ViewVC Help

View File | Revision Log | Show Annotations | View Changeset | Root Listing

root/OpenMD/trunk/src/math/Vector.hpp

Comparing trunk/src/math/Vector.hpp (file contents):
Revision 253 by tim, Thu Jan 13 19:40:37 2005 UTC vs.
Revision 1879 by gezelter, Sun Jun 16 15:15:42 2013 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, 234107 (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	>	/** Zeros out the values in this vector in place */
201	>	inline void zero() {
202	>	for (unsigned int i = 0; i < Dim; i++)
203	>	this->data_[i] = 0;
204	>	}
205
206	<	/** Negates the value of this vector in place. */
207	<	inline void negate() {
208	<	for (unsigned int i = 0; i < Dim; i++)
209	<	data_[i] = -data_[i];
210	<	}
206	>	/** Negates the value of this vector in place. */
207	>	inline void negate() {
208	>	for (unsigned int i = 0; i < Dim; i++)
209	>	this->data_[i] = -this->data_[i];
210	>	}
211
212	<	/**
213	<	* Sets the value of this vector to the negation of vector v1.
214	<	* @param v1 the source vector
215	<	*/
216	<	inline void negate(const Vector<Real, Dim>& v1) {
217	<	for (unsigned int i = 0; i < Dim; i++)
218	<	data_[i] = -v1.data_[i];
212	>	/**
213	>	* Sets the value of this vector to the negation of vector v1.
214	>	* @param v1 the source vector
215	>	*/
216	>	inline void negate(const Vector<Real, Dim>& v1) {
217	>	for (unsigned int i = 0; i < Dim; i++)
218	>	this->data_[i] = -v1.data_[i];
219
220	<	}
220	>	}
221
222	<	/**
223	<	* Sets the value of this vector to the sum of itself and v1 (*this += v1).
224	<	* @param v1 the other vector
225	<	*/
226	<	inline void add( const Vector<Real, Dim>& v1 ) {
227	<	for (unsigned int i = 0; i < Dim; i++)
228	<	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;
222	>	/**
223	>	* Sets the value of this vector to the sum of itself and v1 (*this += v1).
224	>	* @param v1 the other vector
225	>	*/
226	>	inline void add( const Vector<Real, Dim>& v1 ) {
227	>	for (unsigned int i = 0; i < Dim; i++)
228	>	this->data_[i] += v1.data_[i];
229		}
230
231		/**
232	<	* Return the sum of two vectors  (v1 - v2).
366	<	* @return the sum of two vectors
232	>	* Sets the value of this vector to the sum of v1 and v2 (*this = v1 + v2).
233		* @param v1 the first vector
234		* @param v2 the second vector
235	<	*/
236	<	template<typename Real, unsigned int Dim>
237	<	inline Vector<Real, Dim> operator +(const Vector<Real, Dim>& v1, const Vector<Real, Dim>& v2) {
238	<	Vector<Real, Dim> result;
373	<
374	<	result.add(v1, v2);
375	<	return result;
235	>	*/
236	>	inline void add( const Vector<Real, Dim>& v1, const Vector<Real, Dim>& v2 ) {
237	>	for (unsigned int i = 0; i < Dim; i++)
238	>	this->data_[i] = v1.data_[i] + v2.data_[i];
239		}
240
241		/**
242	<	* Return the difference of two vectors  (v1 - v2).
243	<	* @return the difference of two vectors
242	>	* Sets the value of this vector to the difference  of itself and v1 (*this -= v1).
243	>	* @param v1 the other vector
244	>	*/
245	>	inline void sub( const Vector<Real, Dim>& v1 ) {
246	>	for (unsigned int i = 0; i < Dim; i++)
247	>	this->data_[i] -= v1.data_[i];
248	>	}
249	>
250	>	/**
251	>	* Sets the value of this vector to the difference of vector v1 and v2 (*this = v1 - v2).
