ViewVC Help
View File | Revision Log | Show Annotations | View Changeset | Root Listing
root/group/trunk/OOPSE-2.0/src/math/Vector.hpp
Revision: 1937
Committed: Thu Jan 13 19:40:37 2005 UTC (19 years, 5 months ago) by tim
File size: 16093 byte(s)
Log Message:
port to SGI platform

File Contents

# User Rev Content
1 gezelter 1930 /*
2     * Copyright (c) 2005 The University of Notre Dame. All Rights Reserved.
3 tim 1563 *
4 gezelter 1930 * 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 tim 1563 */
41 gezelter 1930
42 tim 1563 /**
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 tim 1564 #include <iostream>
55 tim 1937 #include <math.h>
56 tim 1563 namespace oopse {
57    
58 gezelter 1930 static const double epsilon = 0.000001;
59 tim 1569
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 tim 1603
75 tim 1569
76 tim 1563 /**
77     * @class Vector Vector.hpp "math/Vector.hpp"
78     * @brief Fix length vector class
79     */
80 tim 1564 template<typename Real, unsigned int Dim>
81 tim 1563 class Vector{
82     public:
83    
84 tim 1630 typedef Real ElemType;
85     typedef Real* ElemPoinerType;
86    
87 tim 1563 /** default constructor */
88     inline Vector(){
89     for (unsigned int i = 0; i < Dim; i++)
90 gezelter 1930 data_[i] = 0;
91 tim 1563 }
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     data_[i] = v[i];
105    
106     return *this;
107     }
108 tim 1594
109     template<typename T>
110     inline Vector(const T& s){
111     for (unsigned int i = 0; i < Dim; i++)
112     data_[i] = s;
113     }
114 tim 1563
115     /** Constructs and initializes a Vector from an array */
116 tim 1603 inline Vector( Real* v) {
117 tim 1586 for (unsigned int i = 0; i < Dim; i++)
118     data_[i] = v[i];
119 tim 1563 }
120    
121     /**
122     * Returns reference of ith element.
123     * @return reference of ith element
124     * @param i index
125     */
126 tim 1603 inline Real& operator[](unsigned int i) {
127 tim 1563 assert( i < Dim);
128     return data_[i];
129     }
130    
131     /**
132     * Returns reference of ith element.
133     * @return reference of ith element
134     * @param i index
135     */
136 tim 1603 inline Real& operator()(unsigned int i) {
137 tim 1563 assert( i < Dim);
138     return data_[i];
139     }
140    
141     /**
142     * Returns constant reference of ith element.
143     * @return reference of ith element
144     * @param i index
145     */
146 tim 1603 inline const Real& operator[](unsigned int i) const {
147 tim 1563 assert( i < Dim);
148     return data_[i];
149     }
150    
151     /**
152     * Returns constant reference of ith element.
