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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 1665 by gezelter, Tue Nov 22 20:38:56 2011 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	<	}
72	>	template<>
73	>	inline bool equal(RealType e1, RealType e2) {
74	>	return fabs(e1 - e2) < epsilon;
75	>	}
76
54	–	template<>
55	–	inline bool equal(double e1, double e2) {
56	–	return fabs(e1 - e2) < epsilon;
57	–	}
77
78	<	/**
79	<	* @class Vector Vector.hpp "math/Vector.hpp"
80	<	* @brief Fix length vector class
81	<	*/
82	<	template<typename Real, unsigned int Dim>
83	<	class Vector{
84	<	public:
78	>	/**
79	>	* @class Vector Vector.hpp "math/Vector.hpp"
80	>	* @brief Fix length vector class
81	>	*/
82	>	template<typename Real, unsigned int Dim>
83	>	class Vector{
84	>	public:
85
86	<	/** default constructor */
87	<	inline Vector(){
69	<	for (unsigned int i = 0; i < Dim; i++)
70	<	data_[i] = 0.0;
71	<	}
86	>	typedef Real ElemType;
87	>	typedef Real* ElemPoinerType;
88
89	<	/** Constructs and initializes a Vector from a vector */
90	<	inline Vector(const Vector<Real, Dim>& v) {
91	<	*this  = v;
92	<	}
89	>	/** default constructor */
90	>	inline Vector(){
91	>	for (unsigned int i = 0; i < Dim; i++)
92	>	this->data_[i] = 0;
93	>	}
94
95	<	/** copy assignment operator */
96	<	inline Vector<Real, Dim>& operator=(const Vector<Real, Dim>& v) {
97	<	if (this == &v)
98	<	return *this;
95	>	/** Constructs and initializes a Vector from a vector */
96	>	inline Vector(const Vector<Real, Dim>& v) {
97	>	*this  = v;
98	>	}
99	>
100	>	/** copy assignment operator */
101	>	inline Vector<Real, Dim>& operator=(const Vector<Real, Dim>& v) {
102	>	if (this == &v)
103	>	return *this;
104
105	<	for (unsigned int i = 0; i < Dim; i++)
106	<	data_[i] = v[i];
105	>	for (unsigned int i = 0; i < Dim; i++)
106	>	this->data_[i] = v[i];
107
108	<	return *this;
109	<	}
108	>	return *this;
109	>	}
110	>
111	>	template<typename T>
112	>	inline Vector(const T& s){
113	>	for (unsigned int i = 0; i < Dim; i++)
114	>	this->data_[i] = s;
115	>	}
116
117	<	/** Constructs and initializes a Vector from an array */
118	<	inline Vector( double* v) {
119	<	for (unsigned int i = 0; i < Dim; i++)
120	<	data_[i] = v[i];
121	<	}
117	>	/** Constructs and initializes a Vector from an array */
118	>	inline Vector( Real* v) {
119	>	for (unsigned int i = 0; i < Dim; i++)
120	>	this->data_[i] = v[i];
121	>	}
122
123	<	/**
124	<	* Returns reference of ith element.
125	<	* @return reference of ith element
126	<	* @param i index
127	<	*/
128	<	inline double& operator[](unsigned int  i) {
129	<	assert( i < Dim);
130	<	return data_[i];
131	<	}
123	>	/**
124	>	* Returns reference of ith element.
125	>	* @return reference of ith element
126	>	* @param i index
127	>	*/
128	>	inline Real& operator[](unsigned int  i) {
129	>	assert( i < Dim);
130	>	return this->data_[i];
131	>	}
132
133	<	/**
134	<	* Returns reference of ith element.
135	<	* @return reference of ith element
136	<	* @param i index
137	<	*/
138	<	inline double& operator()(unsigned int  i) {
139	<	assert( i < Dim);
140	<	return data_[i];
141	<	}
133	>	/**
134	>	* Returns reference of ith element.
