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root/OpenMD/branches/development/src/math/Vector.hpp

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trunk/src/math/Vector.hpp (file contents), Revision 253 by tim, Thu Jan 13 19:40:37 2005 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	<	/*
1	>	/*
2		* Copyright (c) 2005 The University of Notre Dame. All Rights Reserved.
3		*
4		* The University of Notre Dame grants you ("Licensee") a
#	Line 6 | Line 6
6		* redistribute this software in source and binary code form, provided
7		* that the following conditions are met:
8		*
9	<	* 1. Acknowledgement of the program authors must be made in any
10	<	*    publication of scientific results based in part on use of the
11	<	*    program.  An acceptable form of acknowledgement is citation of
12	<	*    the article in which the program was described (Matthew
13	<	*    A. Meineke, Charles F. Vardeman II, Teng Lin, Christopher
14	<	*    J. Fennell and J. Daniel Gezelter, "OOPSE: An Object-Oriented
15	<	*    Parallel Simulation Engine for Molecular Dynamics,"
16	<	*    J. Comput. Chem. 26, pp. 252-271 (2005))
17	<	*
18	<	* 2. Redistributions of source code must retain the above copyright
9	>	* 1. Redistributions of source code must retain the above copyright
10		*    notice, this list of conditions and the following disclaimer.
11		*
12	<	* 3. Redistributions in binary form must reproduce the above copyright
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.
#	Line 37 | Line 28
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
43		/**
#	Line 53 | Line 54
54		#include <cmath>
55		#include <iostream>
56		#include <math.h>
57	<	namespace oopse {
57	>	#include "config.h"
58	>	namespace OpenMD {
59
60	<	static const double epsilon = 0.000001;
60	>	static const RealType epsilon = 0.000001;
61
62	<	template<typename T>
63	<	inline bool equal(T e1, T e2) {
64	<	return e1 == e2;
65	<	}
62	>	template<typename T>
63	>	inline bool equal(T e1, T e2) {
64	>	return e1 == e2;
65	>	}
66
67	<	template<>
68	<	inline bool equal(float e1, float e2) {
69	<	return fabs(e1 - e2) < epsilon;
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(double e1, double e2) {
74	<	return fabs(e1 - e2) < epsilon;
75	<	}
74	<
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	<	typedef Real ElemType;
86	<	typedef Real* ElemPoinerType;
85	>	typedef Real ElemType;
86	>	typedef Real* ElemPoinerType;
87
88	<	/** default constructor */
89	<	inline Vector(){
90	<	for (unsigned int i = 0; i < Dim; i++)
91	<	data_[i] = 0;
92	<	}
88	>	/** default constructor */
89	>	inline Vector(){
90	>	for (unsigned int i = 0; i < Dim; i++)
91	>	this->data_[i] = 0;
92	>	}
93
94	<	/** Constructs and initializes a Vector from a vector */
95	<	inline Vector(const Vector<Real, Dim>& v) {
96	<	*this  = v;
97	<	}
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;
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	<	data_[i] = s;
114	<	}
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( Real* 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 Real& 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 Real& 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 Real& 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 Real& operator()(unsigned int i) const {
158	<	assert( i < Dim);
159	<	return data_[i];
160	<	}
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	<	/** Copy the internal data to an array*/
163	<	void getArray(Real* array) {
164	<	for (unsigned int i = 0; i < Dim; i ++) {
165	<	array[i] = data_[i];
166	<	}
167	<	}
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	<	/** Returns the pointer of internal array */
170	<	Real* getArrayPointer() {
171	<	return data_;
172	<	}
169	>	/** Returns the pointer of internal array */
170	>	Real* getArrayPointer() {
171	>	return this->data_;
172	>	}
173
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) {
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	<	for (unsigned int i = 0; i < Dim; i ++) {
182	<	if (!equal(data_[i], v[i])) {
183	<	return false;
184	<	}
185	<	}
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	<	}
187	>	return true;
188	>	}
189
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	<	}
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	<	data_[i] = -data_[i];
203	<	}
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 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	<	data_[i] = -v1.data_[i];
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	<	}
213	>	}
214
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	<	data_[i] += v1.data_[i];
221	<	}
222	<
223	<	/**
224	<	* Sets the value of this vector to the sum of v1 and v2 (*this = v1 + v2).
