | result.z() = v1.x() * v2.y() - v1.y() * v2.x(); | 
| 141 |  |  |  | 
| 142 |  |  | return result; | 
| 143 |  |  | } | 
| 144 | gezelter | 246 |  | 
| 145 |  |  | typedef Vector3<int> Vector3i; | 
| 146 |  |  |  | 
| 147 | tim | 99 | typedef Vector3<double> Vector3d; | 
| 148 | gezelter | 246 |  | 
| 149 |  |  | const Vector3d V3Zero(0.0 , 0.0, 0.0); | 
| 150 |  |  | const Vector3d V3X( 1.0, 0.0, 0.0 ) ; | 
| 151 |  |  | const Vector3d V3Y( 0.0, 1.0, 0.0 ) ; | 
| 152 |  |  | const Vector3d V3Z ( 0.0, 0.0, 1.0 ) ; | 
| 153 | gezelter | 97 |  | 
| 154 | tim | 70 | } | 
| 155 |  |  |  | 
| 156 |  |  | #endif |