135	>	* @return reference of ith element
136	>	* @param i index
137	>	*/
138	>	inline Real& operator()(unsigned int  i) {
139	>	assert( i < Dim);
140	>	return this->data_[i];
141	>	}
142
143	<	/**
144	<	* Returns constant reference of ith element.
145	<	* @return reference of ith element
146	<	* @param i index
147	<	*/
148	<	inline  const double& operator[](unsigned int i) const {
149	<	assert( i < Dim);
150	<	return data_[i];
151	<	}
143	>	/**
144	>	* Returns constant reference of ith element.
145	>	* @return reference of ith element
146	>	* @param i index
147	>	*/
148	>	inline  const Real& operator[](unsigned int i) const {
149	>	assert( i < Dim);
150	>	return this->data_[i];
151	>	}
152
153	<	/**
154	<	* Returns constant reference of ith element.
155	<	* @return reference of ith element
156	<	* @param i index
157	<	*/
158	<	inline  const double& operator()(unsigned int i) const {
159	<	assert( i < Dim);
160	<	return data_[i];
161	<	}
162	<
163	<	/**
164	<	* Tests if this vetor is equal to other vector
165	<	* @return true if equal, otherwise return false
166	<	* @param v vector to be compared
167	<	*/
168	<	inline bool operator ==(const Vector<Real, Dim>& v) {
169	<
170	<	for (unsigned int i = 0; i < Dim; i ++) {
171	<	if (!equal(data_[i], v[i])) {
172	<	return false;
173	<	}
174	<	}
153	>	/**
154	>	* Returns constant reference of ith element.
155	>	* @return reference of ith element
156	>	* @param i index
157	>	*/
158	>	inline  const Real& operator()(unsigned int i) const {
159	>	assert( i < Dim);
160	>	return this->data_[i];
161	>	}
162	>
163	>	/** Copy the internal data to an array*/
164	>	void getArray(Real* array) {
165	>	for (unsigned int i = 0; i < Dim; i ++) {
166	>	array[i] = this->data_[i];
167	>	}
168	>	}
169	>
170	>	/** Returns the pointer of internal array */
171	>	Real* getArrayPointer() {
172	>	return this->data_;
173	>	}
174	>
175	>	/**
176	>	* Tests if this vetor is equal to other vector
177	>	* @return true if equal, otherwise return false
178	>	* @param v vector to be compared
179	>	*/
180	>	inline bool operator ==(const Vector<Real, Dim>& v) {
181	>
182	>	for (unsigned int i = 0; i < Dim; i ++) {
183	>	if (!equal(this->data_[i], v[i])) {
184	>	return false;
185	>	}
186	>	}
187
188	<	return true;
189	<	}
188	>	return true;
189	>	}
190
191	<	/**
192	<	* Tests if this vetor is not equal to other vector
193	<	* @return true if equal, otherwise return false
194	<	* @param v vector to be compared
195	<	*/
196	<	inline bool operator !=(const Vector<Real, Dim>& v) {
197	<	return !(*this == v);
198	<	}
191	>	/**
192	>	* Tests if this vetor is not equal to other vector
193	>	* @return true if equal, otherwise return false
194	>	* @param v vector to be compared
195	>	*/
196	>	inline bool operator !=(const Vector<Real, Dim>& v) {
197	>	return !(*this == v);
198	>	}
199
200	<	/** Negates the value of this vector in place. */
201	<	inline void negate() {
202	<	data_[0] = -data_[0];
203	<	data_[1] = -data_[1];
204	<	data_[2] = -data_[2];
165	<	}
200	>	/** Negates the value of this vector in place. */
201	>	inline void negate() {
202	>	for (unsigned int i = 0; i < Dim; i++)
203	>	this->data_[i] = -this->data_[i];
204	>	}
205
206	<	/**
207	<	* Sets the value of this vector to the negation of vector v1.
