--- trunk/src/math/Vector.hpp 2004/10/25 22:46:19 151 +++ trunk/src/math/Vector.hpp 2005/03/01 20:10:14 385 @@ -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 Vector.hpp * @author Teng Lin @@ -36,10 +52,10 @@ #include #include #include - +#include namespace oopse { - const double epsilon = 0.000001; + static const double epsilon = 0.000001; template inline bool equal(T e1, T e2) { @@ -71,7 +87,7 @@ namespace oopse { /** default constructor */ inline Vector(){ for (unsigned int i = 0; i < Dim; i++) - data_[i] = 0.0; + this->data_[i] = 0; } /** Constructs and initializes a Vector from a vector */ @@ -85,7 +101,7 @@ namespace oopse { return *this; for (unsigned int i = 0; i < Dim; i++) - data_[i] = v[i]; + this->data_[i] = v[i]; return *this; } @@ -93,13 +109,13 @@ namespace oopse { template inline Vector(const T& s){ for (unsigned int i = 0; i < Dim; i++) - data_[i] = s; + this->data_[i] = s; } /** Constructs and initializes a Vector from an array */ inline Vector( Real* v) { for (unsigned int i = 0; i < Dim; i++) - data_[i] = v[i]; + this->data_[i] = v[i]; } /** @@ -109,7 +125,7 @@ namespace oopse { */ inline Real& operator[](unsigned int i) { assert( i < Dim); - return data_[i]; + return this->data_[i]; } /** @@ -119,7 +135,7 @@ namespace oopse { */ inline Real& operator()(unsigned int i) { assert( i < Dim); - return data_[i]; + return this->data_[i]; } /** @@ -129,7 +145,7 @@ namespace oopse { */ inline const Real& operator[](unsigned int i) const { assert( i < Dim); - return data_[i]; + return this->data_[i]; } /** @@ -139,19 +155,19 @@ namespace oopse { */ inline const Real& operator()(unsigned int i) const { assert( i < Dim); - return data_[i]; + return this->data_[i]; } /** Copy the internal data to an array*/ void getArray(Real* array) { for (unsigned int i = 0; i < Dim; i ++) { - array[i] = data_[i]; + array[i] = this->data_[i]; } } /** Returns the pointer of internal array */ Real* getArrayPointer() { - return data_; + return this->data_; } /** @@ -162,7 +178,7 @@ namespace oopse { inline bool operator ==(const Vector& v) { for (unsigned int i = 0; i < Dim; i ++) { - if (!equal(data_[i], v[i])) { + if (!equal(this->data_[i], v[i])) { return false; } } @@ -182,7 +198,7 @@ namespace oopse { /** Negates the value of this vector in place. */ inline void negate() { for (unsigned int i = 0; i < Dim; i++) - data_[i] = -data_[i]; + this->data_[i] = -this->data_[i]; } /** @@ -191,7 +207,7 @@ namespace oopse { */ inline void negate(const Vector& v1) { for (unsigned int i = 0; i < Dim; i++) - data_[i] = -v1.data_[i]; + this->data_[i] = -v1.data_[i]; } @@ -201,7 +217,7 @@ namespace oopse { */ inline void add( const Vector& v1 ) { for (unsigned int i = 0; i < Dim; i++) - data_[i] += v1.data_[i]; + this->data_[i] += v1.data_[i]; } /** @@ -211,7 +227,7 @@ namespace oopse { */ inline void add( const Vector& v1, const Vector& v2 ) { for (unsigned int i = 0; i < Dim; i++) - data_[i] = v1.data_[i] + v2.data_[i]; + this->data_[i] = v1.data_[i] + v2.data_[i]; } /** @@ -220,7 +236,7 @@ namespace oopse { */ inline void sub( const Vector& v1 ) { for (unsigned int i = 0; i < Dim; i++) - data_[i] -= v1.data_[i]; + this->data_[i] -= v1.data_[i]; } /** @@ -230,7 +246,7 @@ namespace oopse { */ inline void sub( const Vector& v1, const Vector &v2 ){ for (unsigned int i = 0; i < Dim; i++) - data_[i] = v1.data_[i] - v2.data_[i]; + this->data_[i] = v1.data_[i] - v2.data_[i]; } /** @@ -239,7 +255,7 @@ namespace oopse { */ inline void mul( Real s ) { for (unsigned int i = 0; i < Dim; i++) - data_[i] *= s; + this->data_[i] *= s; } /** @@ -250,7 +266,7 @@ namespace oopse { */ inline void mul( const Vector& v1, Real s) { for (unsigned int i = 0; i < Dim; i++) - data_[i] = s * v1.data_[i]; + this->data_[i] = s * v1.data_[i]; } /** @@ -259,7 +275,7 @@ namespace oopse { */ inline void div( Real s) { for (unsigned int i = 0; i < Dim; i++) - data_[i] /= s; + this->data_[i] /= s; } /** @@ -269,7 +285,7 @@ namespace oopse { */ inline void div( const Vector& v1, Real s ) { for (unsigned int i = 0; i < Dim; i++) - data_[i] = v1.data_[i] / s; + this->data_[i] = v1.data_[i] / s; } /** @see #add */