153     * @return reference of ith element
154     * @param i index
155     */
156 tim 1603 inline const Real& operator()(unsigned int i) const {
157 tim 1563 assert( i < Dim);
158     return data_[i];
159     }
160    
161 tim 1644 /** Copy the internal data to an array*/
162     void getArray(Real* array) {
163     for (unsigned int i = 0; i < Dim; i ++) {
164     array[i] = data_[i];
165     }
166     }
167    
168 tim 1630 /** Returns the pointer of internal array */
169     Real* getArrayPointer() {
170     return data_;
171     }
172    
173 tim 1569 /**
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(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 tim 1563 /** Negates the value of this vector in place. */
199     inline void negate() {
200 tim 1594 for (unsigned int i = 0; i < Dim; i++)
201     data_[i] = -data_[i];
202 tim 1563 }
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     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 tim 1603 for (unsigned int i = 0; i < Dim; i++)
220     data_[i] += v1.data_[i];
221     }
222 tim 1563
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 tim 1586 for (unsigned int i = 0; i < Dim; i++)
230     data_[i] = v1.data_[i] + v2.data_[i];
231 tim 1563 }
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 tim 1603 inline void mul( Real s ) {
257 tim 1586 for (unsigned int i = 0; i < Dim; i++)
258 tim 1563 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 tim 1594 * @param v1 the vector
265 tim 1563 * @param s the scalar value
266     */
267 tim 1603 inline void mul( const Vector<Real, Dim>& v1, Real s) {
268 tim 1586 for (unsigned int i = 0; i < Dim; i++)
269 tim 1563 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 tim 1603 inline void div( Real s) {
277 tim 1586 for (unsigned int i = 0; i < Dim; i++)
278 tim 1563 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 tim 1603 inline void div( const Vector<Real, Dim>& v1, Real s ) {
287 tim 1586 for (unsigned int i = 0; i < Dim; i++)
288 tim 1563 data_[i] = v1.data_[i] / s;
289     }
290    
291     /** @see #add */
292 tim 1564 inline Vector<Real, Dim>& operator +=( const Vector<Real, Dim>& v1 ) {
293 tim 1563 add(v1);
294     return *this;
295     }
296    
297     /** @see #sub */
298 tim 1564 inline Vector<Real, Dim>& operator -=( const Vector<Real, Dim>& v1 ) {
299 tim 1563 sub(v1);
300     return *this;
301     }
302    
303     /** @see #mul */
304 tim 1603 inline Vector<Real, Dim>& operator *=( Real s) {
305 tim 1563 mul(s);
306     return *this;
307     }
308    
309     /** @see #div */
310 tim 1603 inline Vector<Real, Dim>& operator /=( Real s ) {
311 tim 1563 div(s);
312     return *this;
313     }
314    
315     /**
316     * Returns the length of this vector.
317     * @return the length of this vector
318     */
319 tim 1603 inline Real length() {
320 tim 1597 return sqrt(lengthSquare());
321 tim 1563 }
322    
323     /**
324     * Returns the squared length of this vector.
325     * @return the squared length of this vector
326     */
327 tim 1603 inline Real lengthSquare() {
328 tim 1563 return dot(*this, *this);
329     }
330    
331     /** Normalizes this vector in place */
332     inline void normalize() {
333 tim 1603 Real len;
334 tim 1563
335     len = length();
336 tim 1595
337     //if (len < oopse:epsilon)
338     // throw();
339    
340 tim 1563 *this /= len;
341     }
342 tim 1586
343     /**
344     * Tests if this vector is normalized
345     * @return true if this vector is normalized, otherwise return false
346     */
347 tim 1597 inline bool isNormalized() {
348     return equal(lengthSquare(), 1.0);
349 tim 1586 }
350 tim 1563
351     protected:
352 tim 1603 Real data_[Dim];
353 tim 1563
354     };
355    
356     /** unary minus*/
357 tim 1564 template<typename Real, unsigned int Dim>
358 tim 1563 inline Vector<Real, Dim> operator -(const Vector<Real, Dim>& v1){
359 tim 1594 Vector<Real, Dim> tmp(v1);
360     tmp.negate();
361     return tmp;
362 tim 1563 }
363    
364     /**
365     * Return the sum of two vectors (v1 - v2).
366     * @return the sum of two vectors
367     * @param v1 the first vector
368     * @param v2 the second vector
369     */
370 tim 1564 template<typename Real, unsigned int Dim>
371 tim 1563 inline Vector<Real, Dim> operator +(const Vector<Real, Dim>& v1, const Vector<Real, Dim>& v2) {
372     Vector<Real, Dim> result;
373    
374     result.add(v1, v2);
375     return result;
376     }
377    
378     /**
379     * Return the difference of two vectors (v1 - v2).