208	<	* @param v1 the source vector
209	<	*/
210	<	inline void negate(const Vector<Real, Dim>& v1) {
211	<	for (unsigned int i = 0; i < Dim; i++)
212	<	data_[i] = -v1.data_[i];
206	>	/**
207	>	* Sets the value of this vector to the negation of vector v1.
208	>	* @param v1 the source vector
209	>	*/
210	>	inline void negate(const Vector<Real, Dim>& v1) {
211	>	for (unsigned int i = 0; i < Dim; i++)
212	>	this->data_[i] = -v1.data_[i];
213
214	<	}
214	>	}
215
216	<	/**
217	<	* Sets the value of this vector to the sum of itself and v1 (*this += v1).
218	<	* @param v1 the other vector
219	<	*/
220	<	inline void add( const Vector<Real, Dim>& v1 ) {
221	<	for (unsigned int i = 0; i < Dim; i++)
222	<	data_[i] += v1.data_[i];
223	<	}
216	>	/**
217	>	* Sets the value of this vector to the sum of itself and v1 (*this += v1).
218	>	* @param v1 the other vector
219	>	*/
220	>	inline void add( const Vector<Real, Dim>& v1 ) {
221	>	for (unsigned int i = 0; i < Dim; i++)
222	>	this->data_[i] += v1.data_[i];
223	>	}
224
225	<	/**
226	<	* Sets the value of this vector to the sum of v1 and v2 (*this = v1 + v2).
227	<	* @param v1 the first vector
228	<	* @param v2 the second vector
229	<	*/
230	<	inline void add( const Vector<Real, Dim>& v1, const Vector<Real, Dim>& v2 ) {
231	<	for (unsigned int i = 0; i < Dim; i++)
232	<	data_[i] = v1.data_[i] + v2.data_[i];
233	<	}
225	>	/**
226	>	* Sets the value of this vector to the sum of v1 and v2 (*this = v1 + v2).
227	>	* @param v1 the first vector
228	>	* @param v2 the second vector
229	>	*/
230	>	inline void add( const Vector<Real, Dim>& v1, const Vector<Real, Dim>& v2 ) {
231	>	for (unsigned int i = 0; i < Dim; i++)
232	>	this->data_[i] = v1.data_[i] + v2.data_[i];
233	>	}
234
235	<	/**
236	<	* Sets the value of this vector to the difference  of itself and v1 (*this -= v1).
237	<	* @param v1 the other vector
238	<	*/
239	<	inline void sub( const Vector<Real, Dim>& v1 ) {
240	<	for (unsigned int i = 0; i < Dim; i++)
241	<	data_[i] -= v1.data_[i];
242	<	}
235	>	/**
236	>	* Sets the value of this vector to the difference  of itself and v1 (*this -= v1).
237	>	* @param v1 the other vector
238	>	*/
239	>	inline void sub( const Vector<Real, Dim>& v1 ) {
240	>	for (unsigned int i = 0; i < Dim; i++)
241	>	this->data_[i] -= v1.data_[i];
242	>	}
243
244	<	/**
245	<	* Sets the value of this vector to the difference of vector v1 and v2 (*this = v1 - v2).
246	<	* @param v1 the first vector
247	<	* @param v2 the second vector
248	<	*/
249	<	inline void sub( const Vector<Real, Dim>& v1, const Vector  &v2 ){
250	<	for (unsigned int i = 0; i < Dim; i++)
251	<	data_[i] = v1.data_[i] - v2.data_[i];
252	<	}
244	>	/**
245	>	* Sets the value of this vector to the difference of vector v1 and v2 (*this = v1 - v2).
246	>	* @param v1 the first vector
247	>	* @param v2 the second vector
248	>	*/
249	>	inline void sub( const Vector<Real, Dim>& v1, const Vector  &v2 ){
250	>	for (unsigned int i = 0; i < Dim; i++)
251	>	this->data_[i] = v1.data_[i] - v2.data_[i];
252	>	}
253
254	<	/**
255	<	* Sets the value of this vector to the scalar multiplication of itself (*this *= s).
