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trunk/src/math/Vector.hpp (file contents), Revision 76 by tim, Thu Oct 14 23:28:09 2004 UTC vs.
branches/development/src/math/Vector.hpp (file contents), Revision 1760 by gezelter, Thu Jun 21 19:26:46 2012 UTC

#	Line 1 | Line 1
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
8	<	* as published by the Free Software Foundation; either version 2.1
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
13	<	* with programs based on this work.
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.
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. Redistributions of source code must retain the above copyright
10	+	*    notice, this list of conditions and the following disclaimer.
11	+	*
12	+	* 2. Redistributions in binary form must reproduce the above copyright
13	+	*    notice, this list of conditions and the following disclaimer in the
14	+	*    documentation and/or other materials provided with the
15	+	*    distribution.
16	+	*
17	+	* This software is provided "AS IS," without a warranty of any
18	+	* kind. All express or implied conditions, representations and
19	+	* warranties, including any implied warranty of merchantability,
20	+	* fitness for a particular purpose or non-infringement, are hereby
21	+	* excluded.  The University of Notre Dame and its licensors shall not
22	+	* be liable for any damages suffered by licensee as a result of
23	+	* using, modifying or distributing the software or its
24	+	* derivatives. In no event will the University of Notre Dame or its
25	+	* licensors be liable for any lost revenue, profit or data, or for
26	+	* direct, indirect, special, consequential, incidental or punitive
27	+	* damages, however caused and regardless of the theory of liability,
28	+	* arising out of the use of or inability to use software, even if the
29	+	* University of Notre Dame has been advised of the possibility of
30	+	* such damages.
31	+	*
32	+	* SUPPORT OPEN SCIENCE!  If you use OpenMD or its source code in your
33	+	* research, please cite the appropriate papers when you publish your
34	+	* work.  Good starting points are:
35	+	*
36	+	* [1]  Meineke, et al., J. Comp. Chem. 26, 252-271 (2005).
37	+	* [2]  Fennell & Gezelter, J. Chem. Phys. 124, 234104 (2006).
38	+	* [3]  Sun, Lin & Gezelter, J. Chem. Phys. 128, 24107 (2008).
39	+	* [4]  Kuang & Gezelter,  J. Chem. Phys. 133, 164101 (2010).
40	+	* [5]  Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011).
41		*/
42	<
42	>
43		/**
44		* @file Vector.hpp
45		* @author Teng Lin
#	Line 36 | Line 53
53		#include <cassert>
54		#include <cmath>
55		#include <iostream>
56	+	#include <math.h>
57	+	#include "config.h"
58	+	namespace OpenMD {
59
60	<	namespace oopse {
60	>	static const RealType epsilon = 0.000001;
61
62	<	const double epsilon = 0.000001;
62	>	template<typename T>
63	>	inline bool equal(T e1, T e2) {
64	>	return e1 == e2;
65	>	}
66
67	<	template<typename T>
68	<	inline bool equal(T e1, T e2) {
69	<	return e1 == e2;
70	<	}
67	>	//template<>
68	>	//inline bool equal(float e1, float e2) {
69	>	//  return fabs(e1 - e2) < epsilon;
70	>	//}
71
72	<	template<>
73	<	inline bool equal(float e1, float e2) {
74	<	return fabs(e1 - e2) < epsilon;
75	<	}
53	<
54	<	template<>
55	<	inline bool equal(double e1, double e2) {
56	<	return fabs(e1 - e2) < epsilon;
57	<	}
72	>	template<>
73	>	inline bool equal(RealType e1, RealType e2) {
74	>	return fabs(e1 - e2) < epsilon;
75	>	}
76
77	<	/**
78	<	* @class Vector Vector.hpp "math/Vector.hpp"
79	<	* @brief Fix length vector class
80	<	*/
81	<	template<typename Real, unsigned int Dim>
82	<	class Vector{
83	<	public:
77	>	/**
78	>	* @class Vector Vector.hpp "math/Vector.hpp"
