File: DiagonalMatrix.h

package info (click to toggle)
lammps 0~20181211.gitad1b1897d%2Bdfsg1-2
  • links: PTS, VCS
  • area: main
  • in suites: buster
  • size: 318,860 kB
  • sloc: cpp: 729,569; python: 40,508; xml: 14,919; fortran: 12,142; ansic: 7,454; sh: 5,565; perl: 4,105; f90: 2,700; makefile: 2,117; objc: 238; lisp: 163; tcl: 61; csh: 16; awk: 14
file content (506 lines) | stat: -rw-r--r-- 18,858 bytes parent folder | download | duplicates (3)
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
90
91
92
93
94
95
96
97
98
99
100
101
102
103
104
105
106
107
108
109
110
111
112
113
114
115
116
117
118
119
120
121
122
123
124
125
126
127
128
129
130
131
132
133
134
135
136
137
138
139
140
141
142
143
144
145
146
147
148
149
150
151
152
153
154
155
156
157
158
159
160
161
162
163
164
165
166
167
168
169
170
171
172
173
174
175
176
177
178
179
180
181
182
183
184
185
186
187
188
189
190
191
192
193
194
195
196
197
198
199
200
201
202
203
204
205
206
207
208
209
210
211
212
213
214
215
216
217
218
219
220
221
222
223
224
225
226
227
228
229
230
231
232
233
234
235
236
237
238
239
240
241
242
243
244
245
246
247
248
249
250
251
252
253
254
255
256
257
258
259
260
261
262
263
264
265
266
267
268
269
270
271
272
273
274
275
276
277
278
279
280
281
282
283
284
285
286
287
288
289
290
291
292
293
294
295
296
297
298
299
300
301
302
303
304
305
306
307
308
309
310
311
312
313
314
315
316
317
318
319
320
321
322
323
324
325
326
327
328
329
330
331
332
333
334
335
336
337
338
339
340
341
342
343
344
345
346
347
348
349
350
351
352
353
354
355
356
357
358
359
360
361
362
363
364
365
366
367
368
369
370
371
372
373
374
375
376
377
378
379
380
381
382
383
384
385
386
387
388
389
390
391
392
393
394
395
396
397
398
399
400
401
402
403
404
405
406
407
408
409
410
411
412
413
414
415
416
417
418
419
420
421
422
423
424
425
426
427
428
429
430
431
432
433
434
435
436
437
438
439
440
441
442
443
444
445
446
447
448
449
450
451
452
453
454
455
456
457
458
459
460
461
462
463
464
465
466
467
468
469
470
471
472
473
474
475
476
477
478
479
480
481
482
483
484
485
486
487
488
489
490
491
492
493
494
495
496
497
498
499
500
501
502
503
504
505
506
#ifndef DIAGONALMATRIX_H
#define DIAGONALMATRIX_H

#include "MatrixDef.h"

namespace ATC_matrix {

  /**
   *  @class  DiagonalMatrix
   *  @brief  Class for storing data as a diagonal matrix         
   */

template<typename T>
class DiagonalMatrix : public Matrix<T>
{
 public: 
  explicit DiagonalMatrix(INDEX nRows=0, bool zero=0);
  DiagonalMatrix(const DiagonalMatrix<T>& c);
  DiagonalMatrix(const Vector<T>& v);
  virtual ~DiagonalMatrix();
 
  //* resizes the matrix, ignores nCols, optionally zeros 
  void  reset(INDEX rows, INDEX cols=0, bool zero=true);
  //* resizes the matrix, ignores nCols, optionally copies what fits
  void resize(INDEX rows, INDEX cols=0, bool copy=false);
  //* resets based on full copy of vector v
  void reset(const Vector<T>& v);
  //* resets based on full copy of a DiagonalMatrix
  void reset(const DiagonalMatrix<T>& v);
  //* resets based on a one column DenseMatrix
  void reset(const DenseMatrix<T>& c);
  //* resizes the matrix, ignores nCols, optionally copies what fits
  void copy(const T * ptr, INDEX rows, INDEX cols=0);

  //* resets based on a "shallow" copy of a vector
  void shallowreset(const Vector<T> &v);
  //* resets based on a "shallow" copy of a DiagonalMatrix
  void shallowreset(const DiagonalMatrix<T> &c);
  //* resets based on a "shallow" copy of one column DenseMatrix
  void shallowreset(const DenseMatrix<T> &c);