256	<	* @param s the scalar value
257	<	*/
258	<	inline void mul( double s ) {
259	<	for (unsigned int i = 0; i < Dim; i++)
260	<	data_[i] *= s;
261	<	}
254	>	/**
255	>	* Sets the value of this vector to the scalar multiplication of itself (*this *= s).
256	>	* @param s the scalar value
257	>	*/
258	>	inline void mul( Real s ) {
259	>	for (unsigned int i = 0; i < Dim; i++)
260	>	this->data_[i] *= s;
261	>	}
262
263	<	/**
264	<	* Sets the value of this vector to the scalar multiplication of vector v1
265	<	* (*this = s * v1).
266	<	* @param s the scalar value
267	<	* @param v1 the vector
268	<	*/
269	<	inline void mul( double s, const Vector<Real, Dim>& v1 ) {
270	<	for (unsigned int i = 0; i < Dim; i++)
271	<	data_[i] = s * v1.data_[i];
272	<	}
263	>	/**
264	>	* Sets the value of this vector to the scalar multiplication of vector v1
265	>	* (*this = s * v1).
266	>	* @param v1 the vector
267	>	* @param s the scalar value
268	>	*/
269	>	inline void mul( const Vector<Real, Dim>& v1, Real s) {
270	>	for (unsigned int i = 0; i < Dim; i++)
271	>	this->data_[i] = s * v1.data_[i];
272	>	}
273
274	<	/**
275	<	* Sets the value of this vector to the scalar division of itself  (*this /= s ).
276	<	* @param s the scalar value
277	<	*/
278	<	inline void div( double s) {
279	<	for (unsigned int i = 0; i < Dim; i++)
280	<	data_[i] /= s;
281	<	}
274	>	/**
275	>	* Sets the elements of this vector to the multiplication of
276	>	* elements of two other vectors.  Not to be confused with scalar
277	>	* multiplication (mul) or dot products.
278	>	*
279	>	* (*this.data_[i] =  v1.data_[i] * v2.data_[i]).
280	>	* @param v1 the first vector
281	>	* @param v2 the second vector
282	>	*/
283	>	inline void Vmul( const Vector<Real, Dim>& v1, const Vector<Real, Dim>& v2) {
284	>	for (unsigned int i = 0; i < Dim; i++)
285	>	this->data_[i] = v1.data_[i] * v2.data_[i];
286	>	}
287
288	<	/**
289	<	* Sets the value of this vector to the scalar division of vector v1  (*this = v1 / s ).
290	<	* @param v1 the source vector
291	<	* @param s the scalar value
292	<	*/
293	<	inline void div( const Vector<Real, Dim>& v1, double s ) {
294	<	for (unsigned int i = 0; i < Dim; i++)
295	<	data_[i] = v1.data_[i] / s;
252	<	}
288	>	/**
289	>	* Sets the value of this vector to the scalar division of itself  (*this /= s ).
290	>	* @param s the scalar value
291	>	*/
292	>	inline void div( Real s) {
293	>	for (unsigned int i = 0; i < Dim; i++)
294	>	this->data_[i] /= s;
295	>	}
296
297	<	/** @see #add */
298	<	inline Vector<Real, Dim>& operator +=( const Vector<Real, Dim>& v1 ) {
299	<	add(v1);
300	<	return *this;
301	<	}
297	>	/**
298	>	* Sets the value of this vector to the scalar division of vector v1  (*this = v1 / s ).
299	>	* @param v1 the source vector
300	>	* @param s the scalar value
301	>	*/
302	>	inline void div( const Vector<Real, Dim>& v1, Real s ) {
303	>	for (unsigned int i = 0; i < Dim; i++)
304	>	this->data_[i] = v1.data_[i] / s;
305	>	}
306
307	<	/** @see #sub */
308	<	inline Vector<Real, Dim>& operator -=( const Vector<Real, Dim>& v1 ) {
309	<	sub(v1);
310	<	return *this;
311	<	}
307	>	/**
308	>	* Sets the elements of this vector to the division of
309	>	* elements of two other vectors.  Not to be confused with scalar
310	>	* division (div)
311	>	*
312	>	* (*this.data_[i] =  v1.data_[i] / v2.data_[i]).
