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45 #include "gromacs/utility/listoflists.h"
46 #include "gromacs/utility/smalloc.h"
47 #include "gromacs/utility/txtdump.h"
49 void gmx::RangePartitioning::setAllBlocksSizeOne(int numBlocksToSet)
51 if (!allBlocksHaveSizeOne())
55 if (numBlocksToSet < numBlocks())
57 index_.resize(numBlocksToSet + 1);
59 else if (numBlocksToSet > numBlocks())
61 for (int b = numBlocks(); b < numBlocksToSet; b++)
68 void init_block(t_block* block)
71 block->nalloc_index = 1;
72 snew(block->index, block->nalloc_index);
76 void init_block_null(t_block* block)
79 block->nalloc_index = 0;
80 block->index = nullptr;
83 void init_blocka(t_blocka* block)
87 block->nalloc_index = 1;
88 snew(block->index, block->nalloc_index);
94 void init_blocka_null(t_blocka* block)
98 block->nalloc_index = 0;
99 block->index = nullptr;
104 t_blocka* new_blocka()
109 snew(block->index, 1);
114 void done_block(t_block* block)
118 block->index = nullptr;
119 block->nalloc_index = 0;
122 void done_blocka(t_blocka* block)
128 block->index = nullptr;
130 block->nalloc_index = 0;
134 void stupid_fill_block(t_block* grp, int natom, gmx_bool bOneIndexGroup)
138 grp->nalloc_index = 2;
139 srenew(grp->index, grp->nalloc_index);
141 grp->index[1] = natom;
146 grp->nalloc_index = natom + 1;
147 srenew(grp->index, grp->nalloc_index);
148 for (int i = 0; i <= natom; ++i)
156 void stupid_fill_blocka(t_blocka* grp, int natom)
158 grp->nalloc_a = natom;
159 snew(grp->a, grp->nalloc_a);
160 for (int i = 0; i < natom; ++i)
166 grp->nalloc_index = natom + 1;
167 snew(grp->index, grp->nalloc_index);
168 for (int i = 0; i <= natom; ++i)
175 void copy_blocka(const t_blocka* src, t_blocka* dest)
178 /* Workaround for inconsistent handling of nalloc_index in
179 * other parts of the code. Often nalloc_index and nalloc_a
182 dest->nalloc_index = std::max(src->nalloc_index, dest->nr + 1);
183 snew(dest->index, dest->nalloc_index);
184 for (int i = 0; i < dest->nr + 1; ++i)
186 dest->index[i] = src->index[i];
188 dest->nra = src->nra;
190 dest->nalloc_a = std::max(src->nalloc_a, dest->nra);
191 snew(dest->a, dest->nalloc_a);
192 for (int i = 0; i < dest->nra; ++i)
194 dest->a[i] = src->a[i];
198 static int pr_block_title(FILE* fp, int indent, const char* title, const t_block* block)
200 if (available(fp, block, indent, title))
202 indent = pr_title(fp, indent, title);
203 pr_indent(fp, indent);
204 fprintf(fp, "nr=%d\n", block->nr);
209 static int pr_blocka_title(FILE* fp, int indent, const char* title, const t_blocka* block)
211 if (available(fp, block, indent, title))
213 indent = pr_title(fp, indent, title);
214 pr_indent(fp, indent);
215 fprintf(fp, "nr=%d\n", block->nr);
216 pr_indent(fp, indent);
217 fprintf(fp, "nra=%d\n", block->nra);
222 static int pr_listoflists_title(FILE* fp, int indent, const char* title, const gmx::ListOfLists<int>* lists)
224 if (available(fp, lists, indent, title))
226 indent = pr_title(fp, indent, title);
227 pr_indent(fp, indent);
228 fprintf(fp, "numLists=%zu\n", lists->size());
229 pr_indent(fp, indent);
230 fprintf(fp, "numElements=%d\n", lists->numElements());