  T& operator()(INDEX i, INDEX j);
  T  operator()(INDEX i, INDEX j) const;
  T& operator[](INDEX i);
  T  operator[](INDEX i)          const;
  INDEX nRows()                   const;
  INDEX nCols()                   const;
  T* ptr()                    const;
  void write_restart(FILE *f)     const;

  // Dump matrix contents to screen (not defined for all datatypes)
  std::string to_string(int p=myPrecision) const { return _data->to_string(); }

  using Matrix<T>::matlab;
  void matlab(std::ostream &o, const std::string &s="D") const;

  // overloaded operators
  DiagonalMatrix<T>& operator=(const T s);
  DiagonalMatrix<T>& operator=(const DiagonalMatrix<T> &C);
  //DiagonalMatrix<T>& operator=(const Vector<T> &C);

  INDEX size() const { return _data->size(); }
  //* computes the inverse of this matrix
  DiagonalMatrix<T>& inv_this(); 
  //* returns a copy of the inverse of this matrix
  DiagonalMatrix<T>  inv() const;

  // DiagonalMatrix-matrix multiplication function
  virtual void MultAB(const Matrix<T>& B, DenseMatrix<T>& C) const
  {
    GCK(*this, B, this->nCols()!=B.nRows(), "DiagonalMatrix-Matrix multiplication");
    for (INDEX i=0; i<C.nRows(); i++) {
      T value = (*this)[i];
      for (INDEX j=0; j<C.nCols(); j++)
        C(i,j) = B(i,j) * value;
    }
  }

protected:
  void _set_equal(const Matrix<T> &r);
  DiagonalMatrix& operator=(const Vector<T> &c) {}
  DiagonalMatrix& operator=(const Matrix<T> &c) {}

private: 
  void _delete();
  Vector<T> *_data;
}; 

//-----------------------------------------------------------------------------
// DiagonalMatrix-DiagonalMatrix multiplication
//-----------------------------------------------------------------------------
template<typename T>
DiagonalMatrix<T> operator*(const DiagonalMatrix<T>& A, const DiagonalMatrix<T>& B) 
{
  SSCK(A, B, "DiagonalMatrix-DiagonalMatrix multiplication");
  DiagonalMatrix<T> R(A); 
  for (INDEX i=0; i<R.nRows(); i++) R[i] *= B[i];
  return R;
}
//-----------------------------------------------------------------------------
// DiagonalMatrix-matrix multiplication
//-----------------------------------------------------------------------------
template<typename T>
DenseMatrix<T> operator*(const DiagonalMatrix<T>& A, const Matrix<T> &B)
{
  DenseMatrix<T> C(A.nRows(), B.nCols(), true);
  A.MultAB(B, C);
  return C;
}
//-----------------------------------------------------------------------------
// matrix-DiagonalMatrix multiplication
//-----------------------------------------------------------------------------
template<typename T>
DenseMatrix<T> operator*(const Matrix<T> &B, const DiagonalMatrix<T>& A)
{
  GCK(B, A, B.nCols()!=A.nRows(), "Matrix-DiagonalMatrix multiplication");
  DenseMatrix<T> R(B);  // makes a copy of r to return
  for (INDEX j=0; j<R.nCols(); j++)
    for (INDEX i=0; i<R.nRows(); i++)
      R(i,j) *= A[j];
  return R;
}
//-----------------------------------------------------------------------------
// DiagonalMatrix-vector multiplication
//-----------------------------------------------------------------------------
template<typename T>
DenseVector<T> operator*(const DiagonalMatrix<T>& A, const Vector<T> &b)
{
  GCK(A, b, A.nCols()!=b.size(), "DiagonalMatrix-Vector multiplication");
  DenseVector<T> r(b);  // makes a copy of r to return
  for (INDEX i=0; i<r.size(); i++)
    r[i] *= A[i];
  return r;
}
//-----------------------------------------------------------------------------
// vector-DiagonalMatrix multiplication
//-----------------------------------------------------------------------------
template<typename T>
DenseVector<T> operator*(const Vector<T> &b, const DiagonalMatrix<T>& A)
{
  GCK(b, A, b.size()!=A.nRows(), "Matrix-DiagonalMatrix multiplication");
  DenseVector<T> r(b);  // makes a copy of r to return
  for (INDEX i=0; i<r.size(); i++)
    r[i] *= A[i];
  return r;
}
//-----------------------------------------------------------------------------
// DiagonalMatrix-SparseMatrix multiplication
//-----------------------------------------------------------------------------
template<typename T>
SparseMatrix<T> operator*(const DiagonalMatrix<T> &A, const SparseMatrix<T>& B) 
{
  GCK(A, B, A.nCols()!=B.nRows() ,"DiagonalMatrix-SparseMatrix multiplication");
  SparseMatrix<T> R(B);
  CloneVector<T> d(A);
  R.row_scale(d);
  return R;
}
//-----------------------------------------------------------------------------
// DiagonalMatrix-scalar multiplication
//-----------------------------------------------------------------------------
template<typename T>
DiagonalMatrix<T> operator*(DiagonalMatrix<T> &A, const T s)
{
  DiagonalMatrix<T> R(A);
  R *= s;
  return R;
}
//-----------------------------------------------------------------------------
// Commute with DiagonalMatrix * double
//-----------------------------------------------------------------------------
template<typename T>
DiagonalMatrix<T> operator*(const T s, const DiagonalMatrix<T>& A) 
{
  DiagonalMatrix<T> R(A);
  R *= s;
  return R;
}
//-----------------------------------------------------------------------------
// DiagonalMatrix addition
//-----------------------------------------------------------------------------
template<typename T>
DiagonalMatrix<T> operator+(const DiagonalMatrix<T> &A, const DiagonalMatrix<T> &B)
{
  DiagonalMatrix<T> R(A);
  R+=B;
  return R;
}
//-----------------------------------------------------------------------------
// DiagonalMatrix subtraction
//-----------------------------------------------------------------------------
template<typename T>
DiagonalMatrix<T> operator-(const DiagonalMatrix<T> &A, const DiagonalMatrix<T> &B)
{
  DiagonalMatrix<T> R(A);
  return R-=B;
}
//-----------------------------------------------------------------------------
// template member definitions
//-----------------------------------------------------------------------------