313	>	* @param v1 the first vector
314	>	* @param v2 the second vector
315	>	*/
316	>	inline void Vdiv( const Vector<Real, Dim>& v1, const Vector<Real, Dim>& v2) {
317	>	for (unsigned int i = 0; i < Dim; i++)
318	>	this->data_[i] = v1.data_[i] / v2.data_[i];
319	>	}
320
266	–	/** @see #mul */
267	–	inline Vector<Real, Dim>& operator *=( double s) {
268	–	mul(s);
269	–	return *this;
270	–	}
321
322	<	/** @see #div */
323	<	inline Vector<Real, Dim>& operator /=( double s ) {
324	<	div(s);
325	<	return *this;
326	<	}
322	>	/** @see #add */
323	>	inline Vector<Real, Dim>& operator +=( const Vector<Real, Dim>& v1 ) {
324	>	add(v1);
325	>	return *this;
326	>	}
327
328	<	/**
329	<	* Returns the length of this vector.
330	<	* @return the length of this vector
331	<	*/
332	<	inline double length() {
283	<	return sqrt(lengthSquared());
284	<	}
285	<
286	<	/**
287	<	* Returns the squared length of this vector.
288	<	* @return the squared length of this vector
289	<	*/
290	<	inline double lengthSquared() {
291	<	return dot(*this, *this);
292	<	}
293	<
294	<	/** Normalizes this vector in place */
295	<	inline void normalize() {
296	<	double len;
328	>	/** @see #sub */
329	>	inline Vector<Real, Dim>& operator -=( const Vector<Real, Dim>& v1 ) {
330	>	sub(v1);
331	>	return *this;
332	>	}
333
334	<	len = length();
335	<	*this /= len;
336	<	}
337	<
338	<	protected:
303	<	double data_[3];
304	<
305	<	};
334	>	/** @see #mul */
335	>	inline Vector<Real, Dim>& operator *=( Real s) {
336	>	mul(s);
337	>	return *this;
338	>	}
339
340	<	/** unary minus*/
341	<	template<typename Real, unsigned int Dim>
342	<	inline Vector<Real, Dim> operator -(const Vector<Real, Dim>& v1){
343	<	Vector tmp(v1);
311	<	return tmp.negate();
340	>	/** @see #div */
341	>	inline Vector<Real, Dim>& operator /=( Real s ) {
342	>	div(s);
343	>	return *this;
344		}
345
346		/**
347	<	* Return the sum of two vectors  (v1 - v2).
348	<	* @return the sum of two vectors
349	<	* @param v1 the first vector
350	<	* @param v2 the second vector
351	<	*/
352	<	template<typename Real, unsigned int Dim>
353	<	inline Vector<Real, Dim> operator +(const Vector<Real, Dim>& v1, const Vector<Real, Dim>& v2) {
354	<	Vector<Real, Dim> result;
355	<
324	<	result.add(v1, v2);
325	<	return result;
347	>	* Returns the sum of all elements of this vector.
348	>	* @return the sum of all elements of this vector
349	>	*/
350	>	inline Real sum() {
351	>	Real tmp;
352	>	tmp = 0;
353	>	for (unsigned int i = 0; i < Dim; i++)
354	>	tmp += this->data_[i];
355	>	return tmp;
356		}
357
358		/**
359	<	* Return the difference of two vectors  (v1 - v2).
360	<	* @return the difference of two vectors
361	<	* @param v1 the first vector
362	<	* @param v2 the second vector
363	<	*/
364	<	template<typename Real, unsigned int Dim>
365	<	Vector<Real, Dim> operator -(const Vector<Real, Dim>& v1, const Vector<Real, Dim>& v2) {
366	<	Vector<Real, Dim> result;
367	<	result.sub(v1, v2);
338	<	return result;
359	>	* Returns the product of all elements of this vector.
