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Comparing trunk/src/math/Vector.hpp (file contents):
Revision 253 by tim, Thu Jan 13 19:40:37 2005 UTC vs.
Revision 1782 by gezelter, Wed Aug 22 02:28:28 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	>	inline Vector(const Real& 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( Real* 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 Real& 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 Real& 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 Real& 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 Real& operator()(unsigned int i) const {
159	<	assert( i < Dim);
160	<	return data_[i];
161	<	}
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] = data_[i];
167	<	}
168	<	}
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 data_;
173	<	}
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) {
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(data_[i], v[i])) {
184	<	return false;
185	<	}
186	<	}
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	<	for (unsigned int i = 0; i < Dim; i++)
203	<	data_[i] = -data_[i];
204	<	}
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];
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;
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	<	* Return the sum of two vectors  (v1 - v2).
366	<	* @return the sum of two vectors
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	<	template<typename Real, unsigned int Dim>
231	<	inline Vector<Real, Dim> operator +(const Vector<Real, Dim>& v1, const Vector<Real, Dim>& v2) {
232	<	Vector<Real, Dim> result;
373	<
374	<	result.add(v1, v2);
375	<	return result;
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	<	* Return the difference of two vectors  (v1 - v2).
237	<	* @return the difference of two vectors
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	<	template<typename Real, unsigned int Dim>
250	<	Vector<Real, Dim> operator -(const Vector<Real, Dim>& v1, const Vector<Real, Dim>& v2) {
251	<	Vector<Real, Dim> result;
387	<	result.sub(v1, v2);
388	<	return result;
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	<
253	>
254		/**
255	<	* 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
255	>	* Sets the value of this vector to the scalar multiplication of itself (*this *= s).
256		* @param s the scalar value
257	<	*/
258	<	template<typename Real, unsigned int Dim>
259	<	Vector<Real, Dim> operator * ( const Vector<Real, Dim>& v1, Real s) {
260	<	Vector<Real, Dim> result;
400	<	result.mul(v1,s);
401	<	return result;
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 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 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	+	/* replaces the elements with the absolute values of those elements */
289	+	inline Vector<Real, Dim>& abs() {
290	+	for (unsigned int i = 0; i < Dim; i++) {
291	+	this->data_[i] = std::abs(this->data_[i]);
292	+	}
293	+	return *this;
294	+	}
295
296	+	/* returns the maximum value in this vector */
297	+	inline Real max() {
298	+	Real val = this->data_[0];
299	+	for (unsigned int i = 0; i < Dim; i++) {
300	+	if (this->data_[i] > val) val = this->data_[i];
301	+	}
302	+	return val;
303	+	}
304	+
305		/**
306	<	* Returns the vaule of scalar multiplication of this vector v1 (v1 * r).
406	<	* @return  the vaule of scalar multiplication of this vector
306	>	* Sets the value of this vector to the scalar division of itself  (*this /= s ).
307		* @param s the scalar value
308	<	* @param v1 the source vector
309	<	*/
310	<	template<typename Real, unsigned int Dim>
311	<	Vector<Real, Dim> operator * ( Real s, const Vector<Real, Dim>& v1 ) {
412	<	Vector<Real, Dim> result;
413	<	result.mul(v1, s);
414	<	return result;
308	>	*/
309	>	inline void div( Real s) {
310	>	for (unsigned int i = 0; i < Dim; i++)
311	>	this->data_[i] /= s;
312		}
313
314		/**
315	<	* Returns the  value of division of a vector by a scalar.
419	<	* @return  the vaule of scalar division of this vector
315	>	* Sets the value of this vector to the scalar division of vector v1  (*this = v1 / s ).