79	>	* @brief Fix length vector class
80	>	*/
81	>	template<typename Real, unsigned int Dim>
82	>	class Vector{
83	>	public:
84
85	<	/** default constructor */
86	<	inline Vector(){
69	<	for (unsigned int i = 0; i < Dim; i++)
70	<	data_[i] = 0.0;
71	<	}
85	>	typedef Real ElemType;
86	>	typedef Real* ElemPoinerType;
87
88	<	/** Constructs and initializes a Vector from a vector */
89	<	inline Vector(const Vector<Real, Dim>& v) {
90	<	*this  = v;
91	<	}
88	>	/** default constructor */
89	>	inline Vector(){
90	>	for (unsigned int i = 0; i < Dim; i++)
91	>	this->data_[i] = 0;
92	>	}
93
94	<	/** copy assignment operator */
95	<	inline Vector<Real, Dim>& operator=(const Vector<Real, Dim>& v) {
96	<	if (this == &v)
97	<	return *this;
94	>	/** Constructs and initializes a Vector from a vector */
95	>	inline Vector(const Vector<Real, Dim>& v) {
96	>	*this  = v;
97	>	}
98	>
99	>	/** copy assignment operator */
100	>	inline Vector<Real, Dim>& operator=(const Vector<Real, Dim>& v) {
101	>	if (this == &v)
102	>	return *this;
103
104	<	for (unsigned int i = 0; i < Dim; i++)
105	<	data_[i] = v[i];
104	>	for (unsigned int i = 0; i < Dim; i++)
105	>	this->data_[i] = v[i];
106
107	<	return *this;
108	<	}
107	>	return *this;
108	>	}
109	>
110	>	template<typename T>
111	>	inline Vector(const T& s){
112	>	for (unsigned int i = 0; i < Dim; i++)
113	>	this->data_[i] = s;
114	>	}
115
116	<	/** Constructs and initializes a Vector from an array */
117	<	inline Vector( double* v) {
118	<	for (unsigned int i = 0; i < Dim; i++)
119	<	data_[i] = v[i];
120	<	}
116	>	/** Constructs and initializes a Vector from an array */
117	>	inline Vector( Real* v) {
118	>	for (unsigned int i = 0; i < Dim; i++)
119	>	this->data_[i] = v[i];
120	>	}
121
122	<	/**
123	<	* Returns reference of ith element.
124	<	* @return reference of ith element
125	<	* @param i index
126	<	*/
127	<	inline double& operator[](unsigned int  i) {
128	<	assert( i < Dim);
129	<	return data_[i];
130	<	}
122	>	/**
123	>	* Returns reference of ith element.
124	>	* @return reference of ith element
125	>	* @param i index
126	>	*/
127	>	inline Real& operator[](unsigned int  i) {
128	>	assert( i < Dim);
129	>	return this->data_[i];
130	>	}
131
132	<	/**
133	<	* Returns reference of ith element.
134	<	* @return reference of ith element
135	<	* @param i index
136	<	*/
137	<	inline double& operator()(unsigned int  i) {
138	<	assert( i < Dim);
139	<	return data_[i];
140	<	}
132	>	/**
133	>	* Returns reference of ith element.
134	>	* @return reference of ith element
135	>	* @param i index
136	>	*/
137	>	inline Real& operator()(unsigned int  i) {
138	>	assert( i < Dim);
139	>	return this->data_[i];
140	>	}
141
142	<	/**
143	<	* Returns constant reference of ith element.
144	<	* @return reference of ith element
145	<	* @param i index
146	<	*/
147	<	inline  const double& operator[](unsigned int i) const {
148	<	assert( i < Dim);
149	<	return data_[i];
150	<	}
142	>	/**
143	>	* Returns constant reference of ith element.
144	>	* @return reference of ith element
145	>	* @param i index
146	>	*/
147	>	inline  const Real& operator[](unsigned int i) const {
148	>	assert( i < Dim);
149	>	return this->data_[i];
150	>	}
151
152	<	/**
153	<	* Returns constant reference of ith element.
154	<	* @return reference of ith element
155	<	* @param i index
156	<	*/
157	<	inline  const double& operator()(unsigned int i) const {
158	<	assert( i < Dim);
159	<	return data_[i];
160	<	}
134	<
135	<	/**
136	<	* Tests if this vetor is equal to other vector
137	<	* @return true if equal, otherwise return false
138	<	* @param v vector to be compared
139	<	*/
140	<	inline bool operator ==(const Vector<Real, Dim>& v) {
152	>	/**
153	>	* Returns constant reference of ith element.
