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/* |
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* Copyright (c) 2005 The University of Notre Dame. All Rights Reserved. |
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* |
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* The University of Notre Dame grants you ("Licensee") a |
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* non-exclusive, royalty free, license to use, modify and |
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* redistribute this software in source and binary code form, provided |
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* that the following conditions are met: |
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* |
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* 1. Acknowledgement of the program authors must be made in any |
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* publication of scientific results based in part on use of the |
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* program. An acceptable form of acknowledgement is citation of |
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* the article in which the program was described (Matthew |
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* A. Meineke, Charles F. Vardeman II, Teng Lin, Christopher |
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* J. Fennell and J. Daniel Gezelter, "OOPSE: An Object-Oriented |
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* Parallel Simulation Engine for Molecular Dynamics," |
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* J. Comput. Chem. 26, pp. 252-271 (2005)) |
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* |
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* 2. Redistributions of source code must retain the above copyright |
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* notice, this list of conditions and the following disclaimer. |
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* |
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* 3. Redistributions in binary form must reproduce the above copyright |
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* notice, this list of conditions and the following disclaimer in the |
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* documentation and/or other materials provided with the |
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* distribution. |
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* |
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* This software is provided "AS IS," without a warranty of any |
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* kind. All express or implied conditions, representations and |
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* warranties, including any implied warranty of merchantability, |
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* fitness for a particular purpose or non-infringement, are hereby |
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* excluded. The University of Notre Dame and its licensors shall not |
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* be liable for any damages suffered by licensee as a result of |
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* using, modifying or distributing the software or its |
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* derivatives. In no event will the University of Notre Dame or its |
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* licensors be liable for any lost revenue, profit or data, or for |
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* direct, indirect, special, consequential, incidental or punitive |
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* damages, however caused and regardless of the theory of liability, |
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* arising out of the use of or inability to use software, even if the |
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* University of Notre Dame has been advised of the possibility of |
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* such damages. |
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*/ |
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|
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/** |
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* @file Vector.hpp |
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* @author Teng Lin |
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* @date 09/14/2004 |
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* @version 1.0 |
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*/ |
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|
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#ifndef MATH_VECTOR_HPP |
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#define MATH_VECTOR_HPP |
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|
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#include <cassert> |
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#include <cmath> |
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#include <iostream> |
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#include <math.h> |
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namespace oopse { |
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|
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static const double epsilon = 0.000001; |
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|
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template<typename T> |
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inline bool equal(T e1, T e2) { |
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return e1 == e2; |
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} |
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|
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template<> |
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inline bool equal(float e1, float e2) { |
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return fabs(e1 - e2) < epsilon; |
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} |
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|
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template<> |
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inline bool equal(double e1, double e2) { |
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return fabs(e1 - e2) < epsilon; |
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} |
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|
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|
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/** |
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* @class Vector Vector.hpp "math/Vector.hpp" |
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* @brief Fix length vector class |
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*/ |
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template<typename Real, unsigned int Dim> |
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class Vector{ |
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public: |
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|
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typedef Real ElemType; |
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typedef Real* ElemPoinerType; |
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|
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/** default constructor */ |
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inline Vector(){ |
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for (unsigned int i = 0; i < Dim; i++) |
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this->data_[i] = 0; |
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} |
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|
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/** Constructs and initializes a Vector from a vector */ |
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inline Vector(const Vector<Real, Dim>& v) { |
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*this = v; |
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} |
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|
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/** copy assignment operator */ |
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inline Vector<Real, Dim>& operator=(const Vector<Real, Dim>& v) { |
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if (this == &v) |
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return *this; |
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|
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for (unsigned int i = 0; i < Dim; i++) |
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this->data_[i] = v[i]; |
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|
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return *this; |
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} |
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|
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template<typename T> |
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inline Vector(const T& s){ |
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for (unsigned int i = 0; i < Dim; i++) |
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this->data_[i] = s; |
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} |
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|
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/** Constructs and initializes a Vector from an array */ |
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inline Vector( Real* v) { |