316		* @param v1 the source vector
317		* @param s the scalar value
318	<	*/
319	<	template<typename Real, unsigned int Dim>
320	<	Vector<Real, Dim> operator / ( const Vector<Real, Dim>& v1, Real s) {
321	<	Vector<Real, Dim> result;
426	<	result.div( v1,s);
427	<	return result;
318	>	*/
319	>	inline void div( const Vector<Real, Dim>& v1, Real s ) {
320	>	for (unsigned int i = 0; i < Dim; i++)
321	>	this->data_[i] = v1.data_[i] / s;
322		}
323	<
323	>
324		/**
325	<	* Returns the dot product of two Vectors
326	<	* @param v1 first vector
327	<	* @param v2 second vector
328	<	* @return the dot product of v1 and v2
325	>	* Sets the elements of this vector to the division of
326	>	* elements of two other vectors.  Not to be confused with scalar
327	>	* division (div)
328	>	*
329	>	* (*this.data_[i] =  v1.data_[i] / v2.data_[i]).
330	>	* @param v1 the first vector
331	>	* @param v2 the second vector
332		*/
333	<	template<typename Real, unsigned int Dim>
334	<	inline Real dot( const Vector<Real, Dim>& v1, const Vector<Real, Dim>& v2 ) {
335	<	Real tmp;
336	<	tmp = 0;
333	>	inline void Vdiv( const Vector<Real, Dim>& v1, const Vector<Real, Dim>& v2) {
334	>	for (unsigned int i = 0; i < Dim; i++)
335	>	this->data_[i] = v1.data_[i] / v2.data_[i];
336	>	}
337
441	–	for (unsigned int i = 0; i < Dim; i++)
442	–	tmp += v1[i] * v2[i];
338
339	<	return tmp;
339	>	/** @see #add */
340	>	inline Vector<Real, Dim>& operator +=( const Vector<Real, Dim>& v1 ) {
341	>	add(v1);
342	>	return *this;
343		}
344
345	+	/** @see #sub */
346	+	inline Vector<Real, Dim>& operator -=( const Vector<Real, Dim>& v1 ) {
347	+	sub(v1);
348	+	return *this;
349	+	}
350	+
351	+	/** @see #mul */
352	+	inline Vector<Real, Dim>& operator *=( Real s) {
353	+	mul(s);
354	+	return *this;
355	+	}
356	+
357	+	/** @see #div */
358	+	inline Vector<Real, Dim>& operator /=( Real s ) {
359	+	div(s);
360	+	return *this;
361	+	}
362	+
363		/**
364	<	* Returns the distance between  two Vectors
365	<	* @param v1 first vector
366	<	* @param v2 second vector
367	<	* @return the distance between v1 and v2
368	<	*/
369	<	template<typename Real, unsigned int Dim>
370	<	inline Real distance( const Vector<Real, Dim>& v1, const Vector<Real, Dim>& v2 ) {
371	<	Vector<Real, Dim> tempVector = v1 - v2;
372	<	return tempVector.length();
364	>	* Returns the sum of all elements of this vector.
365	>	* @return the sum of all elements of this vector
366	>	*/
367	>	inline Real sum() {
368	>	Real tmp;
369	>	tmp = 0;
370	>	for (unsigned int i = 0; i < Dim; i++)
371	>	tmp += this->data_[i];
372	>	return tmp;
373		}
374
375		/**
376	<	* Returns the squared distance between  two Vectors
377	<	* @param v1 first vector
462	<	* @param v2 second vector
463	<	* @return the squared distance between v1 and v2
376	>	* Returns the product of all elements of this vector.
377	>	* @return the product of all elements of this vector
378		*/
379	<	template<typename Real, unsigned int Dim>
380	<	inline Real distanceSquare( const Vector<Real, Dim>& v1, const Vector<Real, Dim>& v2 ) {
381	<	Vector<Real, Dim> tempVector = v1 - v2;
382	<	return tempVector.lengthSquare();
379	>	inline Real componentProduct() {
380	>	Real tmp;
381	>	tmp = 1;
382	>	for (unsigned int i = 0; i < Dim; i++)
383	>	tmp *= this->data_[i];
384	>	return tmp;
385		}
386	+
387	+	/**
388	+	* Returns the length of this vector.