154	>	* @return reference of ith element
155	>	* @param i index
156	>	*/
157	>	inline  const Real& operator()(unsigned int i) const {
158	>	assert( i < Dim);
159	>	return this->data_[i];
160	>	}
161
162	<	for (unsigned int i = 0; i < Dim; i ++) {
163	<	if (!equal(data_[i], v[i])) {
164	<	return false;
165	<	}
166	<	}
167	<
148	<	return true;
149	<	}
162	>	/** Copy the internal data to an array*/
163	>	void getArray(Real* array) {
164	>	for (unsigned int i = 0; i < Dim; i ++) {
165	>	array[i] = this->data_[i];
166	>	}
167	>	}
168
169	<	/**
170	<	* Tests if this vetor is not equal to other vector
171	<	* @return true if equal, otherwise return false
172	<	* @param v vector to be compared
155	<	*/
156	<	inline bool operator !=(const Vector<Real, Dim>& v) {
157	<	return !(*this == v);
158	<	}
159	<
160	<	/** Negates the value of this vector in place. */
161	<	inline void negate() {
162	<	data_[0] = -data_[0];
163	<	data_[1] = -data_[1];
164	<	data_[2] = -data_[2];
165	<	}
166	<
167	<	/**
168	<	* Sets the value of this vector to the negation of vector v1.
169	<	* @param v1 the source vector
170	<	*/
171	<	inline void negate(const Vector<Real, Dim>& v1) {
172	<	for (unsigned int i = 0; i < Dim; i++)
173	<	data_[i] = -v1.data_[i];
174	<
175	<	}
169	>	/** Returns the pointer of internal array */
170	>	Real* getArrayPointer() {
171	>	return this->data_;
172	>	}
173
174	<	/**
175	<	* Sets the value of this vector to the sum of itself and v1 (*this += v1).
176	<	* @param v1 the other vector
177	<	*/
178	<	inline void add( const Vector<Real, Dim>& v1 ) {
179	<	for (unsigned int i = 0; i < Dim; i++)
183	<	data_[i] += v1.data_[i];
184	<	}
174	>	/**
175	>	* Tests if this vetor is equal to other vector
176	>	* @return true if equal, otherwise return false
177	>	* @param v vector to be compared
178	>	*/
179	>	inline bool operator ==(const Vector<Real, Dim>& v) {
180
181	<	/**
182	<	* Sets the value of this vector to the sum of v1 and v2 (*this = v1 + v2).
183	<	* @param v1 the first vector
184	<	* @param v2 the second vector
185	<	*/
186	<	inline void add( const Vector<Real, Dim>& v1, const Vector<Real, Dim>& v2 ) {
187	<	for (unsigned int i = 0; i < Dim; i++)
188	<	data_[i] = v1.data_[i] + v2.data_[i];
194	<	}
181	>	for (unsigned int i = 0; i < Dim; i ++) {
182	>	if (!equal(this->data_[i], v[i])) {
183	>	return false;
184	>	}
185	>	}
186	>
187	>	return true;
188	>	}
189
190	<	/**
191	<	* Sets the value of this vector to the difference  of itself and v1 (*this -= v1).
192	<	* @param v1 the other vector
193	<	*/
194	<	inline void sub( const Vector<Real, Dim>& v1 ) {
195	<	for (unsigned int i = 0; i < Dim; i++)
196	<	data_[i] -= v1.data_[i];
197	<	}
190	>	/**
191	>	* Tests if this vetor is not equal to other vector
192	>	* @return true if equal, otherwise return false
193	>	* @param v vector to be compared
194	>	*/
195	>	inline bool operator !=(const Vector<Real, Dim>& v) {
196	>	return !(*this == v);
197	>	}
198	>
199	>	/** Negates the value of this vector in place. */
200	>	inline void negate() {
201	>	for (unsigned int i = 0; i < Dim; i++)
202	>	this->data_[i] = -this->data_[i];
203	>	}
204
205	<	/**
206	<	* Sets the value of this vector to the difference of vector v1 and v2 (*this = v1 - v2).
207	<	* @param v1 the first vector
208	<	* @param v2 the second vector
209	<	*/
210	<	inline void sub( const Vector<Real, Dim>& v1, const Vector  &v2 ){
211	<	for (unsigned int i = 0; i < Dim; i++)
212	<	data_[i] = v1.data_[i] - v2.data_[i];
213	<	}
205	>	/**
206	>	* Sets the value of this vector to the negation of vector v1.