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for (unsigned int i = 0; i < Dim; i++) |
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this->data_[i] = v[i]; |
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} |
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|
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/** |
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* Returns reference of ith element. |
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* @return reference of ith element |
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* @param i index |
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*/ |
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inline Real& operator[](unsigned int i) { |
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assert( i < Dim); |
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return this->data_[i]; |
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} |
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|
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/** |
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* Returns reference of ith element. |
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* @return reference of ith element |
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* @param i index |
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*/ |
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inline Real& operator()(unsigned int i) { |
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assert( i < Dim); |
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return this->data_[i]; |
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} |
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|
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/** |
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* Returns constant reference of ith element. |
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* @return reference of ith element |
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* @param i index |
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*/ |
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inline const Real& operator[](unsigned int i) const { |
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assert( i < Dim); |
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return this->data_[i]; |
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} |
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|
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/** |
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* Returns constant reference of ith element. |
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* @return reference of ith element |
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* @param i index |
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*/ |
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inline const Real& operator()(unsigned int i) const { |
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assert( i < Dim); |
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return this->data_[i]; |
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} |
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|
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/** Copy the internal data to an array*/ |
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void getArray(Real* array) { |
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for (unsigned int i = 0; i < Dim; i ++) { |
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array[i] = this->data_[i]; |
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} |
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} |
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|
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/** Returns the pointer of internal array */ |
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Real* getArrayPointer() { |
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return this->data_; |
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} |
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|
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/** |
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* Tests if this vetor is equal to other vector |
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* @return true if equal, otherwise return false |
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* @param v vector to be compared |
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*/ |
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inline bool operator ==(const Vector<Real, Dim>& v) { |
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|
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for (unsigned int i = 0; i < Dim; i ++) { |
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if (!equal(this->data_[i], v[i])) { |
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return false; |
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} |
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} |
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|
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return true; |
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} |
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|
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/** |
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* Tests if this vetor is not equal to other vector |
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* @return true if equal, otherwise return false |
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* @param v vector to be compared |
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*/ |
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inline bool operator !=(const Vector<Real, Dim>& v) { |
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return !(*this == v); |
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} |
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|
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/** Negates the value of this vector in place. */ |
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inline void negate() { |
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for (unsigned int i = 0; i < Dim; i++) |
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this->data_[i] = -this->data_[i]; |
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} |
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|
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/** |
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* Sets the value of this vector to the negation of vector v1. |
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* @param v1 the source vector |
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*/ |
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inline void negate(const Vector<Real, Dim>& v1) { |
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for (unsigned int i = 0; i < Dim; i++) |
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this->data_[i] = -v1.data_[i]; |
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|
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} |
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|
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/** |
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* Sets the value of this vector to the sum of itself and v1 (*this += v1). |
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* @param v1 the other vector |
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*/ |
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inline void add( const Vector<Real, Dim>& v1 ) { |
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for (unsigned int i = 0; i < Dim; i++) |
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this->data_[i] += v1.data_[i]; |
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} |
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|
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/** |
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* Sets the value of this vector to the sum of v1 and v2 (*this = v1 + v2). |
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* @param v1 the first vector |
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* @param v2 the second vector |
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*/ |
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inline void add( const Vector<Real, Dim>& v1, const Vector<Real, Dim>& v2 ) { |
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for (unsigned int i = 0; i < Dim; i++) |
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this->data_[i] = v1.data_[i] + v2.data_[i]; |
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} |
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|
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/** |
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* Sets the value of this vector to the difference of itself and v1 (*this -= v1). |
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* @param v1 the other vector |
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*/ |
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inline void sub( const Vector<Real, Dim>& v1 ) { |
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for (unsigned int i = 0; i < Dim; i++) |
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this->data_[i] -= v1.data_[i]; |
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} |
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|
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/** |