389	+	* @return the length of this vector
390	+	*/
391	+	inline Real length() {
392	+	return sqrt(lengthSquare());
393	+	}
394	+
395	+	/**
396	+	* Returns the squared length of this vector.
397	+	* @return the squared length of this vector
398	+	*/
399	+	inline Real lengthSquare() {
400	+	return dot(*this, *this);
401	+	}
402	+
403	+	/** Normalizes this vector in place */
404	+	inline void normalize() {
405	+	Real len;
406
407	+	len = length();
408	+
409	+	//if (len < OpenMD::NumericConstant::epsilon)
410	+	//  throw();
411	+
412	+	*this /= len;
413	+	}
414	+
415		/**
416	<	* Write to an output stream
416	>	* Tests if this vector is normalized
417	>	* @return true if this vector is normalized, otherwise return false
418		*/
419	<	template<typename Real, unsigned int Dim>
420	<	std::ostream &operator<< ( std::ostream& o, const Vector<Real, Dim>& v) {
419	>	inline bool isNormalized() {
420	>	return equal(lengthSquare(), (RealType)1);
421	>	}
422
423	<	o << "[ ";
423	>	unsigned int size() {return Dim;}
424	>	protected:
425	>	Real data_[Dim];
426
427	<	for (unsigned int i = 0 ; i< Dim; i++) {
480	<	o << v[i];
427	>	};
428
429	<	if (i  != Dim -1) {
430	<	o<< ", ";
431	<	}
432	<	}
429	>	/** unary minus*/
430	>	template<typename Real, unsigned int Dim>
431	>	inline Vector<Real, Dim> operator -(const Vector<Real, Dim>& v1){
432	>	Vector<Real, Dim> tmp(v1);
433	>	tmp.negate();
434	>	return tmp;
435	>	}
436
437	<	o << " ]";
438	<	return o;
437	>	/**
438	>	* Return the sum of two vectors  (v1 - v2).
439	>	* @return the sum of two vectors
440	>	* @param v1 the first vector
441	>	* @param v2 the second vector
442	>	*/
443	>	template<typename Real, unsigned int Dim>
444	>	inline Vector<Real, Dim> operator +(const Vector<Real, Dim>& v1, const Vector<Real, Dim>& v2) {
445	>	Vector<Real, Dim> result;
446	>
447	>	result.add(v1, v2);
448	>	return result;
449	>	}
450	>
451	>	/**
452	>	* Return the difference of two vectors  (v1 - v2).
453	>	* @return the difference of two vectors
454	>	* @param v1 the first vector
455	>	* @param v2 the second vector
456	>	*/
457	>	template<typename Real, unsigned int Dim>
458	>	Vector<Real, Dim> operator -(const Vector<Real, Dim>& v1, const Vector<Real, Dim>& v2) {
459	>	Vector<Real, Dim> result;
460	>	result.sub(v1, v2);
461	>	return result;
462	>	}
463	>
464	>	/**
465	>	* Returns the vaule of scalar multiplication of this vector v1 (v1 * r).
466	>	* @return  the vaule of scalar multiplication of this vector
467	>	* @param v1 the source vector
468	>	* @param s the scalar value
469	>	*/
470	>	template<typename Real, unsigned int Dim>
471	>	Vector<Real, Dim> operator * ( const Vector<Real, Dim>& v1, Real s) {
472	>	Vector<Real, Dim> result;
473	>	result.mul(v1,s);
474	>	return result;
475	>	}
476	>
477	>	/**
478	>	* Returns the vaule of scalar multiplication of this vector v1 (v1 * r).
479	>	* @return  the vaule of scalar multiplication of this vector
480	>	* @param s the scalar value
481	>	* @param v1 the source vector
482	>	*/
483	>	template<typename Real, unsigned int Dim>
484	>	Vector<Real, Dim> operator * ( Real s, const Vector<Real, Dim>& v1 ) {
485	>	Vector<Real, Dim> result;
486	>	result.mul(v1, s);
487	>	return result;
488	>	}
489	>
490	>	/**
491	>	* Returns the  value of division of a vector by a scalar.