207	>	* @param v1 the source vector
208	>	*/
209	>	inline void negate(const Vector<Real, Dim>& v1) {
210	>	for (unsigned int i = 0; i < Dim; i++)
211	>	this->data_[i] = -v1.data_[i];
212
213	<	/**
216	<	* Sets the value of this vector to the scalar multiplication of itself (*this *= s).
217	<	* @param s the scalar value
218	<	*/
219	<	inline void mul( double s ) {
220	<	for (unsigned int i = 0; i < Dim; i++)
221	<	data_[i] *= s;
222	<	}
223	<
224	<	/**
225	<	* Sets the value of this vector to the scalar multiplication of vector v1
226	<	* (*this = s * v1).
227	<	* @param s the scalar value
228	<	* @param v1 the vector
229	<	*/
230	<	inline void mul( double s, const Vector<Real, Dim>& v1 ) {
231	<	for (unsigned int i = 0; i < Dim; i++)
232	<	data_[i] = s * v1.data_[i];
233	<	}
234	<
235	<	/**
236	<	* Sets the value of this vector to the scalar division of itself  (*this /= s ).
237	<	* @param s the scalar value
238	<	*/
239	<	inline void div( double s) {
240	<	for (unsigned int i = 0; i < Dim; i++)
241	<	data_[i] /= s;
242	<	}
243	<
244	<	/**
245	<	* Sets the value of this vector to the scalar division of vector v1  (*this = v1 / s ).
246	<	* @param v1 the source vector
247	<	* @param s the scalar value
248	<	*/
249	<	inline void div( const Vector<Real, Dim>& v1, double s ) {
250	<	for (unsigned int i = 0; i < Dim; i++)
251	<	data_[i] = v1.data_[i] / s;
252	<	}
253	<
254	<	/** @see #add */
255	<	inline Vector<Real, Dim>& operator +=( const Vector<Real, Dim>& v1 ) {
256	<	add(v1);
257	<	return *this;
258	<	}
259	<
260	<	/** @see #sub */
261	<	inline Vector<Real, Dim>& operator -=( const Vector<Real, Dim>& v1 ) {
262	<	sub(v1);
263	<	return *this;
264	<	}
265	<
266	<	/** @see #mul */
267	<	inline Vector<Real, Dim>& operator *=( double s) {
268	<	mul(s);
269	<	return *this;
270	<	}
271	<
272	<	/** @see #div */
273	<	inline Vector<Real, Dim>& operator /=( double s ) {
274	<	div(s);
275	<	return *this;
276	<	}
277	<
278	<	/**
279	<	* Returns the length of this vector.
280	<	* @return the length of this vector
281	<	*/
282	<	inline double length() {
283	<	return sqrt(lengthSquared());
284	<	}
213	>	}
214
215	<	/**
216	<	* Returns the squared length of this vector.
217	<	* @return the squared length of this vector
218	<	*/
219	<	inline double lengthSquared() {
220	<	return dot(*this, *this);
221	<	}
293	<
294	<	/** Normalizes this vector in place */
295	<	inline void normalize() {
296	<	double len;
297	<
298	<	len = length();
299	<	*this /= len;
300	<	}
301	<
302	<	protected:
303	<	double data_[3];
304	<
305	<	};
306	<
307	<	/** unary minus*/
308	<	template<typename Real, unsigned int Dim>
309	<	inline Vector<Real, Dim> operator -(const Vector<Real, Dim>& v1){
310	<	Vector tmp(v1);
311	<	return tmp.negate();
215	>	/**
216	>	* Sets the value of this vector to the sum of itself and v1 (*this += v1).
217	>	* @param v1 the other vector
218	>	*/
219	>	inline void add( const Vector<Real, Dim>& v1 ) {
220	>	for (unsigned int i = 0; i < Dim; i++)
221	>	this->data_[i] += v1.data_[i];
222		}
223
224		/**
225	<	* Return the sum of two vectors  (v1 - v2).
316	<	* @return the sum of two vectors
225	>	* Sets the value of this vector to the sum of v1 and v2 (*this = v1 + v2).
226		* @param v1 the first vector
227		* @param v2 the second vector
228	<	*/
229	<	template<typename Real, unsigned int Dim>
230	<	inline Vector<Real, Dim> operator +(const Vector<Real, Dim>& v1, const Vector<Real, Dim>& v2) {
231	<	Vector<Real, Dim> result;
323	<
324	<	result.add(v1, v2);
325	<	return result;
228	>	*/
229	>	inline void add( const Vector<Real, Dim>& v1, const Vector<Real, Dim>& v2 ) {
230	>	for (unsigned int i = 0; i < Dim; i++)
231	>	this->data_[i] = v1.data_[i] + v2.data_[i];
232		}
233
234		/**
235	<	* Return the difference of two vectors  (v1 - v2).