225	<	* @param v1 the first vector
226	<	* @param v2 the second vector
227	<	*/
228	<	inline void add( const Vector<Real, Dim>& v1, const Vector<Real, Dim>& v2 ) {
229	<	for (unsigned int i = 0; i < Dim; i++)
230	<	data_[i] = v1.data_[i] + v2.data_[i];
231	<	}
232	<
233	<	/**
234	<	* Sets the value of this vector to the difference  of itself and v1 (*this -= v1).
235	<	* @param v1 the other vector
236	<	*/
237	<	inline void sub( const Vector<Real, Dim>& v1 ) {
238	<	for (unsigned int i = 0; i < Dim; i++)
239	<	data_[i] -= v1.data_[i];
240	<	}
241	<
242	<	/**
243	<	* Sets the value of this vector to the difference of vector v1 and v2 (*this = v1 - v2).
244	<	* @param v1 the first vector
245	<	* @param v2 the second vector
246	<	*/
247	<	inline void sub( const Vector<Real, Dim>& v1, const Vector  &v2 ){
248	<	for (unsigned int i = 0; i < Dim; i++)
249	<	data_[i] = v1.data_[i] - v2.data_[i];
250	<	}
251	<
252	<	/**
253	<	* Sets the value of this vector to the scalar multiplication of itself (*this *= s).
254	<	* @param s the scalar value
255	<	*/
256	<	inline void mul( Real s ) {
257	<	for (unsigned int i = 0; i < Dim; i++)
258	<	data_[i] *= s;
259	<	}
260	<
261	<	/**
262	<	* Sets the value of this vector to the scalar multiplication of vector v1
263	<	* (*this = s * v1).
264	<	* @param v1 the vector
265	<	* @param s the scalar value
266	<	*/
267	<	inline void mul( const Vector<Real, Dim>& v1, Real s) {
268	<	for (unsigned int i = 0; i < Dim; i++)
269	<	data_[i] = s * v1.data_[i];
270	<	}
271	<
272	<	/**
273	<	* Sets the value of this vector to the scalar division of itself  (*this /= s ).
274	<	* @param s the scalar value
275	<	*/
276	<	inline void div( Real s) {
277	<	for (unsigned int i = 0; i < Dim; i++)
278	<	data_[i] /= s;
279	<	}
280	<
281	<	/**
282	<	* Sets the value of this vector to the scalar division of vector v1  (*this = v1 / s ).
283	<	* @param v1 the source vector
284	<	* @param s the scalar value
285	<	*/
286	<	inline void div( const Vector<Real, Dim>& v1, Real s ) {
287	<	for (unsigned int i = 0; i < Dim; i++)
288	<	data_[i] = v1.data_[i] / s;
289	<	}
290	<
291	<	/** @see #add */
292	<	inline Vector<Real, Dim>& operator +=( const Vector<Real, Dim>& v1 ) {
293	<	add(v1);
294	<	return *this;
295	<	}
296	<
297	<	/** @see #sub */
298	<	inline Vector<Real, Dim>& operator -=( const Vector<Real, Dim>& v1 ) {
299	<	sub(v1);
300	<	return *this;
301	<	}
302	<
303	<	/** @see #mul */
304	<	inline Vector<Real, Dim>& operator *=( Real s) {
305	<	mul(s);
306	<	return *this;
307	<	}
308	<
309	<	/** @see #div */
310	<	inline Vector<Real, Dim>& operator /=( Real s ) {
311	<	div(s);
312	<	return *this;
313	<	}
314	<
315	<	/**
316	<	* Returns the length of this vector.
317	<	* @return the length of this vector
318	<	*/
319	<	inline Real length() {
320	<	return sqrt(lengthSquare());
321	<	}
322	<
323	<	/**
324	<	* Returns the squared length of this vector.