360	>	* @return the product of all elements of this vector
361	>	*/
362	>	inline Real componentProduct() {
363	>	Real tmp;
364	>	tmp = 1;
365	>	for (unsigned int i = 0; i < Dim; i++)
366	>	tmp *= this->data_[i];
367	>	return tmp;
368		}
369	<
369	>
370		/**
371	<	* Returns the vaule of scalar multiplication of this vector v1 (v1 * r).
372	<	* @return  the vaule of scalar multiplication of this vector
373	<	* @param v1 the source vector
374	<	* @param s the scalar value
375	<	*/
347	<	template<typename Real, unsigned int Dim>
348	<	Vector<Real, Dim> operator * ( const Vector<Real, Dim>& v1, double s) {
349	<	Vector<Real, Dim> result;
350	<	result.mul(s, v1);
351	<	return result;
371	>	* Returns the length of this vector.
372	>	* @return the length of this vector
373	>	*/
374	>	inline Real length() {
375	>	return sqrt(lengthSquare());
376		}
377	<
377	>
378		/**
379	<	* Returns the vaule of scalar multiplication of this vector v1 (v1 * r).
380	<	* @return  the vaule of scalar multiplication of this vector
381	<	* @param s the scalar value
382	<	* @param v1 the source vector
383	<	*/
360	<	template<typename Real, unsigned int Dim>
361	<	Vector<Real, Dim> operator * ( double s, const Vector<Real, Dim>& v1 ) {
362	<	Vector<Real, Dim> result;
363	<	result.mul(s, v1);
364	<	return result;
379	>	* Returns the squared length of this vector.
380	>	* @return the squared length of this vector
381	>	*/
382	>	inline Real lengthSquare() {
383	>	return dot(*this, *this);
384		}
385	+
386	+	/** Normalizes this vector in place */
387	+	inline void normalize() {
388	+	Real len;
389
390	<	/**
391	<	* Returns the  value of division of a vector by a scalar.
392	<	* @return  the vaule of scalar division of this vector
393	<	* @param v1 the source vector
394	<	* @param s the scalar value
395	<	*/
373	<	template<typename Real, unsigned int Dim>
374	<	Vector<Real, Dim> operator / ( const Vector<Real, Dim>& v1, double s) {
375	<	Vector<Real, Dim> result;
376	<	result.div( v1,s);
377	<	return result;
390	>	len = length();
391	>
392	>	//if (len < OpenMD::NumericConstant::epsilon)
393	>	//  throw();
394	>
395	>	*this /= len;
396		}
397	<
397	>
398		/**
399	<	* Returns the  value of division of a vector by a scalar.
400	<	* @return  the vaule of scalar division of this vector
383	<	* @param s the scalar value
384	<	* @param v1 the source vector
399	>	* Tests if this vector is normalized
400	>	* @return true if this vector is normalized, otherwise return false
401		*/
402	<	template<typename Real, unsigned int Dim>
403	<	inline Vector<Real, Dim> operator /( double s, const Vector<Real, Dim>& v1 ) {
404	<	Vector<Real, Dim> result;
389	<	result.div( v1,s);
390	<	return result;
391	<	}
402	>	inline bool isNormalized() {
403	>	return equal(lengthSquare(), (RealType)1);
404	>	}
405
406	<	/** fuzzy comparson */
407	<	template<typename Real, unsigned int Dim>
408	<	inline bool epsilonEqual( const Vector<Real, Dim>& v1, const Vector<Real, Dim>& v2 ) {
406	>	unsigned int size() {return Dim;}
407	>	protected:
408	>	Real data_[Dim];
409	>
410	>	};
411
412	<	}
412	>	/** unary minus*/
413	>	template<typename Real, unsigned int Dim>
414	>	inline Vector<Real, Dim> operator -(const Vector<Real, Dim>& v1){
415	>	Vector<Real, Dim> tmp(v1);
416	>	tmp.negate();
417	>	return tmp;
418	>	}
419
420	+	/**
421	+	* Return the sum of two vectors  (v1 - v2).