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* Sets the value of this vector to the difference of vector v1 and v2 (*this = v1 - v2). |
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* @param v1 the first vector |
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* @param v2 the second vector |
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*/ |
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inline void sub( const Vector<Real, Dim>& v1, const Vector &v2 ){ |
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for (unsigned int i = 0; i < Dim; i++) |
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this->data_[i] = v1.data_[i] - v2.data_[i]; |
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} |
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|
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/** |
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* Sets the value of this vector to the scalar multiplication of itself (*this *= s). |
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* @param s the scalar value |
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*/ |
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inline void mul( Real s ) { |
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for (unsigned int i = 0; i < Dim; i++) |
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this->data_[i] *= s; |
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} |
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|
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/** |
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* Sets the value of this vector to the scalar multiplication of vector v1 |
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* (*this = s * v1). |
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* @param v1 the vector |
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* @param s the scalar value |
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*/ |
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inline void mul( const Vector<Real, Dim>& v1, Real s) { |
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for (unsigned int i = 0; i < Dim; i++) |
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this->data_[i] = s * v1.data_[i]; |
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} |
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|
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/** |
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* Sets the value of this vector to the scalar division of itself (*this /= s ). |
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* @param s the scalar value |
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*/ |
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inline void div( Real s) { |
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for (unsigned int i = 0; i < Dim; i++) |
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this->data_[i] /= s; |
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} |
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|
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/** |
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* Sets the value of this vector to the scalar division of vector v1 (*this = v1 / s ). |
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* @param v1 the source vector |
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* @param s the scalar value |
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*/ |
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inline void div( const Vector<Real, Dim>& v1, Real s ) { |
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for (unsigned int i = 0; i < Dim; i++) |
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this->data_[i] = v1.data_[i] / s; |
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} |
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|
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/** @see #add */ |
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inline Vector<Real, Dim>& operator +=( const Vector<Real, Dim>& v1 ) { |
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add(v1); |
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return *this; |
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} |
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|
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/** @see #sub */ |
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inline Vector<Real, Dim>& operator -=( const Vector<Real, Dim>& v1 ) { |
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sub(v1); |
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return *this; |
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} |
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|
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/** @see #mul */ |
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inline Vector<Real, Dim>& operator *=( Real s) { |
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mul(s); |
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return *this; |
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} |
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|
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/** @see #div */ |
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inline Vector<Real, Dim>& operator /=( Real s ) { |
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div(s); |
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return *this; |
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} |
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|
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/** |
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* Returns the length of this vector. |
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* @return the length of this vector |
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*/ |
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inline Real length() { |
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return sqrt(lengthSquare()); |
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} |
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|
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/** |
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* Returns the squared length of this vector. |
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* @return the squared length of this vector |
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*/ |
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inline Real lengthSquare() { |
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return dot(*this, *this); |
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} |
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|
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/** Normalizes this vector in place */ |
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inline void normalize() { |
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Real len; |
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|
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len = length(); |
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|
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//if (len < oopse:epsilon) |
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// throw(); |
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|
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*this /= len; |
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} |
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|
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/** |
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* Tests if this vector is normalized |
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* @return true if this vector is normalized, otherwise return false |
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*/ |
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inline bool isNormalized() { |
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return equal(lengthSquare(), 1.0); |
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} |
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|
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protected: |
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Real data_[Dim]; |
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|
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}; |
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|
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/** unary minus*/ |
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template<typename Real, unsigned int Dim> |
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inline Vector<Real, Dim> operator -(const Vector<Real, Dim>& v1){ |
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Vector<Real, Dim> tmp(v1); |
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tmp.negate(); |
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return tmp; |
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} |
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|
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/** |
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* Return the sum of two vectors (v1 - v2). |
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* @return the sum of two vectors |
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* @param v1 the first vector |
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* @param v2 the second vector |
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*/ |
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template<typename Real, unsigned int Dim> |
