MPQC  2.3.1
blocked.h
1 //
2 // blocked.h
3 //
4 // Copyright (C) 1996 Limit Point Systems, Inc.
5 //
6 // Author: Curtis Janssen <cljanss@limitpt.com>
7 // Maintainer: LPS
8 //
9 // This file is part of the SC Toolkit.
10 //
11 // The SC Toolkit is free software; you can redistribute it and/or modify
12 // it under the terms of the GNU Library General Public License as published by
13 // the Free Software Foundation; either version 2, or (at your option)
14 // any later version.
15 //
16 // The SC Toolkit is distributed in the hope that it will be useful,
17 // but WITHOUT ANY WARRANTY; without even the implied warranty of
18 // MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
19 // GNU Library General Public License for more details.
20 //
21 // You should have received a copy of the GNU Library General Public License
22 // along with the SC Toolkit; see the file COPYING.LIB. If not, write to
23 // the Free Software Foundation, 675 Mass Ave, Cambridge, MA 02139, USA.
24 //
25 // The U.S. Government is granted a limited license as per AL 91-7.
26 //
27 
28 #ifdef __GNUC__
29 #pragma interface
30 #endif
31 
32 #ifndef _math_scmat_blocked_h
33 #define _math_scmat_blocked_h
34 
35 #include <math/scmat/block.h>
36 #include <math/scmat/elemop.h>
37 #include <math/scmat/matrix.h>
38 #include <math/scmat/abstract.h>
39 
40 namespace sc {
41 
42 class BlockedSCMatrixKit;
43 class BlockedSCVector;
44 class BlockedSCMatrix;
45 class BlockedSymmSCMatrix;
46 class BlockedDiagSCMatrix;
47 
48 class BlockedSCMatrixKit: public SCMatrixKit {
49  private:
50  Ref<SCMatrixKit> subkit_;
51  public:
52  BlockedSCMatrixKit(const Ref<SCMatrixKit>& subkit);
53  BlockedSCMatrixKit(const Ref<KeyVal>&);
54  ~BlockedSCMatrixKit();
55  SCMatrix* matrix(const RefSCDimension&,const RefSCDimension&);
56  SymmSCMatrix* symmmatrix(const RefSCDimension&);
57  DiagSCMatrix* diagmatrix(const RefSCDimension&);
58  SCVector* vector(const RefSCDimension&);
59 
60  Ref<SCMatrixKit> subkit() { return subkit_; }
61 };
62 
63 
64 class BlockedSCVector: public SCVector {
65  friend class BlockedSCMatrix;
66  friend class BlockedSymmSCMatrix;
67  friend class BlockedDiagSCMatrix;
68  private:
69  Ref<SCMatrixKit> subkit;
70  RefSCVector *vecs_;
71 
72  void resize(SCDimension*);
73 
74  public:
75  BlockedSCVector(const RefSCDimension&, BlockedSCMatrixKit*);
76  ~BlockedSCVector();
77 
78  // Save and restore this in an implementation independent way.
79  void save(StateOut&);
80  void restore(StateIn&);
81 
82  void assign_val(double);
83  void assign_v(SCVector*);
84  void assign_p(const double*);
85 
86  double get_element(int) const;
87  void set_element(int,double);
88  void accumulate_element(int,double);
89 
90  void accumulate_product_rv(SCMatrix*,SCVector*);
91  void accumulate_product_sv(SymmSCMatrix*,SCVector*);
92 
93  void accumulate(const SCVector*);
94  void accumulate(const SCMatrix*);
95  double scalar_product(SCVector*);
96 
97  void element_op(const Ref<SCElementOp>&);
98  void element_op(const Ref<SCElementOp2>&,
99  SCVector*);
100  void element_op(const Ref<SCElementOp3>&,
101  SCVector*,SCVector*);
102  void vprint(const char* title=0,
103  std::ostream& out=ExEnv::out0(), int =10) const;
104 
105  // BlockedSCVector specific functions
106  RefSCDimension dim() const { return d; }
107  RefSCDimension dim(int) const;
108  int nblocks() const;
109  RefSCVector block(int);
110 
111  Ref<SCMatrixSubblockIter> local_blocks(SCMatrixSubblockIter::Access);
112  Ref<SCMatrixSubblockIter> all_blocks(SCMatrixSubblockIter::Access);
113 };
114 
115 class BlockedSCMatrix: public SCMatrix {
116  friend class BlockedSymmSCMatrix;
117  friend class BlockedDiagSCMatrix;
118  friend class BlockedSCVector;
119  private:
120  Ref<SCMatrixKit> subkit;
121  RefSCMatrix *mats_;
122  int nblocks_;
123 
124  void resize(SCDimension*, SCDimension*);
125 
126  public:
127  BlockedSCMatrix(const RefSCDimension&, const RefSCDimension&,
128  BlockedSCMatrixKit*);
129  ~BlockedSCMatrix();
130 
131  // Save and restore this in an implementation independent way.