252		* @param v1 the first vector
253		* @param v2 the second vector
254	<	*/
255	<	template<typename Real, unsigned int Dim>
256	<	Vector<Real, Dim> operator -(const Vector<Real, Dim>& v1, const Vector<Real, Dim>& v2) {
257	<	Vector<Real, Dim> result;
387	<	result.sub(v1, v2);
388	<	return result;
254	>	*/
255	>	inline void sub( const Vector<Real, Dim>& v1, const Vector  &v2 ){
256	>	for (unsigned int i = 0; i < Dim; i++)
257	>	this->data_[i] = v1.data_[i] - v2.data_[i];
258		}
259	<
259	>
260		/**
261	<	* 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
261	>	* Sets the value of this vector to the scalar multiplication of itself (*this *= s).
262		* @param s the scalar value
263	<	*/
264	<	template<typename Real, unsigned int Dim>
265	<	Vector<Real, Dim> operator * ( const Vector<Real, Dim>& v1, Real s) {
266	<	Vector<Real, Dim> result;
400	<	result.mul(v1,s);
401	<	return result;
263	>	*/
264	>	inline void mul( Real s ) {
265	>	for (unsigned int i = 0; i < Dim; i++)
266	>	this->data_[i] *= s;
267		}
268	+
269	+	/**
270	+	* Sets the value of this vector to the scalar multiplication of vector v1
271	+	* (*this = s * v1).
272	+	* @param v1 the vector
273	+	* @param s the scalar value
274	+	*/
275	+	inline void mul( const Vector<Real, Dim>& v1, Real s) {
276	+	for (unsigned int i = 0; i < Dim; i++)
277	+	this->data_[i] = s * v1.data_[i];
278	+	}
279	+
280	+	/**
281	+	* Sets the elements of this vector to the multiplication of
282	+	* elements of two other vectors.  Not to be confused with scalar
283	+	* multiplication (mul) or dot products.
284	+	*
285	+	* (*this.data_[i] =  v1.data_[i] * v2.data_[i]).
286	+	* @param v1 the first vector
287	+	* @param v2 the second vector
288	+	*/
289	+	inline void Vmul( const Vector<Real, Dim>& v1, const Vector<Real, Dim>& v2) {
290	+	for (unsigned int i = 0; i < Dim; i++)
291	+	this->data_[i] = v1.data_[i] * v2.data_[i];
292	+	}
293	+
294	+	/* replaces the elements with the absolute values of those elements */
295	+	inline Vector<Real, Dim>& abs() {
296	+	for (unsigned int i = 0; i < Dim; i++) {
297	+	this->data_[i] = std::abs(this->data_[i]);
298	+	}
299	+	return *this;
300	+	}
301
302	+	/* returns the maximum value in this vector */
303	+	inline Real max() {
304	+	Real val = this->data_[0];
305	+	for (unsigned int i = 0; i < Dim; i++) {
306	+	if (this->data_[i] > val) val = this->data_[i];
307	+	}
308	+	return val;
309	+	}
310	+
311		/**
312	<	* Returns the vaule of scalar multiplication of this vector v1 (v1 * r).
406	<	* @return  the vaule of scalar multiplication of this vector
312	>	* Sets the value of this vector to the scalar division of itself  (*this /= s ).
313		* @param s the scalar value
314	<	* @param v1 the source vector
315	<	*/
316	<	template<typename Real, unsigned int Dim>
317	<	Vector<Real, Dim> operator * ( Real s, const Vector<Real, Dim>& v1 ) {
412	<	Vector<Real, Dim> result;
413	<	result.mul(v1, s);
414	<	return result;
314	>	*/
315	>	inline void div( Real s) {
316	>	for (unsigned int i = 0; i < Dim; i++)
317	>	this->data_[i] /= s;
318		}
319
320		/**
321	<	* Returns the  value of division of a vector by a scalar.
419	<	* @return  the vaule of scalar division of this vector
321	>	* Sets the value of this vector to the scalar division of vector v1  (*this = v1 / s ).