235 static void low_pr_blocka(FILE* fp, int indent, const char* title, const t_blocka* block, gmx_bool bShowNumbers)
239 if (available(fp, block, indent, title))
241 indent = pr_blocka_title(fp, indent, title, block);
242 for (i = 0; i <= block->nr; i++)
244 pr_indent(fp, indent + INDENT);
245 fprintf(fp, "%s->index[%d]=%d\n", title, bShowNumbers ? i : -1, block->index[i]);
247 for (i = 0; i < block->nra; i++)
249 pr_indent(fp, indent + INDENT);
250 fprintf(fp, "%s->a[%d]=%d\n", title, bShowNumbers ? i : -1, block->a[i]);
255 void pr_block(FILE* fp, int indent, const char* title, const t_block* block, gmx_bool bShowNumbers)
259 if (available(fp, block, indent, title))
261 indent = pr_block_title(fp, indent, title, block);
263 if (block->index[start] != 0)
265 fprintf(fp, "block->index[%d] should be 0\n", start);
269 for (i = 0; i < block->nr; i++)
271 int end = block->index[i + 1];
272 pr_indent(fp, indent);
275 fprintf(fp, "%s[%d]={}\n", title, i);
279 fprintf(fp, "%s[%d]={%d..%d}\n", title, bShowNumbers ? i : -1,
280 bShowNumbers ? start : -1, bShowNumbers ? end - 1 : -1);
288 void pr_blocka(FILE* fp, int indent, const char* title, const t_blocka* block, gmx_bool bShowNumbers)
290 int i, j, ok, size, start, end;
292 if (available(fp, block, indent, title))
294 indent = pr_blocka_title(fp, indent, title, block);
297 if ((ok = static_cast<int>(block->index[start] == 0)) == 0)
299 fprintf(fp, "block->index[%d] should be 0\n", start);
303 for (i = 0; i < block->nr; i++)
305 end = block->index[i + 1];
306 size = pr_indent(fp, indent);
309 size += fprintf(fp, "%s[%d]={", title, i);
313 size += fprintf(fp, "%s[%d][%d..%d]={", title, bShowNumbers ? i : -1,
314 bShowNumbers ? start : -1, bShowNumbers ? end - 1 : -1);
316 for (j = start; j < end; j++)
320 size += fprintf(fp, ", ");
322 if ((size) > (USE_WIDTH))
325 size = pr_indent(fp, indent + INDENT);
327 size += fprintf(fp, "%d", block->a[j]);
333 if ((end != block->nra) || (!ok))
335 pr_indent(fp, indent);
336 fprintf(fp, "tables inconsistent, dumping complete tables:\n");
337 low_pr_blocka(fp, indent, title, block, bShowNumbers);
342 void pr_listoflists(FILE* fp, int indent, const char* title, const gmx::ListOfLists<int>* lists, gmx_bool bShowNumbers)
344 if (available(fp, lists, indent, title))
346 indent = pr_listoflists_title(fp, indent, title, lists);
347 for (gmx::index i = 0; i < lists->ssize(); i++)
349 int size = pr_indent(fp, indent);
350 gmx::ArrayRef<const int> list = (*lists)[i];
353 size += fprintf(fp, "%s[%d]={", title, int(i));
357 size += fprintf(fp, "%s[%d][num=%zu]={", title, bShowNumbers ? int(i) : -1, list.size());
360 for (const int j : list)
364 size += fprintf(fp, ", ");
366 if ((size) > (USE_WIDTH))
369 size = pr_indent(fp, indent + INDENT);
371 size += fprintf(fp, "%d", j);
379 void copy_block(const t_block* src, t_block* dst)
382 /* Workaround for inconsistent handling of nalloc_index in
383 * other parts of the code. Often nalloc_index and nalloc_a
386 dst->nalloc_index = std::max(src->nalloc_index, dst->nr + 1);
387 snew(dst->index, dst->nalloc_index);
388 for (int i = 0; i < dst->nr + 1; ++i)
390 dst->index[i] = src->index[i];