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root/group/trunk/OOPSE-4/src/math/Vector.hpp
Revision: 2588
Committed: Fri Feb 10 15:12:14 2006 UTC (18 years, 4 months ago) by tim
File size: 13770 byte(s)
Log Message:
fix a bug in converting integer to double

File Contents

# Content
1 /*
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. 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
19 * notice, this list of conditions and the following disclaimer.
20 *
21 * 3. Redistributions in binary form must reproduce the above copyright
22 * notice, this list of conditions and the following disclaimer in the
23 * documentation and/or other materials provided with the
24 * distribution.
25 *
26 * This software is provided "AS IS," without a warranty of any
27 * kind. All express or implied conditions, representations and
28 * warranties, including any implied warranty of merchantability,
29 * fitness for a particular purpose or non-infringement, are hereby
30 * excluded. The University of Notre Dame and its licensors shall not
31 * be liable for any damages suffered by licensee as a result of
32 * using, modifying or distributing the software or its
33 * derivatives. In no event will the University of Notre Dame or its
34 * licensors be liable for any lost revenue, profit or data, or for
35 * direct, indirect, special, consequential, incidental or punitive
36 * damages, however caused and regardless of the theory of liability,
37 * arising out of the use of or inability to use software, even if the
38 * University of Notre Dame has been advised of the possibility of
39 * such damages.
40 */
41
42 /**
43 * @file Vector.hpp
44 * @author Teng Lin
45 * @date 09/14/2004
46 * @version 1.0
47 */
48
49 #ifndef MATH_VECTOR_HPP
50 #define MATH_VECTOR_HPP
51
52 #include <cassert>
53 #include <cmath>
54 #include <iostream>
55 #include <math.h>
56 namespace oopse {
57
58 static const double epsilon = 0.000001;
59
60 template<typename T>
61 inline bool equal(T e1, T e2) {
62 return e1 == e2;
63 }
64
65 template<>
66 inline bool equal(float e1, float e2) {
67 return fabs(e1 - e2) < epsilon;
68 }
69
70 template<>
71 inline bool equal(double e1, double e2) {
72 return fabs(e1 - e2) < epsilon;
73 }
74
75
76 /**
77 * @class Vector Vector.hpp "math/Vector.hpp"
78 * @brief Fix length vector class
79 */
80 template<typename Real, unsigned int Dim>
81 class Vector{
82 public:
83
84 typedef Real ElemType;
85 typedef Real* ElemPoinerType;
86
87 /** default constructor */
88 inline Vector(){
89 for (unsigned int i = 0; i < Dim; i++)
90 this->data_[i] = 0;
91 }
92
93 /** Constructs and initializes a Vector from a vector */
94 inline Vector(const Vector<Real, Dim>& v) {
95 *this = v;
96 }
97
98 /** copy assignment operator */
99 inline Vector<Real, Dim>& operator=(const Vector<Real, Dim>& v) {
100 if (this == &v)
101 return *this;
102
103 for (unsigned int i = 0; i < Dim; i++)
104 this->data_[i] = v[i];
105
106 return *this;
107 }
108
109 template<typename T>
110 inline Vector(const T& s){
111 for (unsigned int i = 0; i < Dim; i++)
112 this->data_[i] = s;
113 }
114
115 /** Constructs and initializes a Vector from an array */
116 inline Vector( Real* v) {
117 for (unsigned int i = 0; i < Dim; i++)
118 this->data_[i] = v[i];
119 }
120
121 /**
122 * Returns reference of ith element.
123 * @return reference of ith element
124 * @param i index
125 */
126 inline Real& operator[](unsigned int i) {
127 assert( i < Dim);
128 return this->data_[i];
129 }
130
131 /**
132 * Returns reference of ith element.
133 * @return reference of ith element
134 * @param i index
135 */
136 inline Real& operator()(unsigned int i) {
137 assert( i < Dim);
138 return this->data_[i];
139 }
140
141 /**
142 * Returns constant reference of ith element.
143 * @return reference of ith element
144 * @param i index
145 */
146 inline const Real& operator[](unsigned int i) const {
147 assert( i < Dim);
148 return this->data_[i];
149 }
150
151 /**
152 * Returns constant reference of ith element.
153 * @return reference of ith element
154 * @param i index
155 */
156 inline const Real& operator()(unsigned int i) const {
157 assert( i < Dim);
158 return this->data_[i];
159 }
160
161 /** Copy the internal data to an array*/
162 void getArray(Real* array) {
163 for (unsigned int i = 0; i < Dim; i ++) {
164 array[i] = this->data_[i];
165 }
166 }
167
168 /** Returns the pointer of internal array */
169 Real* getArrayPointer() {
170 return this->data_;
171 }
172
173 /**
174 * Tests if this vetor is equal to other vector
175 * @return true if equal, otherwise return false
176 * @param v vector to be compared
177 */
178 inline bool operator ==(const Vector<Real, Dim>& v) {
179
180 for (unsigned int i = 0; i < Dim; i ++) {
181 if (!equal(this->data_[i], v[i])) {
182 return false;
183 }
184 }
185
186 return true;
187 }
188
189 /**
190 * Tests if this vetor is not equal to other vector
191 * @return true if equal, otherwise return false
192 * @param v vector to be compared
193 */
194 inline bool operator !=(const Vector<Real, Dim>& v) {
195 return !(*this == v);
196 }
197
198 /** Negates the value of this vector in place. */
199 inline void negate() {
200 for (unsigned int i = 0; i < Dim; i++)
201 this->data_[i] = -this->data_[i];
202 }
203
204 /**
205 * Sets the value of this vector to the negation of vector v1.