322		* @param v1 the source vector
323		* @param s the scalar value
324	<	*/
325	<	template<typename Real, unsigned int Dim>
326	<	Vector<Real, Dim> operator / ( const Vector<Real, Dim>& v1, Real s) {
327	<	Vector<Real, Dim> result;
426	<	result.div( v1,s);
427	<	return result;
324	>	*/
325	>	inline void div( const Vector<Real, Dim>& v1, Real s ) {
326	>	for (unsigned int i = 0; i < Dim; i++)
327	>	this->data_[i] = v1.data_[i] / s;
328		}
329	<
329	>
330		/**
331	<	* Returns the dot product of two Vectors
332	<	* @param v1 first vector
333	<	* @param v2 second vector
334	<	* @return the dot product of v1 and v2
331	>	* Sets the elements of this vector to the division of
332	>	* elements of two other vectors.  Not to be confused with scalar
333	>	* division (div)
334	>	*
335	>	* (*this.data_[i] =  v1.data_[i] / v2.data_[i]).
336	>	* @param v1 the first vector
337	>	* @param v2 the second vector
338		*/
339	<	template<typename Real, unsigned int Dim>
340	<	inline Real dot( const Vector<Real, Dim>& v1, const Vector<Real, Dim>& v2 ) {
341	<	Real tmp;
342	<	tmp = 0;
339	>	inline void Vdiv( const Vector<Real, Dim>& v1, const Vector<Real, Dim>& v2) {
340	>	for (unsigned int i = 0; i < Dim; i++)
341	>	this->data_[i] = v1.data_[i] / v2.data_[i];
342	>	}
343
441	–	for (unsigned int i = 0; i < Dim; i++)
442	–	tmp += v1[i] * v2[i];
344
345	<	return tmp;
345	>	/** @see #add */
346	>	inline Vector<Real, Dim>& operator +=( const Vector<Real, Dim>& v1 ) {
347	>	add(v1);
348	>	return *this;
349		}
350
351	+	/** @see #sub */
352	+	inline Vector<Real, Dim>& operator -=( const Vector<Real, Dim>& v1 ) {
353	+	sub(v1);
354	+	return *this;
355	+	}
356	+
357	+	/** @see #mul */
358	+	inline Vector<Real, Dim>& operator *=( Real s) {
359	+	mul(s);
360	+	return *this;
361	+	}
362	+
363	+	/** @see #div */
364	+	inline Vector<Real, Dim>& operator /=( Real s ) {
365	+	div(s);
366	+	return *this;
367	+	}
368	+
369		/**
370	<	* Returns the distance between  two Vectors
371	<	* @param v1 first vector
372	<	* @param v2 second vector
373	<	* @return the distance between v1 and v2
374	<	*/
375	<	template<typename Real, unsigned int Dim>
376	<	inline Real distance( const Vector<Real, Dim>& v1, const Vector<Real, Dim>& v2 ) {
377	<	Vector<Real, Dim> tempVector = v1 - v2;
378	<	return tempVector.length();
370	>	* Returns the sum of all elements of this vector.
371	>	* @return the sum of all elements of this vector
372	>	*/
373	>	inline Real sum() {
374	>	Real tmp;
375	>	tmp = 0;
376	>	for (unsigned int i = 0; i < Dim; i++)
377	>	tmp += this->data_[i];
378	>	return tmp;
379		}
380
381		/**
382	<	* Returns the squared distance between  two Vectors
383	<	* @param v1 first vector
462	<	* @param v2 second vector
463	<	* @return the squared distance between v1 and v2
382	>	* Returns the product of all elements of this vector.
383	>	* @return the product of all elements of this vector
384		*/
385	<	template<typename Real, unsigned int Dim>
386	<	inline Real distanceSquare( const Vector<Real, Dim>& v1, const Vector<Real, Dim>& v2 ) {
387	<	Vector<Real, Dim> tempVector = v1 - v2;
388	<	return tempVector.lengthSquare();
385	>	inline Real componentProduct() {
386	>	Real tmp;
387	>	tmp = 1;
388	>	for (unsigned int i = 0; i < Dim; i++)
389	>	tmp *= this->data_[i];
390	>	return tmp;
391		}
392	+
393	+	/**
394	+	* Returns the length of this vector.