236	<	* @return the difference of two vectors
235	>	* Sets the value of this vector to the difference  of itself and v1 (*this -= v1).
236	>	* @param v1 the other vector
237	>	*/
238	>	inline void sub( const Vector<Real, Dim>& v1 ) {
239	>	for (unsigned int i = 0; i < Dim; i++)
240	>	this->data_[i] -= v1.data_[i];
241	>	}
242	>
243	>	/**
244	>	* Sets the value of this vector to the difference of vector v1 and v2 (*this = v1 - v2).
245		* @param v1 the first vector
246		* @param v2 the second vector
247	<	*/
248	<	template<typename Real, unsigned int Dim>
249	<	Vector<Real, Dim> operator -(const Vector<Real, Dim>& v1, const Vector<Real, Dim>& v2) {
250	<	Vector<Real, Dim> result;
337	<	result.sub(v1, v2);
338	<	return result;
247	>	*/
248	>	inline void sub( const Vector<Real, Dim>& v1, const Vector  &v2 ){
249	>	for (unsigned int i = 0; i < Dim; i++)
250	>	this->data_[i] = v1.data_[i] - v2.data_[i];
251		}
252	<
252	>
253		/**
254	<	* Returns the vaule of scalar multiplication of this vector v1 (v1 * r).
343	<	* @return  the vaule of scalar multiplication of this vector
344	<	* @param v1 the source vector
254	>	* Sets the value of this vector to the scalar multiplication of itself (*this *= s).
255		* @param s the scalar value
256	<	*/
257	<	template<typename Real, unsigned int Dim>
258	<	Vector<Real, Dim> operator * ( const Vector<Real, Dim>& v1, double s) {
259	<	Vector<Real, Dim> result;
350	<	result.mul(s, v1);
351	<	return result;
256	>	*/
257	>	inline void mul( Real s ) {
258	>	for (unsigned int i = 0; i < Dim; i++)
259	>	this->data_[i] *= s;
260		}
261	<
261	>
262		/**
263	<	* Returns the vaule of scalar multiplication of this vector v1 (v1 * r).
264	<	* @return  the vaule of scalar multiplication of this vector
263	>	* Sets the value of this vector to the scalar multiplication of vector v1
264	>	* (*this = s * v1).
265	>	* @param v1 the vector
266		* @param s the scalar value
267	<	* @param v1 the source vector
268	<	*/
269	<	template<typename Real, unsigned int Dim>
270	<	Vector<Real, Dim> operator * ( double s, const Vector<Real, Dim>& v1 ) {
362	<	Vector<Real, Dim> result;
363	<	result.mul(s, v1);
364	<	return result;
267	>	*/
268	>	inline void mul( const Vector<Real, Dim>& v1, Real s) {
269	>	for (unsigned int i = 0; i < Dim; i++)
270	>	this->data_[i] = s * v1.data_[i];
271		}
272
273		/**
274	<	* Returns the  value of division of a vector by a scalar.
275	<	* @return  the vaule of scalar division of this vector
276	<	* @param v1 the source vector
277	<	* @param s the scalar value
274	>	* Sets the elements of this vector to the multiplication of
275	>	* elements of two other vectors.  Not to be confused with scalar
276	>	* multiplication (mul) or dot products.
277	>	*
278	>	* (*this.data_[i] =  v1.data_[i] * v2.data_[i]).
279	>	* @param v1 the first vector
280	>	* @param v2 the second vector
281		*/
282	<	template<typename Real, unsigned int Dim>
283	<	Vector<Real, Dim> operator / ( const Vector<Real, Dim>& v1, double s) {
284	<	Vector<Real, Dim> result;
376	<	result.div( v1,s);
377	<	return result;
282	>	inline void Vmul( const Vector<Real, Dim>& v1, const Vector<Real, Dim>& v2) {
283	>	for (unsigned int i = 0; i < Dim; i++)
284	>	this->data_[i] = v1.data_[i] * v2.data_[i];
285		}
286	+
287	+	/* replaces the elements with the absolute values of those elements */
288	+	inline Vector<Real, Dim>& abs() {
289	+	for (unsigned int i = 0; i < Dim; i++) {
290	+	this->data_[i] = std::abs(this->data_[i]);
291	+	}
292	+	return *this;
293	+	}
294
295	+	/* returns the maximum value in this vector */
296	+	inline Real max() {
297	+	Real val = this->data_[0];
298	+	for (unsigned int i = 0; i < Dim; i++) {
299	+	if (this->data_[i] > val) val = this->data_[i];
300	+	}
301	+	return val;
302	+	}
303	+
304		/**
305	<	* Returns the  value of division of a vector by a scalar.