206 * @param v1 the source vector
207 */
208 inline void negate(const Vector<Real, Dim>& v1) {
209 for (unsigned int i = 0; i < Dim; i++)
210 this->data_[i] = -v1.data_[i];
211
212 }
213
214 /**
215 * Sets the value of this vector to the sum of itself and v1 (*this += v1).
216 * @param v1 the other vector
217 */
218 inline void add( const Vector<Real, Dim>& v1 ) {
219 for (unsigned int i = 0; i < Dim; i++)
220 this->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 this->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 this->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 this->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 this->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 this->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 this->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 this->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 unsigned int size() {return Dim;}
352 protected:
353 Real data_[Dim];
354
355 };
356
357 /** unary minus*/
358 template<typename Real, unsigned int Dim>
359 inline Vector<Real, Dim> operator -(const Vector<Real, Dim>& v1){
360 Vector<Real, Dim> tmp(v1);
361 tmp.negate();
362 return tmp;
363 }
364
365 /**
366 * Return the sum of two vectors (v1 - v2).
367 * @return the sum of two vectors
368 * @param v1 the first vector
369 * @param v2 the second vector
370 */
371 template<typename Real, unsigned int Dim>
372 inline Vector<Real, Dim> operator +(const Vector<Real, Dim>& v1, const Vector<Real, Dim>& v2) {
373 Vector<Real, Dim> result;
374
375 result.add(v1, v2);
376 return result;
377 }
378
379 /**
380 * Return the difference of two vectors (v1 - v2).
381 * @return the difference of two vectors
382 * @param v1 the first vector
383 * @param v2 the second vector
384 */
385 template<typename Real, unsigned int Dim>
386 Vector<Real, Dim> operator -(const Vector<Real, Dim>& v1, const Vector<Real, Dim>& v2) {
387 Vector<Real, Dim> result;
388 result.sub(v1, v2);
389 return result;
390 }
391
392 /**
393 * Returns the vaule of scalar multiplication of this vector v1 (v1 * r).
394 * @return the vaule of scalar multiplication of this vector
395 * @param v1 the source vector
396 * @param s the scalar value
397 */
398 template<typename Real, unsigned int Dim>
399 Vector<Real, Dim> operator * ( const Vector<Real, Dim>& v1, Real s) {
400 Vector<Real, Dim> result;
401 result.mul(v1,s);
402 return result;
403 }
404
405 /**
406 * Returns the vaule of scalar multiplication of this vector v1 (v1 * r).
407 * @return the vaule of scalar multiplication of this vector
408 * @param s the scalar value
409 * @param v1 the source vector
410 */
411 template<typename Real, unsigned int Dim>
412 Vector<Real, Dim> operator * ( Real s, const Vector<Real, Dim>& v1 ) {
413 Vector<Real, Dim> result;
414 result.mul(v1, s);
415 return result;
416 }
417
418 /**
419 * Returns the value of division of a vector by a scalar.
420 * @return the vaule of scalar division of this vector
421 * @param v1 the source vector
422 * @param s the scalar value
423 */
424 template<typename Real, unsigned int Dim>
425 Vector<Real, Dim> operator / ( const Vector<Real, Dim>& v1, Real s) {
426 Vector<Real, Dim> result;
427 result.div( v1,s);
428 return result;
429 }
430
431 /**
432 * Returns the dot product of two Vectors
433 * @param v1 first vector
434 * @param v2 second vector
435 * @return the dot product of v1 and v2
436 */
437 template<typename Real, unsigned int Dim>
438 inline Real dot( const Vector<Real, Dim>& v1, const Vector<Real, Dim>& v2 ) {
439 Real tmp;
440 tmp = 0;
441
442 for (unsigned int i = 0; i < Dim; i++)
443 tmp += v1[i] * v2[i];
444
445 return tmp;
446 }
447
448 /**
449 * Returns the distance between two Vectors
450 * @param v1 first vector
451 * @param v2 second vector
452 * @return the distance between v1 and v2
453 */
454 template<typename Real, unsigned int Dim>
455 inline Real distance( const Vector<Real, Dim>& v1, const Vector<Real, Dim>& v2 ) {
456 Vector<Real, Dim> tempVector = v1 - v2;
457 return tempVector.length();
458 }
459
460 /**
461 * Returns the squared distance between two Vectors
462 * @param v1 first vector
463 * @param v2 second vector
464 * @return the squared distance between v1 and v2
465 */
466 template<typename Real, unsigned int Dim>
467 inline Real distanceSquare( const Vector<Real, Dim>& v1, const Vector<Real, Dim>& v2 ) {
468 Vector<Real, Dim> tempVector = v1 - v2;
469 return tempVector.lengthSquare();
470 }
471
472 /**
473 * Write to an output stream
474 */
475 template<typename Real, unsigned int Dim>
476 std::ostream &operator<< ( std::ostream& o, const Vector<Real, Dim>& v) {
477
478 o << "[ ";
479
480 for (unsigned int i = 0 ; i< Dim; i++) {
481 o << v[i];
482
483 if (i != Dim -1) {
484 o<< ", ";
485 }
486 }
487
488 o << " ]";
489 return o;
490 }
491
492 }
493 #endif