380     * @return the difference of two vectors
381     * @param v1 the first vector
382     * @param v2 the second vector
383     */
384 tim 1564 template<typename Real, unsigned int Dim>
385 tim 1563 Vector<Real, Dim> operator -(const Vector<Real, Dim>& v1, const Vector<Real, Dim>& v2) {
386     Vector<Real, Dim> result;
387     result.sub(v1, v2);
388     return result;
389     }
390    
391     /**
392     * 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
395     * @param s the scalar value
396     */
397 tim 1564 template<typename Real, unsigned int Dim>
398 tim 1603 Vector<Real, Dim> operator * ( const Vector<Real, Dim>& v1, Real s) {
399 tim 1563 Vector<Real, Dim> result;
400 tim 1594 result.mul(v1,s);
401 tim 1563 return result;
402     }
403    
404     /**
405     * Returns the vaule of scalar multiplication of this vector v1 (v1 * r).
406     * @return the vaule of scalar multiplication of this vector
407     * @param s the scalar value
408     * @param v1 the source vector
409     */
410 tim 1564 template<typename Real, unsigned int Dim>
411 tim 1603 Vector<Real, Dim> operator * ( Real s, const Vector<Real, Dim>& v1 ) {
412 tim 1563 Vector<Real, Dim> result;
413 tim 1594 result.mul(v1, s);
414 tim 1563 return result;
415     }
416    
417     /**
418     * Returns the value of division of a vector by a scalar.
419     * @return the vaule of scalar division of this vector
420     * @param v1 the source vector
421     * @param s the scalar value
422     */
423 tim 1564 template<typename Real, unsigned int Dim>
424 tim 1603 Vector<Real, Dim> operator / ( const Vector<Real, Dim>& v1, Real s) {
425 tim 1563 Vector<Real, Dim> result;
426     result.div( v1,s);
427     return result;
428     }
429    
430     /**
431     * Returns the dot product of two Vectors
432     * @param v1 first vector
433     * @param v2 second vector
434     * @return the dot product of v1 and v2
435     */
436 tim 1564 template<typename Real, unsigned int Dim>
437 tim 1563 inline Real dot( const Vector<Real, Dim>& v1, const Vector<Real, Dim>& v2 ) {
438 tim 1586 Real tmp;
439     tmp = 0;
440 tim 1563
441 tim 1586 for (unsigned int i = 0; i < Dim; i++)
442 tim 1603 tmp += v1[i] * v2[i];
443 tim 1586
444     return tmp;
445 tim 1563 }
446    
447     /**
448     * Returns the distance between two Vectors
449     * @param v1 first vector
450     * @param v2 second vector
451     * @return the distance between v1 and v2
452     */
453 tim 1564 template<typename Real, unsigned int Dim>
454 tim 1563 inline Real distance( const Vector<Real, Dim>& v1, const Vector<Real, Dim>& v2 ) {
455     Vector<Real, Dim> tempVector = v1 - v2;
456     return tempVector.length();
457     }
458    
459     /**
460     * Returns the squared distance between two Vectors
461     * @param v1 first vector
462     * @param v2 second vector
463     * @return the squared distance between v1 and v2
464     */
465 tim 1564 template<typename Real, unsigned int Dim>
466 tim 1563 inline Real distanceSquare( const Vector<Real, Dim>& v1, const Vector<Real, Dim>& v2 ) {
467     Vector<Real, Dim> tempVector = v1 - v2;
468     return tempVector.lengthSquare();
469     }
470    
471     /**
472     * Write to an output stream
473     */
474 tim 1564 template<typename Real, unsigned int Dim>
475 tim 1586 std::ostream &operator<< ( std::ostream& o, const Vector<Real, Dim>& v) {
476    
477 tim 1603 o << "[ ";
478    
479     for (unsigned int i = 0 ; i< Dim; i++) {
480     o << v[i];
481    
482     if (i != Dim -1) {
483     o<< ", ";
484     }
485     }
486    
487     o << " ]";
488 tim 1563 return o;
489     }
490    
491     }
492     #endif