492	>	* @return  the vaule of scalar division of this vector
493	>	* @param v1 the source vector
494	>	* @param s the scalar value
495	>	*/
496	>	template<typename Real, unsigned int Dim>
497	>	Vector<Real, Dim> operator / ( const Vector<Real, Dim>& v1, Real s) {
498	>	Vector<Real, Dim> result;
499	>	result.div( v1,s);
500	>	return result;
501	>	}
502	>
503	>	/**
504	>	* Returns the dot product of two Vectors
505	>	* @param v1 first vector
506	>	* @param v2 second vector
507	>	* @return the dot product of v1 and v2
508	>	*/
509	>	template<typename Real, unsigned int Dim>
510	>	inline Real dot( const Vector<Real, Dim>& v1, const Vector<Real, Dim>& v2 ) {
511	>	Real tmp;
512	>	tmp = 0;
513	>
514	>	for (unsigned int i = 0; i < Dim; i++)
515	>	tmp += v1[i] * v2[i];
516	>
517	>	return tmp;
518	>	}
519	>
520	>
521	>
522	>
523	>	/**
524	>	* Returns the wide dot product of three Vectors.  Compare with
525	>	* Rapaport's VWDot function.
526	>	*
527	>	* @param v1 first vector
528	>	* @param v2 second vector
529	>	* @param v3 third vector
530	>	* @return the wide dot product of v1, v2, and v3.
531	>	*/
532	>	template<typename Real, unsigned int Dim>
533	>	inline Real dot( const Vector<Real, Dim>& v1, const Vector<Real, Dim>& v2, const Vector<Real, Dim>& v3 ) {
534	>	Real tmp;
535	>	tmp = 0;
536	>
537	>	for (unsigned int i = 0; i < Dim; i++)
538	>	tmp += v1[i] * v2[i] * v3[i];
539	>
540	>	return tmp;
541	>	}
542	>
543	>
544	>	/**
545	>	* Returns the distance between  two Vectors
546	>	* @param v1 first vector
547	>	* @param v2 second vector
548	>	* @return the distance between v1 and v2
549	>	*/
550	>	template<typename Real, unsigned int Dim>
551	>	inline Real distance( const Vector<Real, Dim>& v1, const Vector<Real, Dim>& v2 ) {
552	>	Vector<Real, Dim> tempVector = v1 - v2;
553	>	return tempVector.length();
554	>	}
555	>
556	>	/**
557	>	* Returns the squared distance between  two Vectors
558	>	* @param v1 first vector
559	>	* @param v2 second vector
560	>	* @return the squared distance between v1 and v2
561	>	*/
562	>	template<typename Real, unsigned int Dim>
563	>	inline Real distanceSquare( const Vector<Real, Dim>& v1, const Vector<Real, Dim>& v2 ) {
564	>	Vector<Real, Dim> tempVector = v1 - v2;
565	>	return tempVector.lengthSquare();
566	>	}
567	>
568	>	/**
569	>	* Write to an output stream
570	>	*/
571	>	template<typename Real, unsigned int Dim>
572	>	std::ostream &operator<< ( std::ostream& o, const Vector<Real, Dim>& v) {
573	>
574	>	o << "[ ";
575	>
576	>	for (unsigned int i = 0 ; i< Dim; i++) {
577	>	o << v[i];
578	>
579	>	if (i  != Dim -1) {
580	>	o<< ", ";
581	>	}
582		}
583	+
584	+	o << " ]";
585	+	return o;
586	+	}
587
588		}
589		#endif

Comparing trunk/src/math/Vector.hpp (property svn:keywords):
Revision 253 by tim, Thu Jan 13 19:40:37 2005 UTC vs.
Revision 1782 by gezelter, Wed Aug 22 02:28:28 2012 UTC

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