--- trunk/OOPSE-2.0/src/math/Vector3.hpp 2004/10/13 06:51:09 1563 +++ trunk/OOPSE-2.0/src/math/Vector3.hpp 2005/01/12 22:41:40 1930 @@ -1,28 +1,44 @@ -/* - * Copyright (C) 2000-2004 Object Oriented Parallel Simulation Engine (OOPSE) project - * - * Contact: oopse@oopse.org - * - * This program is free software; you can redistribute it and/or - * modify it under the terms of the GNU Lesser General Public License - * as published by the Free Software Foundation; either version 2.1 - * of the License, or (at your option) any later version. - * All we ask is that proper credit is given for our work, which includes - * - but is not limited to - adding the above copyright notice to the beginning - * of your source code files, and to any copyright notice that you may distribute - * with programs based on this work. - * - * This program is distributed in the hope that it will be useful, - * but WITHOUT ANY WARRANTY; without even the implied warranty of - * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the - * GNU Lesser General Public License for more details. - * - * You should have received a copy of the GNU Lesser General Public License - * along with this program; if not, write to the Free Software - * Foundation, Inc., 59 Temple Place - Suite 330, Boston, MA 02111-1307, USA. + /* + * 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 Vector3.hpp * @author Teng Lin @@ -39,90 +55,103 @@ namespace oopse { #include "Vector.hpp" namespace oopse { + + /** + * @class Vector3 Vector3.hpp "math/Vector3.hpp" + * @brief + */ + + template + class Vector3 : public Vector{ + public: + typedef Real ElemType; + typedef Real* ElemPoinerType; + + Vector3() : Vector(){} + + /** Constructs and initializes a Vector3 from x, y, z coordinates */ + inline Vector3( Real x, Real y, Real z) { + data_[0] = x; + data_[1] = y; + data_[2] = z; + } + /** Constructs and initializes from an array*/ + inline Vector3(Real* array) : Vector(array) {} + + inline Vector3(const Vector& v) : Vector(v) {} + + inline Vector3& operator = (const Vector& v) { + if (this == &v) { return *this; } + Vector::operator=(v); + return *this; + } + /** - * @class Vector3 Vector3.hpp "math/Vector3.hpp" - * @brief + * Retunrs reference of the first element of Vector3. + * @return reference of the first element of Vector3 */ + inline Real& x() { return data_[0];} - template - class Vector3 : public Vector{ - public: - - Vector3() : Vector(){} - - /** Constructs and initializes a Vector3 from x, y, z coordinates */ - inline Vector3( double x, double y, double z) { - data_[0] = x; - data_[1] = y; - data_[2] = z; - } - - inline Vector3(const Vector& v) : Vector(v) {} - - inline Vector3& operator = (const Vector& v) { - if (this == &v) { return *this; } - Vector::operator=(v); - return *this; - } - - /** - * Retunrs reference of the first element of Vector3. - * @return reference of the first element of Vector3 - */ - inline double& x() { return data_[0];} - - /** - * Retunrs the first element of Vector3. - * @return the first element of Vector3 - */ - inline double x() const { return data_[0];} - - /** - * Retunrs reference of the second element of Vector3. - * @return reference of the second element of Vector3 - */ - inline double& y() { return data_[1];} - - /** - * Retunrs the second element of Vector3. - * @return c the second element of Vector3 - */ - inline double y() const { return data_[1];} - - /** - * Retunrs reference of the third element of Vector3. - * @return reference of the third element of Vector3 - */ - inline double& z() { return data_[2];} - - /** - * Retunrs the third element of Vector3. - * @return f the third element of Vector3 - */ - inline double z() const { return 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 + * Retunrs the first element of Vector3. + * @return the first element of Vector3 */ - template - Vector3 cross( const Vector3& v1, const Vector3& v2 ) { - Vector3 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(); + inline Real x() const { return data_[0];} + + /** + * Retunrs reference of the second element of Vector3. + * @return reference of the second element of Vector3 + */ + inline Real& y() { return data_[1];} + + /** + * Retunrs the second element of Vector3. + * @return c the second element of Vector3 + */ + inline Real y() const { return data_[1];} + + /** + * Retunrs reference of the third element of Vector3. + * @return reference of the third element of Vector3 + */ + inline Real& z() { return data_[2];} + + /** + * Retunrs the third element of Vector3. + * @return f the third element of Vector3 + */ + inline Real z() const { return 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 + Vector3 cross( const Vector3& v1, const Vector3& v2 ) { + Vector3 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; + } - return result; - } - + typedef Vector3 Vector3i; + + typedef Vector3 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