382	<	* @return  the vaule of scalar division of this vector
305	>	* Sets the value of this vector to the scalar division of itself  (*this /= s ).
306		* @param s the scalar value
307	+	*/
308	+	inline void div( Real s) {
309	+	for (unsigned int i = 0; i < Dim; i++)
310	+	this->data_[i] /= s;
311	+	}
312	+
313	+	/**
314	+	* Sets the value of this vector to the scalar division of vector v1  (*this = v1 / s ).
315		* @param v1 the source vector
316	+	* @param s the scalar value
317	+	*/
318	+	inline void div( const Vector<Real, Dim>& v1, Real s ) {
319	+	for (unsigned int i = 0; i < Dim; i++)
320	+	this->data_[i] = v1.data_[i] / s;
321	+	}
322	+
323	+	/**
324	+	* Sets the elements of this vector to the division of
325	+	* elements of two other vectors.  Not to be confused with scalar
326	+	* division (div)
327	+	*
328	+	* (*this.data_[i] =  v1.data_[i] / v2.data_[i]).
329	+	* @param v1 the first vector
330	+	* @param v2 the second vector
331		*/
332	<	template<typename Real, unsigned int Dim>
333	<	inline Vector<Real, Dim> operator /( double s, const Vector<Real, Dim>& v1 ) {
334	<	Vector<Real, Dim> result;
389	<	result.div( v1,s);
390	<	return result;
332	>	inline void Vdiv( const Vector<Real, Dim>& v1, const Vector<Real, Dim>& v2) {
333	>	for (unsigned int i = 0; i < Dim; i++)
334	>	this->data_[i] = v1.data_[i] / v2.data_[i];
335		}
336
393	–	/** fuzzy comparson */
394	–	template<typename Real, unsigned int Dim>
395	–	inline bool epsilonEqual( const Vector<Real, Dim>& v1, const Vector<Real, Dim>& v2 ) {
337
338	+	/** @see #add */
339	+	inline Vector<Real, Dim>& operator +=( const Vector<Real, Dim>& v1 ) {
340	+	add(v1);
341	+	return *this;
342		}
343
344	<
345	<	/**
346	<	* Returns the dot product of two Vectors
347	<	* @param v1 first vector
348	<	* @param v2 second vector
404	<	* @return the dot product of v1 and v2
405	<	*/
406	<	template<typename Real, unsigned int Dim>
407	<	inline Real dot( const Vector<Real, Dim>& v1, const Vector<Real, Dim>& v2 ) {
408	<	Real tmp;
409	<	tmp = 0;
344	>	/** @see #sub */
345	>	inline Vector<Real, Dim>& operator -=( const Vector<Real, Dim>& v1 ) {
346	>	sub(v1);
347	>	return *this;
348	>	}
349
350	<	for (unsigned int i = 0; i < Dim; i++)
351	<	tmp += v1[i] + v2[i];
352	<
353	<	return tmp;
350	>	/** @see #mul */
351	>	inline Vector<Real, Dim>& operator *=( Real s) {
352	>	mul(s);
353	>	return *this;
354		}
355
356	+	/** @see #div */
357	+	inline Vector<Real, Dim>& operator /=( Real s ) {
358	+	div(s);
359	+	return *this;
360	+	}
361	+
362		/**
363	<	* Returns the distance between  two Vectors
364	<	* @param v1 first vector
365	<	* @param v2 second vector
366	<	* @return the distance between v1 and v2
367	<	*/
368	<	template<typename Real, unsigned int Dim>
369	<	inline Real distance( const Vector<Real, Dim>& v1, const Vector<Real, Dim>& v2 ) {
370	<	Vector<Real, Dim> tempVector = v1 - v2;
371	<	return tempVector.length();
363	>	* Returns the sum of all elements of this vector.