132  void save(StateOut&);
133  void restore(StateIn&);
134 
135  void assign_val(double);
136  double get_element(int,int) const;
137  void set_element(int,int,double);
138  void accumulate_element(int,int,double);
139 
140  SCMatrix * get_subblock(int,int,int,int);
141  void assign_subblock(SCMatrix*, int,int,int,int,int=0,int=0);
142  void accumulate_subblock(SCMatrix*, int,int,int,int,int=0,int=0);
143 
144  SCVector * get_row(int i);
145  SCVector * get_column(int i);
146  void assign_row(SCVector *v, int i);
147  void assign_column(SCVector *v, int i);
148  void accumulate_row(SCVector *v, int i);
149  void accumulate_column(SCVector *v, int i);
150 
151  void accumulate_outer_product(SCVector*,SCVector*);
152  void accumulate_product_rr(SCMatrix*,SCMatrix*);
153  void accumulate_product_rs(SCMatrix*,SymmSCMatrix*);
154  void accumulate_product_rd(SCMatrix*,DiagSCMatrix*);
155  void accumulate(const SCMatrix*);
156  void accumulate(const SymmSCMatrix*);
157  void accumulate(const DiagSCMatrix*);
158  void accumulate(const SCVector*);
159 
160  void transpose_this();
161  double invert_this();
162  void svd_this(SCMatrix *U, DiagSCMatrix *sigma, SCMatrix *V);
163  double solve_this(SCVector*);
164  double determ_this();
165  double trace();
166  void gen_invert_this();
167  void schmidt_orthog(SymmSCMatrix*,int);
168  int schmidt_orthog_tol(SymmSCMatrix*, double tol, double *res=0);
169 
170  void element_op(const Ref<SCElementOp>&);
171  void element_op(const Ref<SCElementOp2>&,
172  SCMatrix*);
173  void element_op(const Ref<SCElementOp3>&,
174  SCMatrix*,SCMatrix*);
175 
176  void vprint(const char* title=0,
177  std::ostream& out=ExEnv::out0(), int =10) const;
178 
179  // BlockedSCMatrix specific functions
180  RefSCDimension rowdim() const { return d1; }
181  RefSCDimension coldim() const { return d2; }
182  RefSCDimension rowdim(int) const;
183  RefSCDimension coldim(int) const;
184  int nblocks() const;
185  RefSCMatrix block(int);
186 
187  Ref<SCMatrixSubblockIter> local_blocks(SCMatrixSubblockIter::Access);
188  Ref<SCMatrixSubblockIter> all_blocks(SCMatrixSubblockIter::Access);
189 };
190 
191 class BlockedSymmSCMatrix: public SymmSCMatrix {
192  friend class BlockedSCMatrix;
193  friend class BlockedDiagSCMatrix;
194  friend class BlockedSCVector;
195  private:
196  Ref<SCMatrixKit> subkit;
197  RefSymmSCMatrix *mats_;
198 
199  void resize(SCDimension*);
200 
201  public:
202  BlockedSymmSCMatrix(const RefSCDimension&,BlockedSCMatrixKit*);
203  ~BlockedSymmSCMatrix();
204 
205  // Save and restore this in an implementation independent way.