395	+	* @return the length of this vector
396	+	*/
397	+	inline Real length() {
398	+	return sqrt(lengthSquare());
399	+	}
400	+
401	+	/**
402	+	* Returns the squared length of this vector.
403	+	* @return the squared length of this vector
404	+	*/
405	+	inline Real lengthSquare() {
406	+	return dot(*this, *this);
407	+	}
408	+
409	+	/** Normalizes this vector in place */
410	+	inline void normalize() {
411	+	Real len;
412
413	+	len = length();
414	+
415	+	//if (len < OpenMD::NumericConstant::epsilon)
416	+	//  throw();
417	+
418	+	*this /= len;
419	+	}
420	+
421		/**
422	<	* Write to an output stream
422	>	* Tests if this vector is normalized
423	>	* @return true if this vector is normalized, otherwise return false
424		*/
425	<	template<typename Real, unsigned int Dim>
426	<	std::ostream &operator<< ( std::ostream& o, const Vector<Real, Dim>& v) {
425	>	inline bool isNormalized() {
426	>	return equal(lengthSquare(), (RealType)1);
427	>	}
428
429	<	o << "[ ";
429	>	unsigned int size() {return Dim;}
430	>	protected:
431	>	Real data_[Dim];
432
433	<	for (unsigned int i = 0 ; i< Dim; i++) {
480	<	o << v[i];
433	>	};
434
435	<	if (i  != Dim -1) {
436	<	o<< ", ";
437	<	}
438	<	}
435	>	/** unary minus*/
436	>	template<typename Real, unsigned int Dim>
437	>	inline Vector<Real, Dim> operator -(const Vector<Real, Dim>& v1){
438	>	Vector<Real, Dim> tmp(v1);
439	>	tmp.negate();
440	>	return tmp;
441	>	}
442
443	<	o << " ]";
444	<	return o;
443	>	/**
444	>	* Return the sum of two vectors  (v1 - v2).
445	>	* @return the sum of two vectors
446	>	* @param v1 the first vector
447	>	* @param v2 the second vector
448	>	*/
449	>	template<typename Real, unsigned int Dim>
450	>	inline Vector<Real, Dim> operator +(const Vector<Real, Dim>& v1, const Vector<Real, Dim>& v2) {
451	>	Vector<Real, Dim> result;
452	>
453	>	result.add(v1, v2);
454	>	return result;
455	>	}
456	>
457	>	/**
458	>	* Return the difference of two vectors  (v1 - v2).
459	>	* @return the difference of two vectors
460	>	* @param v1 the first vector
461	>	* @param v2 the second vector
462	>	*/
463	>	template<typename Real, unsigned int Dim>
464	>	Vector<Real, Dim> operator -(const Vector<Real, Dim>& v1, const Vector<Real, Dim>& v2) {
465	>	Vector<Real, Dim> result;
466	>	result.sub(v1, v2);
467	>	return result;
468	>	}
469	>
470	>	/**
471	>	* Returns the vaule of scalar multiplication of this vector v1 (v1 * r).
472	>	* @return  the vaule of scalar multiplication of this vector
473	>	* @param v1 the source vector
474	>	* @param s the scalar value
475	>	*/
476	>	template<typename Real, unsigned int Dim>
477	>	Vector<Real, Dim> operator * ( const Vector<Real, Dim>& v1, Real s) {
478	>	Vector<Real, Dim> result;
479	>	result.mul(v1,s);
480	>	return result;
481	>	}
482	>
483	>	/**
484	>	* Returns the vaule of scalar multiplication of this vector v1 (v1 * r).
485	>	* @return  the vaule of scalar multiplication of this vector
486	>	* @param s the scalar value
487	>	* @param v1 the source vector
488	>	*/
489	>	template<typename Real, unsigned int Dim>
490	>	Vector<Real, Dim> operator * ( Real s, const Vector<Real, Dim>& v1 ) {
491	>	Vector<Real, Dim> result;
492	>	result.mul(v1, s);
493	>	return result;
494	>	}
495	>
496	>	/**
497	>	* Returns the  value of division of a vector by a scalar.