364	>	* @return the sum of all elements of this vector
365	>	*/
366	>	inline Real sum() {
367	>	Real tmp;
368	>	tmp = 0;
369	>	for (unsigned int i = 0; i < Dim; i++)
370	>	tmp += this->data_[i];
371	>	return tmp;
372		}
373
374		/**
375	<	* Returns the squared distance between  two Vectors
376	<	* @param v1 first vector
432	<	* @param v2 second vector
433	<	* @return the squared distance between v1 and v2
375	>	* Returns the product of all elements of this vector.
376	>	* @return the product of all elements of this vector
377		*/
378	<	template<typename Real, unsigned int Dim>
379	<	inline Real distanceSquare( const Vector<Real, Dim>& v1, const Vector<Real, Dim>& v2 ) {
380	<	Vector<Real, Dim> tempVector = v1 - v2;
381	<	return tempVector.lengthSquare();
378	>	inline Real componentProduct() {
379	>	Real tmp;
380	>	tmp = 1;
381	>	for (unsigned int i = 0; i < Dim; i++)
382	>	tmp *= this->data_[i];
383	>	return tmp;
384		}
385	+
386	+	/**
387	+	* Returns the length of this vector.
388	+	* @return the length of this vector
389	+	*/
390	+	inline Real length() {
391	+	return sqrt(lengthSquare());
392	+	}
393	+
394	+	/**
395	+	* Returns the squared length of this vector.
396	+	* @return the squared length of this vector
397	+	*/
398	+	inline Real lengthSquare() {
399	+	return dot(*this, *this);
400	+	}
401	+
402	+	/** Normalizes this vector in place */
403	+	inline void normalize() {
404	+	Real len;
405
406	+	len = length();
407	+
408	+	//if (len < OpenMD::NumericConstant::epsilon)
409	+	//  throw();
410	+
411	+	*this /= len;
412	+	}
413	+
414		/**
415	<	* Write to an output stream
415	>	* Tests if this vector is normalized
416	>	* @return true if this vector is normalized, otherwise return false
417		*/
418	<	template<typename Real, unsigned int Dim>
419	<	std::ostream &operator<< ( std::ostream& o, const Vector<Real, Dim>& v1 ) {
418	>	inline bool isNormalized() {
419	>	return equal(lengthSquare(), (RealType)1);
420	>	}
421	>
422	>	unsigned int size() {return Dim;}
423	>	protected:
424	>	Real data_[Dim];
425
426	<	return o;
426	>	};
427	>
428	>	/** unary minus*/
429	>	template<typename Real, unsigned int Dim>
430	>	inline Vector<Real, Dim> operator -(const Vector<Real, Dim>& v1){
431	>	Vector<Real, Dim> tmp(v1);
432	>	tmp.negate();
433	>	return tmp;
434	>	}
435	>
436	>	/**
437	>	* Return the sum of two vectors  (v1 - v2).
438	>	* @return the sum of two vectors
439	>	* @param v1 the first vector
440	>	* @param v2 the second vector
441	>	*/
442	>	template<typename Real, unsigned int Dim>
443	>	inline Vector<Real, Dim> operator +(const Vector<Real, Dim>& v1, const Vector<Real, Dim>& v2) {
444	>	Vector<Real, Dim> result;
445	>
446	>	result.add(v1, v2);
447	>	return result;
448	>	}
449	>
450	>	/**
451	>	* Return the difference of two vectors  (v1 - v2).
452	>	* @return the difference of two vectors
453	>	* @param v1 the first vector
454	>	* @param v2 the second vector
455	>	*/
456	>	template<typename Real, unsigned int Dim>
457	>	Vector<Real, Dim> operator -(const Vector<Real, Dim>& v1, const Vector<Real, Dim>& v2) {
458	>	Vector<Real, Dim> result;
459	>	result.sub(v1, v2);
460	>	return result;
461	>	}
462	>
463	>	/**
464	>	* Returns the vaule of scalar multiplication of this vector v1 (v1 * r).
465	>	* @return  the vaule of scalar multiplication of this vector
466	>	* @param v1 the source vector
467	>	* @param s the scalar value
468	>	*/
469	>	template<typename Real, unsigned int Dim>
470	>	Vector<Real, Dim> operator * ( const Vector<Real, Dim>& v1, Real s) {
471	>	Vector<Real, Dim> result;
472	>	result.mul(v1,s);
473	>	return result;
474	>	}
475	>
476	>	/**
477	>	* Returns the vaule of scalar multiplication of this vector v1 (v1 * r).