206  void save(StateOut&);
207  void restore(StateIn&);
208 
209  double get_element(int,int) const;
210  void set_element(int,int,double);
211  void accumulate_element(int,int,double);
212  void scale(double);
213  void assign_val(double);
214  void assign_s(SymmSCMatrix*m);
215 
216  SCMatrix * get_subblock(int,int,int,int);
217  SymmSCMatrix * get_subblock(int,int);
218  void assign_subblock(SCMatrix*, int,int,int,int);
219  void assign_subblock(SymmSCMatrix*, int,int);
220  void accumulate_subblock(SCMatrix*, int,int,int,int);
221  void accumulate_subblock(SymmSCMatrix*, int,int);
222  SCVector * get_row(int i);
223  void assign_row(SCVector *v, int i);
224  void accumulate_row(SCVector *v, int i);
225 
226  double invert_this();
227  double determ_this();
228  double trace();
229  double solve_this(SCVector*);
230  void gen_invert_this();
231 
232  double scalar_product(SCVector*);
233  void diagonalize(DiagSCMatrix*,SCMatrix*);
234 
235  void accumulate(const SymmSCMatrix*);
236  void accumulate_symmetric_outer_product(SCVector*);
237  void accumulate_symmetric_product(SCMatrix*);
238  void accumulate_symmetric_sum(SCMatrix*);
239  void accumulate_transform(SCMatrix*,SymmSCMatrix*,
240  SCMatrix::Transform = SCMatrix::NormalTransform);
241  void accumulate_transform(SCMatrix*,DiagSCMatrix*,
242  SCMatrix::Transform = SCMatrix::NormalTransform);
243  void accumulate_transform(SymmSCMatrix*,SymmSCMatrix*);
244 
245  void convert_accumulate(SymmSCMatrix*a);
246 
247  void element_op(const Ref<SCElementOp>&);
248  void element_op(const Ref<SCElementOp2>&,
249  SymmSCMatrix*);
250  void element_op(const Ref<SCElementOp3>&,
251  SymmSCMatrix*,SymmSCMatrix*);
252 
253  void vprint(const char* title=0,
254  std::ostream& out=ExEnv::out0(), int =10) const;
255 
256  // BlockedSymmSCMatrix specific functions
257  RefSCDimension dim() const { return d; }
258  RefSCDimension dim(int) const;
259  int nblocks() const;
260  RefSymmSCMatrix block(int);
261 
262  Ref<SCMatrixSubblockIter> local_blocks(SCMatrixSubblockIter::Access);
263  Ref<SCMatrixSubblockIter> all_blocks(SCMatrixSubblockIter::Access);
264 };
265 
266 class BlockedDiagSCMatrix: public DiagSCMatrix {
267  friend class BlockedSCMatrix;
268  friend class BlockedSymmSCMatrix;
269  friend class BlockedSCVector;
270  private:
271  Ref<SCMatrixKit> subkit;
272  RefDiagSCMatrix *mats_;
273 
274  void resize(SCDimension*);
275 
276  public:
277  BlockedDiagSCMatrix(const RefSCDimension&,BlockedSCMatrixKit*);
278  ~BlockedDiagSCMatrix();
279 
280  // Save and restore this in an implementation independent way.