498	>	* @return  the vaule of scalar division of this vector
499	>	* @param v1 the source vector
500	>	* @param s the scalar value
501	>	*/
502	>	template<typename Real, unsigned int Dim>
503	>	Vector<Real, Dim> operator / ( const Vector<Real, Dim>& v1, Real s) {
504	>	Vector<Real, Dim> result;
505	>	result.div( v1,s);
506	>	return result;
507	>	}
508	>
509	>	/**
510	>	* Returns the dot product of two Vectors
511	>	* @param v1 first vector
512	>	* @param v2 second vector
513	>	* @return the dot product of v1 and v2
514	>	*/
515	>	template<typename Real, unsigned int Dim>
516	>	inline Real dot( const Vector<Real, Dim>& v1, const Vector<Real, Dim>& v2 ) {
517	>	Real tmp;
518	>	tmp = 0;
519	>
520	>	for (unsigned int i = 0; i < Dim; i++)
521	>	tmp += v1[i] * v2[i];
522	>
523	>	return tmp;
524	>	}
525	>
526	>
527	>
528	>
529	>	/**
530	>	* Returns the wide dot product of three Vectors.  Compare with
531	>	* Rapaport's VWDot function.
532	>	*
533	>	* @param v1 first vector
534	>	* @param v2 second vector
535	>	* @param v3 third vector
536	>	* @return the wide dot product of v1, v2, and v3.
537	>	*/
538	>	template<typename Real, unsigned int Dim>
539	>	inline Real dot( const Vector<Real, Dim>& v1, const Vector<Real, Dim>& v2, const Vector<Real, Dim>& v3 ) {
540	>	Real tmp;
541	>	tmp = 0;
542	>
543	>	for (unsigned int i = 0; i < Dim; i++)
544	>	tmp += v1[i] * v2[i] * v3[i];
545	>
546	>	return tmp;
547	>	}
548	>
549	>
550	>	/**
551	>	* Returns the distance between  two Vectors
552	>	* @param v1 first vector
553	>	* @param v2 second vector
554	>	* @return the distance between v1 and v2
555	>	*/
556	>	template<typename Real, unsigned int Dim>
557	>	inline Real distance( const Vector<Real, Dim>& v1, const Vector<Real, Dim>& v2 ) {
558	>	Vector<Real, Dim> tempVector = v1 - v2;
559	>	return tempVector.length();
560	>	}
561	>
562	>	/**
563	>	* Returns the squared distance between  two Vectors
564	>	* @param v1 first vector
565	>	* @param v2 second vector
566	>	* @return the squared distance between v1 and v2
567	>	*/
568	>	template<typename Real, unsigned int Dim>
569	>	inline Real distanceSquare( const Vector<Real, Dim>& v1, const Vector<Real, Dim>& v2 ) {
570	>	Vector<Real, Dim> tempVector = v1 - v2;
571	>	return tempVector.lengthSquare();
572	>	}
573	>
574	>	/**
575	>	* Write to an output stream
576	>	*/
577	>	template<typename Real, unsigned int Dim>
578	>	std::ostream &operator<< ( std::ostream& o, const Vector<Real, Dim>& v) {
579	>
580	>	o << "[ ";
581	>
582	>	for (unsigned int i = 0 ; i< Dim; i++) {
583	>	o << v[i];
584	>
585	>	if (i  != Dim -1) {
586	>	o<< ", ";
587	>	}
588		}
589	+
590	+	o << " ]";
591	+	return o;
592	+	}
593
594		}
595		#endif

Comparing trunk/src/math/Vector.hpp (property svn:keywords):
Revision 253 by tim, Thu Jan 13 19:40:37 2005 UTC vs.
Revision 1879 by gezelter, Sun Jun 16 15:15:42 2013 UTC

#	Line 0 | Line 1
1	+	Author Id Revision Date

Diff Legend

–	Removed lines
+	Added lines
<	Changed lines
>	Changed lines