422	+	* @return the sum of two vectors
423	+	* @param v1 the first vector
424	+	* @param v2 the second vector
425	+	*/
426	+	template<typename Real, unsigned int Dim>
427	+	inline Vector<Real, Dim> operator +(const Vector<Real, Dim>& v1, const Vector<Real, Dim>& v2) {
428	+	Vector<Real, Dim> result;
429	+
430	+	result.add(v1, v2);
431	+	return result;
432	+	}
433	+
434	+	/**
435	+	* Return the difference of two vectors  (v1 - v2).
436	+	* @return the difference of two vectors
437	+	* @param v1 the first vector
438	+	* @param v2 the second vector
439	+	*/
440	+	template<typename Real, unsigned int Dim>
441	+	Vector<Real, Dim> operator -(const Vector<Real, Dim>& v1, const Vector<Real, Dim>& v2) {
442	+	Vector<Real, Dim> result;
443	+	result.sub(v1, v2);
444	+	return result;
445	+	}
446
447	<	/**
448	<	* Returns the dot product of two Vectors
449	<	* @param v1 first vector
450	<	* @param v2 second vector
451	<	* @return the dot product of v1 and v2
452	<	*/
453	<	template<typename Real, unsigned int Dim>
454	<	inline Real dot( const Vector<Real, Dim>& v1, const Vector<Real, Dim>& v2 ) {
455	<	Real tmp;
456	<	tmp = 0;
447	>	/**
448	>	* Returns the vaule of scalar multiplication of this vector v1 (v1 * r).
449	>	* @return  the vaule of scalar multiplication of this vector
450	>	* @param v1 the source vector
451	>	* @param s the scalar value
452	>	*/
453	>	template<typename Real, unsigned int Dim>
454	>	Vector<Real, Dim> operator * ( const Vector<Real, Dim>& v1, Real s) {
455	>	Vector<Real, Dim> result;
456	>	result.mul(v1,s);
457	>	return result;
458	>	}
459	>
460	>	/**
461	>	* Returns the vaule of scalar multiplication of this vector v1 (v1 * r).
462	>	* @return  the vaule of scalar multiplication of this vector
463	>	* @param s the scalar value
464	>	* @param v1 the source vector
465	>	*/
466	>	template<typename Real, unsigned int Dim>
467	>	Vector<Real, Dim> operator * ( Real s, const Vector<Real, Dim>& v1 ) {
468	>	Vector<Real, Dim> result;
469	>	result.mul(v1, s);
470	>	return result;
471	>	}
472
473	<	for (unsigned int i = 0; i < Dim; i++)
474	<	tmp += v1[i] + v2[i];
475	<
476	<	return tmp;
477	<	}
473	>	/**
474	>	* Returns the  value of division of a vector by a scalar.