281  void save(StateOut&);
282  void restore(StateIn&);
283 
284  double get_element(int) const;
285  void set_element(int,double);
286  void accumulate_element(int,double);
287  void accumulate(const DiagSCMatrix*);
288 
289  double invert_this();
290  double determ_this();
291  double trace();
292  void gen_invert_this();
293 
294  void element_op(const Ref<SCElementOp>&);
295  void element_op(const Ref<SCElementOp2>&,
296  DiagSCMatrix*);
297  void element_op(const Ref<SCElementOp3>&,
298  DiagSCMatrix*,DiagSCMatrix*);
299  void vprint(const char* title=0,
300  std::ostream& out=ExEnv::out0(), int =10) const;
301 
302  // BlockedDiagSCMatrix specific functions
303  RefSCDimension dim() const { return d; }
304  RefSCDimension dim(int) const;
305  int nblocks() const;
306  RefDiagSCMatrix block(int);
307 
308  Ref<SCMatrixSubblockIter> local_blocks(SCMatrixSubblockIter::Access);
309  Ref<SCMatrixSubblockIter> all_blocks(SCMatrixSubblockIter::Access);
310 };
311 
312 class BlockedSCElementOp : public SCElementOp {
313  private:
314  int current_block_;
315 
316  public:
317  BlockedSCElementOp();
318  void working_on(int);
319  int current_block() const;
320 };
321 
322 class BlockedSCElementOp2 : public SCElementOp2 {
323  private:
324  int current_block_;
325 
326  public:
327  BlockedSCElementOp2();
328  void working_on(int);
329  int current_block() const;
330 };
331 
332 class BlockedSCElementOp3 : public SCElementOp3 {
333  private:
334  int current_block_;
335 
336  public:
337  BlockedSCElementOp3();
338  void working_on(int);
339  int current_block() const;
340 };
341 
342 }
343 
344 #endif
345 
346 // Local Variables:
347 // mode: c++
348 // c-file-style: "CLJ"
349 // End:
sc::BlockedSymmSCMatrix::get_row
SCVector * get_row(int i)
Return a row of this.
sc::BlockedSCMatrix::svd_this
void svd_this(SCMatrix *U, DiagSCMatrix *sigma, SCMatrix *V)
Compute the singular value decomposition for this, possibly destroying this.
sc::BlockedDiagSCMatrix::get_element
double get_element(int) const
Return or modify an element.
sc::SCElementOp2
The SCElementOp2 class is very similar to the SCElementOp class except that pairs of blocks are treat...
Definition: elemop.h:125
sc::BlockedSymmSCMatrix::accumulate_row
void accumulate_row(SCVector *v, int i)
Sum v to a row of this.
sc::BlockedSCVector::set_element
void set_element(int, double)
Set element i to val.
sc::BlockedDiagSCMatrix::element_op
void element_op(const Ref< SCElementOp > &)
Perform the element operation op on each element of this.
sc::BlockedSCVector::element_op
void element_op(const Ref< SCElementOp > &)
Perform the element operation op on each element of this.
sc::BlockedSCMatrix::element_op
void element_op(const Ref< SCElementOp > &)
Perform the element operation op on each element of this.
sc::BlockedSymmSCMatrix::assign_row
void assign_row(SCVector *v, int i)
Assign v to a row of this.
sc::SCDimension
The SCDimension class is used to determine the size and blocking of matrices.
Definition: dim.h:109
sc::BlockedDiagSCMatrix::trace
double trace()
Return the trace.
sc::SCVector
The SCVector class is the abstract base class for double valued vectors.
Definition: abstract.h:97
sc::BlockedSCVector::accumulate
void accumulate(const SCVector *)
Sum v into this.
sc::BlockedSCMatrixKit::matrix
SCMatrix * matrix(const RefSCDimension &, const RefSCDimension &)
Given the dimensions, create matrices or vectors.
sc::RefSymmSCMatrix
The RefSymmSCMatrix class is a smart pointer to an SCSymmSCMatrix specialization.
Definition: matrix.h:261
sc::BlockedSCMatrix::accumulate_outer_product
void accumulate_outer_product(SCVector *, SCVector *)
Sum into this the products of various vectors or matrices.
sc::BlockedSymmSCMatrix::accumulate_subblock
void accumulate_subblock(SCMatrix *, int, int, int, int)
Sum m into a subblock of this.
sc::RefSCMatrix
The RefSCMatrix class is a smart pointer to an SCMatrix specialization.
Definition: matrix.h:135
sc::Ref
A template class that maintains references counts.
Definition: ref.h:332
sc::BlockedSCVector::scalar_product
double scalar_product(SCVector *)
Return the dot product.
sc::BlockedSymmSCMatrix::save
void save(StateOut &)
Save and restore this in an implementation independent way.
sc::BlockedSCMatrix::schmidt_orthog_tol
int schmidt_orthog_tol(SymmSCMatrix *, double tol, double *res=0)
Schmidt orthogonalize this.
sc::SCMatrixKit
The SCMatrixKit abstract class acts as a factory for producing matrices.