325	<	* @return the squared length of this vector
326	<	*/
327	<	inline Real lengthSquare() {
328	<	return dot(*this, *this);
329	<	}
330	<
331	<	/** Normalizes this vector in place */
332	<	inline void normalize() {
333	<	Real len;
334	<
335	<	len = length();
336	<
337	<	//if (len < oopse:epsilon)
338	<	//  throw();
339	<
340	<	*this /= len;
341	<	}
342	<
343	<	/**
344	<	* Tests if this vector is normalized
345	<	* @return true if this vector is normalized, otherwise return false
346	<	*/
347	<	inline bool isNormalized() {
348	<	return equal(lengthSquare(), 1.0);
349	<	}
350	<
351	<	protected:
352	<	Real data_[Dim];
353	<
354	<	};
355	<
356	<	/** unary minus*/
357	<	template<typename Real, unsigned int Dim>
358	<	inline Vector<Real, Dim> operator -(const Vector<Real, Dim>& v1){
359	<	Vector<Real, Dim> tmp(v1);
360	<	tmp.negate();
361	<	return tmp;
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).
366	<	* @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;
373	<
374	<	result.add(v1, v2);
375	<	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;
387	<	result.sub(v1, v2);
388	<	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).
393	<	* @return  the vaule of scalar multiplication of this vector
394	<	* @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, Real s) {
259	<	Vector<Real, Dim> result;
400	<	result.mul(v1,s);
401	<	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	+
262	+	/**
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	+	*/
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	+	* 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	+	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 vaule of scalar multiplication of this vector v1 (v1 * r).
406	<	* @return  the vaule of scalar multiplication 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	<	* @param v1 the source vector
308	<	*/
309	<	template<typename Real, unsigned int Dim>
310	<	Vector<Real, Dim> operator * ( Real s, const Vector<Real, Dim>& v1 ) {
412	<	Vector<Real, Dim> result;
413	<	result.mul(v1, s);
414	<	return result;
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	<	* Returns the  value of division of a vector by a scalar.
419	<	* @return  the vaule of scalar division of this vector
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	<	template<typename Real, unsigned int Dim>
319	<	Vector<Real, Dim> operator / ( const Vector<Real, Dim>& v1, Real s) {
320	<	Vector<Real, Dim> result;
426	<	result.div( v1,s);
427	<	return result;
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	<
322	>
323		/**
324	<	* Returns the dot product of two Vectors
325	<	* @param v1 first vector
326	<	* @param v2 second vector
327	<	* @return the dot product of v1 and v2
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 Real dot( const Vector<Real, Dim>& v1, const Vector<Real, Dim>& v2 ) {
334	<	Real tmp;
335	<	tmp = 0;
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
441	–	for (unsigned int i = 0; i < Dim; i++)
442	–	tmp += v1[i] * v2[i];
337
338	<	return tmp;
338	>	/** @see #add */
339	>	inline Vector<Real, Dim>& operator +=( const Vector<Real, Dim>& v1 ) {
340	>	add(v1);
341	>	return *this;
342		}
343
344	+	/** @see #sub */
345	+	inline Vector<Real, Dim>& operator -=( const Vector<Real, Dim>& v1 ) {
346	+	sub(v1);
347	+	return *this;
348	+	}
349	+
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
462	<	* @param v2 second vector
463	<	* @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>& v) {
418	>	inline bool isNormalized() {
419	>	return equal(lengthSquare(), (RealType)1);
420	>	}
421
422	<	o << "[ ";
422	>	unsigned int size() {return Dim;}
423	>	protected:
424	>	Real data_[Dim];
425
426	<	for (unsigned int i = 0 ; i< Dim; i++) {
480	<	o << v[i];
426	>	};
427
428	<	if (i  != Dim -1) {
429	<	o<< ", ";
430	<	}
431	<	}
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	<	o << " ]";
437	<	return o;
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 253 by tim, Thu Jan 13 19:40:37 2005 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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