//-----------------------------------------------------------------------------
// Default constructor - optionally zeros the matrix
//-----------------------------------------------------------------------------
template<typename T>
DiagonalMatrix<T>::DiagonalMatrix(INDEX rows, bool zero)
 : _data(NULL)
{
  reset(rows, zero);
}
//-----------------------------------------------------------------------------
// copy constructor - makes a full copy
//-----------------------------------------------------------------------------
template<typename T>
DiagonalMatrix<T>::DiagonalMatrix(const DiagonalMatrix<T>& c)
 : Matrix<T>(), _data(NULL)
{
  reset(c);
}
//-----------------------------------------------------------------------------
// copy constructor from vector
//-----------------------------------------------------------------------------
template<typename T>
DiagonalMatrix<T>::DiagonalMatrix(const Vector<T>& v)
 : Matrix<T>(), _data(NULL)
{
  reset(v);
}
//-----------------------------------------------------------------------------
// destructor
//-----------------------------------------------------------------------------
template<typename T>
DiagonalMatrix<T>::~DiagonalMatrix() 
{
  _delete();
} 
//-----------------------------------------------------------------------------
// deletes the data stored by this matrix
//-----------------------------------------------------------------------------
template<typename T>
void DiagonalMatrix<T>::_delete()
{
  if (_data) delete _data;
}
//-----------------------------------------------------------------------------
// resizes the matrix, ignores nCols, optionally zeros 
//-----------------------------------------------------------------------------
template<typename T>
void DiagonalMatrix<T>::reset(INDEX rows, INDEX cols, bool zero)
{
  _delete();
  _data = new DenseVector<T>(rows, zero);
}
//-----------------------------------------------------------------------------
// resizes the matrix, ignores nCols, optionally copies what fits
//-----------------------------------------------------------------------------
template<typename T>
void DiagonalMatrix<T>::resize(INDEX rows, INDEX cols, bool copy)
{
  _data->resize(rows, copy);  
}
//-----------------------------------------------------------------------------
// changes the diagonal of the matrix to a vector v (makes a copy)
//-----------------------------------------------------------------------------
template<typename T>
void DiagonalMatrix<T>::reset(const Vector<T>& v) 
{
  if (&v == _data) return; // check for self-reset
  _delete();
  _data = new DenseVector<T>(v);
}
//-----------------------------------------------------------------------------
// copys from another DiagonalMatrix
//-----------------------------------------------------------------------------
template<typename T>
void DiagonalMatrix<T>::reset(const DiagonalMatrix<T>& c) 
{
  reset(*(c._data));
}
//-----------------------------------------------------------------------------
// copys from a single column matrix
//-----------------------------------------------------------------------------
template<typename T>
void DiagonalMatrix<T>::reset(const DenseMatrix<T>& c)
{
  GCHK(c.nCols()!=1,"DiagonalMatrix reset from DenseMatrix");
  copy(c.ptr(),c.nRows(),c.nRows());
}
//-----------------------------------------------------------------------------
// resizes the matrix and copies data
//-----------------------------------------------------------------------------
template<typename T>
void DiagonalMatrix<T>::copy(const T * ptr, INDEX rows, INDEX cols)
{
  if (_data) _data->reset(rows, false);
  else _data = new DenseVector<T>(rows, false);
  _data->copy(ptr,rows,cols);
}
//-----------------------------------------------------------------------------
// shallow reset from another DiagonalMatrix
//-----------------------------------------------------------------------------
template<typename T>
void DiagonalMatrix<T>::shallowreset(const DiagonalMatrix<T> &c)
{
  _delete();
  _data = new CloneVector<T>(*(c._data));
}
//-----------------------------------------------------------------------------
// shallow reset from Vector
//-----------------------------------------------------------------------------
template<typename T>
void DiagonalMatrix<T>::shallowreset(const Vector<T> &v)
{
  _delete();
  _data = new CloneVector<T>(v);
}
//-----------------------------------------------------------------------------
// shallow reset from a DenseMatrix
//-----------------------------------------------------------------------------
template<typename T>
void DiagonalMatrix<T>::shallowreset(const DenseMatrix<T> &c)
{
  _delete();
  _data = new CloneVector<T>(c,CLONE_COL);
}
//-----------------------------------------------------------------------------