Definition: abstract.h:58
sc::BlockedSymmSCMatrix::assign_subblock
void assign_subblock(SCMatrix *, int, int, int, int)
Assign m to a subblock of this.
sc::BlockedSCVector::local_blocks
Ref< SCMatrixSubblockIter > local_blocks(SCMatrixSubblockIter::Access)
Returns iterators for the local (rapidly accessible) blocks used in this vector.
sc::RefDiagSCMatrix
The RefDiagSCMatrix class is a smart pointer to an DiagSCMatrix specialization.
Definition: matrix.h:380
sc::BlockedSCMatrix::get_element
double get_element(int, int) const
Return or modify an element.
sc::BlockedSCVector
Definition: blocked.h:64
sc::DiagSCMatrix
The SymmSCMatrix class is the abstract base class for diagonal double valued matrices.
Definition: abstract.h:503
sc::BlockedSCMatrix::get_subblock
SCMatrix * get_subblock(int, int, int, int)
Return a subblock of this.
sc::BlockedSCMatrixKit
Definition: blocked.h:48
sc::SCElementOp
Objects of class SCElementOp are used to perform operations on the elements of matrices.
Definition: elemop.h:60
sc::BlockedSymmSCMatrix::get_subblock
SCMatrix * get_subblock(int, int, int, int)
Return a subblock of this.
sc::StateIn
Restores objects that derive from SavableState.
Definition: statein.h:70
sc::BlockedSCElementOp
Definition: blocked.h:312
sc::BlockedSCMatrix::all_blocks
Ref< SCMatrixSubblockIter > all_blocks(SCMatrixSubblockIter::Access)
Returns iterators for the all blocks used in this matrix.
sc::RefSCDimension
The RefSCDimension class is a smart pointer to an SCDimension specialization.
Definition: dim.h:156
sc::BlockedSCVector::get_element
double get_element(int) const
Return the value of element i.
sc::BlockedSCMatrix::assign_val
void assign_val(double)
Overridden to implement to assign members.
sc::BlockedSCMatrix::schmidt_orthog
void schmidt_orthog(SymmSCMatrix *, int)
Schmidt orthogonalize this.
sc::BlockedDiagSCMatrix::accumulate
void accumulate(const DiagSCMatrix *)
Sum m into this.
sc::BlockedDiagSCMatrix::determ_this
double determ_this()
Return the determinant of this. this is overwritten.
sc::BlockedSCMatrix::determ_this
double determ_this()
Return the determinant of this. this is overwritten.
sc::BlockedDiagSCMatrix::all_blocks
Ref< SCMatrixSubblockIter > all_blocks(SCMatrixSubblockIter::Access)
Returns iterators for the all blocks used in this matrix.
sc::BlockedSCMatrix::assign_subblock
void assign_subblock(SCMatrix *, int, int, int, int, int=0, int=0)
Assign m to a subblock of this.
sc::BlockedSCVector::accumulate_element
void accumulate_element(int, double)
Add val to element i.
sc::BlockedSCVector::all_blocks
Ref< SCMatrixSubblockIter > all_blocks(SCMatrixSubblockIter::Access)
Returns iterators for the all blocks used in this vector.
sc::BlockedSymmSCMatrix::determ_this
double determ_this()
Return the determinant of this. this is overwritten.
sc::BlockedSymmSCMatrix::all_blocks
Ref< SCMatrixSubblockIter > all_blocks(SCMatrixSubblockIter::Access)
Returns iterators for the all blocks used in this matrix.
sc::BlockedSCMatrix::assign_row
void assign_row(SCVector *v, int i)
Assign v to a row or column of this.
sc::BlockedSCMatrix::save
void save(StateOut &)
Save and restore this in an implementation independent way.
sc::BlockedSCMatrix::get_row
SCVector * get_row(int i)
Return a row or column of this.
sc::BlockedSymmSCMatrix::trace
double trace()
Return the trace.
sc::BlockedSymmSCMatrix::element_op
void element_op(const Ref< SCElementOp > &)
Perform the element operation op on each element of this.
sc::RefSCVector
The RefSCVector class is a smart pointer to an SCVector specialization.