475	>	* @return  the vaule of scalar division of this vector
476	>	* @param v1 the source vector
477	>	* @param s the scalar value
478	>	*/
479	>	template<typename Real, unsigned int Dim>
480	>	Vector<Real, Dim> operator / ( const Vector<Real, Dim>& v1, Real s) {
481	>	Vector<Real, Dim> result;
482	>	result.div( v1,s);
483	>	return result;
484	>	}
485	>
486	>	/**
487	>	* Returns the dot product of two Vectors
488	>	* @param v1 first vector
489	>	* @param v2 second vector
490	>	* @return the dot product of v1 and v2
491	>	*/
492	>	template<typename Real, unsigned int Dim>
493	>	inline Real dot( const Vector<Real, Dim>& v1, const Vector<Real, Dim>& v2 ) {
494	>	Real tmp;
495	>	tmp = 0;
496
497	<	/**
498	<	* Returns the distance between  two Vectors
419	<	* @param v1 first vector
420	<	* @param v2 second vector
421	<	* @return the distance between v1 and v2
422	<	*/
423	<	template<typename Real, unsigned int Dim>
424	<	inline Real distance( const Vector<Real, Dim>& v1, const Vector<Real, Dim>& v2 ) {
425	<	Vector<Real, Dim> tempVector = v1 - v2;
426	<	return tempVector.length();
427	<	}
497	>	for (unsigned int i = 0; i < Dim; i++)
498	>	tmp += v1[i] * v2[i];
499
500	<	/**
501	<	* Returns the squared distance between  two Vectors
431	<	* @param v1 first vector
432	<	* @param v2 second vector
433	<	* @return the squared distance between v1 and v2
434	<	*/
435	<	template<typename Real, unsigned int Dim>
436	<	inline Real distanceSquare( const Vector<Real, Dim>& v1, const Vector<Real, Dim>& v2 ) {
437	<	Vector<Real, Dim> tempVector = v1 - v2;
438	<	return tempVector.lengthSquare();
439	<	}
500	>	return tmp;
501	>	}
502
503	<	/**
504	<	* Write to an output stream
505	<	*/
506	<	template<typename Real, unsigned int Dim>
507	<	std::ostream &operator<< ( std::ostream& o, const Vector<Real, Dim>& v1 ) {
503	>
504	>
505	>
506	>	/**
507	>	* Returns the wide dot product of three Vectors.  Compare with
508	>	* Rapaport's VWDot function.
509	>	*
510	>	* @param v1 first vector
511	>	* @param v2 second vector
512	>	* @param v3 third vector
513	>	* @return the wide dot product of v1, v2, and v3.
514	>	*/
515	>	template<typename Real, unsigned int Dim>
516	>	inline Real dot( const Vector<Real, Dim>& v1, const Vector<Real, Dim>& v2, const Vector<Real, Dim>& v3 ) {
517	>	Real tmp;
518	>	tmp = 0;
519	>
520	>	for (unsigned int i = 0; i < Dim; i++)
521	>	tmp += v1[i] * v2[i] * v3[i];
522	>
523	>	return tmp;
524	>	}
525	>
526	>
527	>	/**
528	>	* Returns the distance between  two Vectors
529	>	* @param v1 first vector
530	>	* @param v2 second vector
531	>	* @return the distance between v1 and v2
532	>	*/
533	>	template<typename Real, unsigned int Dim>
534	>	inline Real distance( const Vector<Real, Dim>& v1, const Vector<Real, Dim>& v2 ) {
535	>	Vector<Real, Dim> tempVector = v1 - v2;
536	>	return tempVector.length();
537	>	}
538	>
539	>	/**
540	>	* Returns the squared distance between  two Vectors
541	>	* @param v1 first vector
542	>	* @param v2 second vector
543	>	* @return the squared distance between v1 and v2
544	>	*/
545	>	template<typename Real, unsigned int Dim>
546	>	inline Real distanceSquare( const Vector<Real, Dim>& v1, const Vector<Real, Dim>& v2 ) {
547	>	Vector<Real, Dim> tempVector = v1 - v2;
548	>	return tempVector.lengthSquare();
549	>	}
550	>
551	>	/**
552	>	* Write to an output stream
553	>	*/
554	>	template<typename Real, unsigned int Dim>
555	>	std::ostream &operator<< ( std::ostream& o, const Vector<Real, Dim>& v) {
556	>
557	>	o << "[ ";
558
559	<	return o;
559	>	for (unsigned int i = 0 ; i< Dim; i++) {
560	>	o << v[i];
561	>
562	>	if (i  != Dim -1) {
563	>	o<< ", ";
564	>	}
565		}
566	+
567	+	o << " ]";
568	+	return o;
569	+	}
570
571		}
572		#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 1665 by gezelter, Tue Nov 22 20:38:56 2011 UTC

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