// reference indexing operator - must throw an error if i!=j
//-----------------------------------------------------------------------------
template<typename T>
T& DiagonalMatrix<T>::operator()(INDEX i, INDEX j)
{
  GCK(*this,*this,i!=j,"DiagonalMatrix: tried to index off diagonal");
  return (*this)[i];
}
//-----------------------------------------------------------------------------
// value indexing operator - returns 0 if i!=j
//-----------------------------------------------------------------------------
template<typename T>
T DiagonalMatrix<T>::operator()(INDEX i, INDEX j)                         const 
{
  return (i==j) ? (*_data)(i) : (T)0; 
}
//-----------------------------------------------------------------------------
// flat reference indexing operator
//-----------------------------------------------------------------------------
template<typename T>
T& DiagonalMatrix<T>::operator[](INDEX i)                
{
  return (*_data)(i); 
}
//-----------------------------------------------------------------------------
// flat value indexing operator
//-----------------------------------------------------------------------------
template<typename T>
T DiagonalMatrix<T>::operator[](INDEX i)                                  const          
{ 
  return (*_data)(i); 
}
//-----------------------------------------------------------------------------
// returns the number of rows
//-----------------------------------------------------------------------------
template<typename T>
INDEX DiagonalMatrix<T>::nRows()                                          const          
{ 
  return _data->size(); 
}
//-----------------------------------------------------------------------------
// returns the number of columns (same as nCols())
//-----------------------------------------------------------------------------
template<typename T>
INDEX DiagonalMatrix<T>::nCols()                                          const  
{
  return _data->size(); 
}
//-----------------------------------------------------------------------------
// returns a pointer to the diagonal values, dangerous!
//-----------------------------------------------------------------------------
template<typename T>
T* DiagonalMatrix<T>::ptr()                                           const
{
  return _data->ptr(); 
} 
//-----------------------------------------------------------------------------
// writes the diagonal to a binary data restart file
//-----------------------------------------------------------------------------
template<typename T>
void DiagonalMatrix<T>::write_restart(FILE *f)                            const 
{
  _data->write_restart(f);
}
//-----------------------------------------------------------------------------
// sets the diagonal to a constant
//-----------------------------------------------------------------------------
template<typename T>
DiagonalMatrix<T>& DiagonalMatrix<T>::operator=(const T v) 
{
  this->set_all_elements_to(v);
  return *this;
}
//-----------------------------------------------------------------------------
// assignment operator with another diagonal matrix
//-----------------------------------------------------------------------------
template<typename T>
DiagonalMatrix<T>& DiagonalMatrix<T>::operator=(const DiagonalMatrix<T>& C) 
{
  reset(C);
  return *this;
}
//-----------------------------------------------------------------------------
// writes a matlab command to duplicate this sparse matrix
//-----------------------------------------------------------------------------
template<typename T>
void DiagonalMatrix<T>::matlab(std::ostream &o, const std::string &s)               const 
{
  _data->matlab(o, s);
  o << s <<"=diag("<<s<<",0);\n";
}
//-----------------------------------------------------------------------------
// inverts this matrix, returns a reference
//-----------------------------------------------------------------------------
template<typename T>
DiagonalMatrix<T>& DiagonalMatrix<T>::inv_this()
{
  for(INDEX i=0; i<nRows(); i++) 
  {
     if ((*this)[i]!=T(0)) (*this)[i] = 1.0/(*this)[i];
     else 
     {
        std::cout<<"DiagonalMatrix::inv(): ("<<i<<","<<i<<")=0\n";
        ERROR_FOR_BACKTRACE
        exit(EXIT_FAILURE);
     }
  }  
  // Error check info
  const double min_max = _data->minabs() / _data->maxabs();
  if (min_max > 1e-14)   return *this;
  std::cout << "DiagonalMatrix::inv_this(): Warning: Matrix is badly scaled.";
  std::cout << "  RCOND = "<<min_max<<"\n";
  return *this;
}
//-----------------------------------------------------------------------------
// returns the inverse of this matrix
//-----------------------------------------------------------------------------
template<typename T>
DiagonalMatrix<T> DiagonalMatrix<T>::inv() const
{
  DiagonalMatrix<T> invA(*this); // Make copy of A to invert