Definition: matrix.h:55
sc::BlockedDiagSCMatrix::invert_this
double invert_this()
Invert this.
sc::StateOut
Serializes objects that derive from SavableState.
Definition: stateout.h:61
sc::BlockedSymmSCMatrix::scale
void scale(double)
Multiply all elements by val.
sc::BlockedSCElementOp2
Definition: blocked.h:322
sc::BlockedSCMatrix::invert_this
double invert_this()
Invert this.
sc::BlockedSCMatrix::accumulate
void accumulate(const SCMatrix *)
Sum m into this.
sc::SymmSCMatrix
The SymmSCMatrix class is the abstract base class for symmetric double valued matrices.
Definition: abstract.h:364
sc::BlockedSymmSCMatrix::local_blocks
Ref< SCMatrixSubblockIter > local_blocks(SCMatrixSubblockIter::Access)
Returns iterators for the local (rapidly accessible) blocks used in this matrix.
sc::BlockedDiagSCMatrix::local_blocks
Ref< SCMatrixSubblockIter > local_blocks(SCMatrixSubblockIter::Access)
Returns iterators for the local (rapidly accessible) blocks used in this matrix.
sc::BlockedDiagSCMatrix
Definition: blocked.h:266
sc::BlockedSymmSCMatrix
Definition: blocked.h:191
sc::BlockedSCElementOp3
Definition: blocked.h:332
sc::BlockedSCMatrix::accumulate_row
void accumulate_row(SCVector *v, int i)
Sum v to a row or column of this.
sc::ExEnv::out0
static std::ostream & out0()
Return an ostream that writes from node 0.
sc::SCMatrix
The SCMatrix class is the abstract base class for general double valued n by m matrices.
Definition: abstract.h:195
sc::BlockedSCMatrix::trace
double trace()
Return the trace.
sc::BlockedSymmSCMatrix::invert_this
double invert_this()
Invert this.
sc::BlockedDiagSCMatrix::gen_invert_this
void gen_invert_this()
Do a generalized inversion of this.
sc::SCElementOp3
The SCElementOp3 class is very similar to the SCElementOp class except that a triplet of blocks is tr...
Definition: elemop.h:147
sc::BlockedSCMatrix
Definition: blocked.h:115
sc::BlockedSymmSCMatrix::assign_val
void assign_val(double)
Overridden to implement the assign functions.
sc::BlockedSymmSCMatrix::scalar_product
double scalar_product(SCVector *)
Return the scalar obtained by multiplying this on the left and right by v.
sc::BlockedSCVector::save
void save(StateOut &)
Save and restore this in an implementation independent way.
sc::BlockedSCMatrix::transpose_this
void transpose_this()
Transpose this.
sc::BlockedSCMatrix::accumulate_subblock
void accumulate_subblock(SCMatrix *, int, int, int, int, int=0, int=0)
Sum m into a subblock of this.
sc::BlockedDiagSCMatrix::save
void save(StateOut &)
Save and restore this in an implementation independent way.
sc::BlockedSymmSCMatrix::get_element
double get_element(int, int) const
Return or modify an element.
sc::BlockedSymmSCMatrix::diagonalize
void diagonalize(DiagSCMatrix *, SCMatrix *)
Diagonalize this, placing the eigenvalues in d and the eigenvectors in m.
sc::BlockedSymmSCMatrix::accumulate
void accumulate(const SymmSCMatrix *)
Sum m into this.
sc::BlockedSCMatrix::local_blocks
Ref< SCMatrixSubblockIter > local_blocks(SCMatrixSubblockIter::Access)
Returns iterators for the local (rapidly accessible) blocks used in this matrix.
sc::BlockedSymmSCMatrix::accumulate_symmetric_sum
void accumulate_symmetric_sum(SCMatrix *)
Sum into this the products of various vectors or matrices.
sc::BlockedSCVector::assign_val
void assign_val(double)
Overridden to implement the assign functions.
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