| 1 | < | /* | 
| 2 | < | * Copyright (C) 2000-2004  Object Oriented Parallel Simulation Engine (OOPSE) project | 
| 3 | < | * | 
| 4 | < | * Contact: oopse@oopse.org | 
| 5 | < | * | 
| 6 | < | * This program is free software; you can redistribute it and/or | 
| 7 | < | * modify it under the terms of the GNU Lesser General Public License | 
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| 9 | < | * of the License, or (at your option) any later version. | 
| 10 | < | * All we ask is that proper credit is given for our work, which includes | 
| 11 | < | * - but is not limited to - adding the above copyright notice to the beginning | 
| 12 | < | * of your source code files, and to any copyright notice that you may distribute | 
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| 14 | < | * | 
| 15 | < | * This program is distributed in the hope that it will be useful, | 
| 16 | < | * but WITHOUT ANY WARRANTY; without even the implied warranty of | 
| 17 | < | * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the | 
| 18 | < | * GNU Lesser General Public License for more details. | 
| 19 | < | * | 
| 20 | < | * You should have received a copy of the GNU Lesser General Public License | 
| 21 | < | * along with this program; if not, write to the Free Software | 
| 22 | < | * Foundation, Inc., 59 Temple Place - Suite 330, Boston, MA  02111-1307, USA. | 
| 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 | < |  | 
| 41 | > |  | 
| 42 |  | /** | 
| 43 |  | * @file Vector3.hpp | 
| 44 |  | * @author Teng Lin | 
| 55 |  | #include "Vector.hpp" | 
| 56 |  |  | 
| 57 |  | namespace oopse { | 
| 58 | + |  | 
| 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 | + | typedef Real ElemType; | 
| 68 | + | typedef Real* ElemPoinerType; | 
| 69 | + | Vector3() : Vector<Real, 3>(){} | 
| 70 | + |  | 
| 71 | + | /** Constructs and initializes a Vector3 from x, y, z coordinates */ | 
| 72 | + | inline Vector3( Real x, Real y, Real z) { | 
| 73 | + | this->data_[0] = x; | 
| 74 | + | this->data_[1] = y; | 
| 75 | + | this->data_[2] = z; | 
| 76 | + | } | 
| 77 |  |  | 
| 78 | + | /** Constructs and initializes from an array*/ | 
| 79 | + | inline Vector3(Real* array) : Vector<Real, 3>(array) {} | 
| 80 | + |  | 
| 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 |  | /** | 
| 90 | < | * @class Vector3 Vector3.hpp "math/Vector3.hpp" | 
| 91 | < | * @brief | 
| 90 | > | * Retunrs reference of the first element of Vector3. | 
| 91 | > | * @return reference of the first element of Vector3 | 
| 92 |  | */ | 
| 93 | + | inline Real& x() {  return this->data_[0];} | 
| 94 |  |  | 
| 48 | – | template<typename Real> | 
| 49 | – | class Vector3 : public Vector<Real, 3>{ | 
| 50 | – | public: | 
| 51 | – |  | 
| 52 | – | Vector3() : Vector<Real, 3>(){} | 
| 53 | – |  | 
| 54 | – | /** Constructs and initializes a Vector3 from x, y, z coordinates */ | 
| 55 | – | inline Vector3( double x, double y, double z) { | 
| 56 | – | data_[0] = x; | 
| 57 | – | data_[1] = y; | 
| 58 | – | data_[2] = z; | 
| 59 | – | } | 
| 60 | – |  | 
| 61 | – | inline Vector3(const Vector<Real, 3>& v) : Vector<Real, 3>(v) {} | 
| 62 | – |  | 
| 63 | – | inline Vector3<Real>& operator = (const Vector<Real, 3>& v) { | 
| 64 | – | if (this == &v) { return *this; } | 
| 65 | – | Vector<Real, 3>::operator=(v); | 
| 66 | – | return *this; | 
| 67 | – | } | 
| 68 | – |  | 
| 69 | – | /** | 
| 70 | – | * Retunrs reference of the first element of Vector3. | 