  for(INDEX i=0; i<invA.nRows(); i++) 
  {
     if ((*this)[i]!=T(0)) invA[i]=1.0/(*this)[i];
     else 
     {
        std::cout<<"DiagonalMatrix::inv(): ("<<i<<","<<i<<")=0\n";
        ERROR_FOR_BACKTRACE
        exit(EXIT_FAILURE);
     }
  }
  // Error check info
  const double min_max = _data->minabs() / _data->maxabs();
  if (min_max > 1e-14)   return invA;
  std::cout << "DiagonalMatrix::inv(): Warning: Matrix is badly scaled.";
  std::cout << "  RCOND = "<<min_max<<"\n";
  return invA;
}
//-----------------------------------------------------------------------------
// computes a matrix inverse
//-----------------------------------------------------------------------------
inline DiagonalMatrix<double> inv(const DiagonalMatrix<double>& A)
{
  return A.inv();
}
//-----------------------------------------------------------------------------
// general diagonalmatrix assigment 
//-----------------------------------------------------------------------------
template<typename T>
void DiagonalMatrix<T>::_set_equal(const Matrix<T> &r)
{
  this->resize(r.nRows(), r.nCols());
  const Matrix<T> *pr = &r;

  const SparseMatrix<T>   *ps = dynamic_cast<const SparseMatrix<T>*>   (pr);
  const DiagonalMatrix<T> *pd = dynamic_cast<const DiagonalMatrix<T>*> (pr);
  const Vector<T>         *pv = dynamic_cast<const Vector<T>*>         (pr);

  if (ps)       this->reset(ps->diag());
  else if (pd)  this->reset(*pd);
  else if (pv)  this->reset(*pv);
  else
  {
    std::cout <<"Error in general diagonal matrix assignment\n";
    exit(1);
  }
}
//-----------------------------------------------------------------------------
// casts a generic matrix pointer into a DiagonalMatrix pointer - null if fail 
//-----------------------------------------------------------------------------
template<typename T>
const DiagonalMatrix<T> *diag_cast(const Matrix<T> *m)
{
  return dynamic_cast<const DiagonalMatrix<T>*>(m);
}

} // end namespace

#endif