478	>	* @return  the vaule of scalar multiplication of this vector
479	>	* @param s the scalar value
480	>	* @param v1 the source vector
481	>	*/
482	>	template<typename Real, unsigned int Dim>
483	>	Vector<Real, Dim> operator * ( Real s, const Vector<Real, Dim>& v1 ) {
484	>	Vector<Real, Dim> result;
485	>	result.mul(v1, s);
486	>	return result;
487	>	}
488	>
489	>	/**
490	>	* Returns the  value of division of a vector by a scalar.
491	>	* @return  the vaule of scalar division of this vector
492	>	* @param v1 the source vector
493	>	* @param s the scalar value
494	>	*/
495	>	template<typename Real, unsigned int Dim>
496	>	Vector<Real, Dim> operator / ( const Vector<Real, Dim>& v1, Real s) {
497	>	Vector<Real, Dim> result;
498	>	result.div( v1,s);
499	>	return result;
500	>	}
501	>
502	>	/**
503	>	* Returns the dot product of two Vectors
504	>	* @param v1 first vector
505	>	* @param v2 second vector
506	>	* @return the dot product of v1 and v2
507	>	*/
508	>	template<typename Real, unsigned int Dim>
509	>	inline Real dot( const Vector<Real, Dim>& v1, const Vector<Real, Dim>& v2 ) {
510	>	Real tmp;
511	>	tmp = 0;
512	>
513	>	for (unsigned int i = 0; i < Dim; i++)
514	>	tmp += v1[i] * v2[i];
515	>
516	>	return tmp;
517	>	}
518	>
519	>
520	>
521	>
522	>	/**
523	>	* Returns the wide dot product of three Vectors.  Compare with
524	>	* Rapaport's VWDot function.
525	>	*
526	>	* @param v1 first vector
527	>	* @param v2 second vector
528	>	* @param v3 third vector
529	>	* @return the wide dot product of v1, v2, and v3.
530	>	*/
531	>	template<typename Real, unsigned int Dim>
532	>	inline Real dot( const Vector<Real, Dim>& v1, const Vector<Real, Dim>& v2, const Vector<Real, Dim>& v3 ) {
533	>	Real tmp;
534	>	tmp = 0;
535	>
536	>	for (unsigned int i = 0; i < Dim; i++)
537	>	tmp += v1[i] * v2[i] * v3[i];
538	>
539	>	return tmp;
540	>	}
541	>
542	>
543	>	/**
544	>	* Returns the distance between  two Vectors
545	>	* @param v1 first vector
546	>	* @param v2 second vector
547	>	* @return the distance between v1 and v2
548	>	*/
549	>	template<typename Real, unsigned int Dim>
550	>	inline Real distance( const Vector<Real, Dim>& v1, const Vector<Real, Dim>& v2 ) {
551	>	Vector<Real, Dim> tempVector = v1 - v2;
552	>	return tempVector.length();
553	>	}
554	>
555	>	/**
556	>	* Returns the squared distance between  two Vectors
557	>	* @param v1 first vector
558	>	* @param v2 second vector
559	>	* @return the squared distance between v1 and v2
560	>	*/
561	>	template<typename Real, unsigned int Dim>
562	>	inline Real distanceSquare( const Vector<Real, Dim>& v1, const Vector<Real, Dim>& v2 ) {
563	>	Vector<Real, Dim> tempVector = v1 - v2;
564	>	return tempVector.lengthSquare();
565	>	}
566	>
567	>	/**
568	>	* Write to an output stream
569	>	*/
570	>	template<typename Real, unsigned int Dim>
571	>	std::ostream &operator<< ( std::ostream& o, const Vector<Real, Dim>& v) {
572	>
573	>	o << "[ ";
574	>
575	>	for (unsigned int i = 0 ; i< Dim; i++) {
576	>	o << v[i];
577	>
578	>	if (i  != Dim -1) {
579	>	o<< ", ";
580	>	}
581		}
582	+
583	+	o << " ]";
584	+	return o;
585	+	}
586
587		}
588		#endif

Comparing:
trunk/src/math/Vector.hpp (property svn:keywords), Revision 76 by tim, Thu Oct 14 23:28:09 2004 UTC vs.
branches/development/src/math/Vector.hpp (property svn:keywords), Revision 1760 by gezelter, Thu Jun 21 19:26:46 2012 UTC

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