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inline Vector<Real, Dim> operator +(const Vector<Real, Dim>& v1, const Vector<Real, Dim>& v2) { |
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Vector<Real, Dim> result; |
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|
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result.add(v1, v2); |
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return result; |
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} |
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|
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/** |
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* Return the difference of two vectors (v1 - v2). |
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* @return the difference of two vectors |
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* @param v1 the first vector |
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* @param v2 the second vector |
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*/ |
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template<typename Real, unsigned int Dim> |
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Vector<Real, Dim> operator -(const Vector<Real, Dim>& v1, const Vector<Real, Dim>& v2) { |
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Vector<Real, Dim> result; |
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result.sub(v1, v2); |
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return result; |
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} |
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|
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/** |
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* Returns the vaule of scalar multiplication of this vector v1 (v1 * r). |
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* @return the vaule of scalar multiplication of this vector |
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* @param v1 the source vector |
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* @param s the scalar value |
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*/ |
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template<typename Real, unsigned int Dim> |
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Vector<Real, Dim> operator * ( const Vector<Real, Dim>& v1, Real s) { |
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Vector<Real, Dim> result; |
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result.mul(v1,s); |
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return result; |
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} |
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|
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/** |
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* Returns the vaule of scalar multiplication of this vector v1 (v1 * r). |
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* @return the vaule of scalar multiplication of this vector |
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* @param s the scalar value |
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* @param v1 the source vector |
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*/ |
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template<typename Real, unsigned int Dim> |
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Vector<Real, Dim> operator * ( Real s, const Vector<Real, Dim>& v1 ) { |
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Vector<Real, Dim> result; |
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result.mul(v1, s); |
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return result; |
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} |
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|
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/** |
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* Returns the value of division of a vector by a scalar. |
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* @return the vaule of scalar division of this vector |
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* @param v1 the source vector |
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* @param s the scalar value |
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*/ |
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template<typename Real, unsigned int Dim> |
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Vector<Real, Dim> operator / ( const Vector<Real, Dim>& v1, Real s) { |
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Vector<Real, Dim> result; |
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result.div( v1,s); |
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return result; |
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} |
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|
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/** |
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* Returns the dot product of two Vectors |
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* @param v1 first vector |
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* @param v2 second vector |
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* @return the dot product of v1 and v2 |
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*/ |
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template<typename Real, unsigned int Dim> |
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inline Real dot( const Vector<Real, Dim>& v1, const Vector<Real, Dim>& v2 ) { |
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Real tmp; |
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tmp = 0; |
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|
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for (unsigned int i = 0; i < Dim; i++) |
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tmp += v1[i] * v2[i]; |
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|
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return tmp; |
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} |
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|
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/** |
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* Returns the distance between two Vectors |
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* @param v1 first vector |
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* @param v2 second vector |
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* @return the distance between v1 and v2 |
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*/ |
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template<typename Real, unsigned int Dim> |
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inline Real distance( const Vector<Real, Dim>& v1, const Vector<Real, Dim>& v2 ) { |
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Vector<Real, Dim> tempVector = v1 - v2; |
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return tempVector.length(); |
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} |
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|
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/** |
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* Returns the squared distance between two Vectors |
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* @param v1 first vector |
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* @param v2 second vector |
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* @return the squared distance between v1 and v2 |
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*/ |
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template<typename Real, unsigned int Dim> |
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inline Real distanceSquare( const Vector<Real, Dim>& v1, const Vector<Real, Dim>& v2 ) { |
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Vector<Real, Dim> tempVector = v1 - v2; |
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return tempVector.lengthSquare(); |
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} |
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|
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/** |
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* Write to an output stream |
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*/ |
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template<typename Real, unsigned int Dim> |
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std::ostream &operator<< ( std::ostream& o, const Vector<Real, Dim>& v) { |
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|
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o << "[ "; |
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|
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for (unsigned int i = 0 ; i< Dim; i++) { |
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o << v[i]; |
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|
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if (i != Dim -1) { |
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o<< ", "; |
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} |
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} |
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|
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o << " ]"; |
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return o; |
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} |
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|
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} |
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#endif |