| 71 | – | * @return reference of the first element of Vector3 | 
| 72 | – | */ | 
| 73 | – | inline Real& x() {  return data_[0];} | 
| 74 | – |  | 
| 75 | – | /** | 
| 76 | – | * Retunrs the first element of Vector3. | 
| 77 | – | * @return  the first element of Vector3 | 
| 78 | – | */ | 
| 79 | – | inline Real x() const {  return data_[0];} | 
| 80 | – |  | 
| 81 | – | /** | 
| 82 | – | * Retunrs reference of the second element of Vector3. | 
| 83 | – | * @return reference of the second element of Vector3 | 
| 84 | – | */ | 
| 85 | – | inline Real& y() {  return data_[1];} | 
| 86 | – |  | 
| 87 | – | /** | 
| 88 | – | * Retunrs  the second element of Vector3. | 
| 89 | – | * @return c the second element of Vector3 | 
| 90 | – | */ | 
| 91 | – | inline Real y() const {  return data_[1];} | 
| 92 | – |  | 
| 93 | – | /** | 
| 94 | – | * Retunrs reference of the third element of Vector3. | 
| 95 | – | * @return reference of the third element of Vector3 | 
| 96 | – | */ | 
| 97 | – | inline Real& z() {  return data_[2];} | 
| 98 | – |  | 
| 99 | – | /** | 
| 100 | – | * Retunrs  the third element of Vector3. | 
| 101 | – | * @return f the third element of Vector3 | 
| 102 | – | */ | 
| 103 | – | inline Real z() const {  return data_[2];} | 
| 104 | – |  | 
| 105 | – | }; | 
| 106 | – |  | 
| 95 |  | /** | 
| 96 | < | * Returns the cross product of two Vectors | 
| 97 | < | * @param v1 first vector | 
| 110 | < | * @param v2 second vector | 
| 111 | < | * @return the cross product  of v1 and v2 | 
| 112 | < | * @see #vector::dot | 
| 96 | > | * Retunrs the first element of Vector3. | 
| 97 | > | * @return  the first element of Vector3 | 
| 98 |  | */ | 
| 99 | < | template<typename Real> | 
| 100 | < | Vector3<Real> cross( const Vector3<Real>& v1, const Vector3<Real>& v2 ) { | 
| 101 | < | Vector3<Real> result; | 
| 99 | > | inline Real x() const {  return this->data_[0];} | 
| 100 | > |  | 
| 101 | > | /** | 
| 102 | > | * Retunrs reference of the second element of Vector3. | 
| 103 | > | * @return reference of the second element of Vector3 | 
| 104 | > | */ | 
| 105 | > | inline Real& y() {  return this->data_[1];} | 
| 106 | > |  | 
| 107 | > | /** | 
| 108 | > | * Retunrs  the second element of Vector3. | 
| 109 | > | * @return c the second element of Vector3 | 
| 110 | > | */ | 
| 111 | > | inline Real y() const {  return this->data_[1];} | 
| 112 | > |  | 
| 113 | > | /** | 
| 114 | > | * Retunrs reference of the third element of Vector3. | 
| 115 | > | * @return reference of the third element of Vector3 | 
| 116 | > | */ | 
| 117 | > | inline Real& z() {  return this->data_[2];} | 
| 118 | > |  | 
| 119 | > | /** | 
| 120 | > | * Retunrs  the third element of Vector3. | 
| 121 | > | * @return f the third element of Vector3 | 
| 122 | > | */ | 
| 123 | > | inline Real z() const {  return this->data_[2];} | 
| 124 | > |  | 
| 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 |  |  | 
| 145 | < | result.x() = v1.y() * v2.z() - v1.z() * v2.y(); | 
| 146 | < | result.y() = v1.z() * v2.x() - v1.x() * v2.z(); | 
| 147 | < | result.z() = v1.x() * v2.y() - v1.y() * v2.x(); | 
| 145 | > | typedef Vector3<int> Vector3i; | 
| 146 | > |  | 
| 147 | > | typedef Vector3<double> Vector3d; | 
| 148 |  |  | 
| 149 | < | return result; | 
| 150 | < | } | 
| 151 | < |  | 
| 152 | < |  | 
| 153 | < | template Vector3<double> Vector3d; | 
| 127 | < |  | 
| 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 | > |  | 
| 154 |  | } | 
| 155 |  |  | 
| 130 | – |  | 
| 156 |  | #endif |