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46 #include "gromacs/utility/listoflists.h"
47 #include "gromacs/utility/smalloc.h"
48 #include "gromacs/utility/txtdump.h"
50 void gmx::RangePartitioning::setAllBlocksSizeOne(int numBlocksToSet)
52 if (!allBlocksHaveSizeOne())
56 if (numBlocksToSet < numBlocks())
58 index_.resize(numBlocksToSet + 1);
60 else if (numBlocksToSet > numBlocks())
62 for (int b = numBlocks(); b < numBlocksToSet; b++)
69 void init_block(t_block* block)
72 block->nalloc_index = 1;
73 snew(block->index, block->nalloc_index);
77 void init_block_null(t_block* block)
80 block->nalloc_index = 0;
81 block->index = nullptr;
84 void init_blocka(t_blocka* block)
88 block->nalloc_index = 1;
89 snew(block->index, block->nalloc_index);
95 void init_blocka_null(t_blocka* block)
99 block->nalloc_index = 0;
100 block->index = nullptr;
105 t_blocka* new_blocka()
107 t_blocka* block = nullptr;
110 snew(block->index, 1);
115 void done_block(t_block* block)
119 block->index = nullptr;
120 block->nalloc_index = 0;
123 void done_blocka(t_blocka* block)
129 block->index = nullptr;
131 block->nalloc_index = 0;
135 void stupid_fill_block(t_block* grp, int natom, gmx_bool bOneIndexGroup)
139 grp->nalloc_index = 2;
140 srenew(grp->index, grp->nalloc_index);
142 grp->index[1] = natom;
147 grp->nalloc_index = natom + 1;
148 srenew(grp->index, grp->nalloc_index);
149 for (int i = 0; i <= natom; ++i)
157 void stupid_fill_blocka(t_blocka* grp, int natom)
159 grp->nalloc_a = natom;
160 snew(grp->a, grp->nalloc_a);
161 for (int i = 0; i < natom; ++i)
167 grp->nalloc_index = natom + 1;
168 snew(grp->index, grp->nalloc_index);
169 for (int i = 0; i <= natom; ++i)
176 void copy_blocka(const t_blocka* src, t_blocka* dest)
179 /* Workaround for inconsistent handling of nalloc_index in
180 * other parts of the code. Often nalloc_index and nalloc_a
183 dest->nalloc_index = std::max(src->nalloc_index, dest->nr + 1);
184 snew(dest->index, dest->nalloc_index);
185 for (int i = 0; i < dest->nr + 1; ++i)
187 dest->index[i] = src->index[i];
189 dest->nra = src->nra;
191 dest->nalloc_a = std::max(src->nalloc_a, dest->nra);
192 snew(dest->a, dest->nalloc_a);
193 for (int i = 0; i < dest->nra; ++i)
195 dest->a[i] = src->a[i];
199 static int pr_block_title(FILE* fp, int indent, const char* title, const t_block* block)
201 if (available(fp, block, indent, title))
203 indent = pr_title(fp, indent, title);
204 pr_indent(fp, indent);
205 fprintf(fp, "nr=%d\n", block->nr);
210 static int pr_blocka_title(FILE* fp, int indent, const char* title, const t_blocka* block)
212 if (available(fp, block, indent, title))
214 indent = pr_title(fp, indent, title);
215 pr_indent(fp, indent);
216 fprintf(fp, "nr=%d\n", block->nr);
217 pr_indent(fp, indent);
218 fprintf(fp, "nra=%d\n", block->nra);
223 static int pr_listoflists_title(FILE* fp, int indent, const char* title, const gmx::ListOfLists<int>* lists)
225 if (available(fp, lists, indent, title))
227 indent = pr_title(fp, indent, title);
228 pr_indent(fp, indent);
229 fprintf(fp, "numLists=%zu\n", lists->size());
230 pr_indent(fp, indent);
231 fprintf(fp, "numElements=%d\n", lists->numElements());
236 static void low_pr_blocka(FILE* fp, int indent, const char* title, const t_blocka* block, gmx_bool bShowNumbers)
238 if (available(fp, block, indent, title))
240 indent = pr_blocka_title(fp, indent, title, block);
241 for (int i = 0; i <= block->nr; i++)
243 pr_indent(fp, indent + INDENT);
244 fprintf(fp, "%s->index[%d]=%d\n", title, bShowNumbers ? i : -1, block->index[i]);
246 for (int i = 0; i < block->nra; i++)
248 pr_indent(fp, indent + INDENT);
249 fprintf(fp, "%s->a[%d]=%d\n", title, bShowNumbers ? i : -1, block->a[i]);
254 void pr_block(FILE* fp, int indent, const char* title, const t_block* block, gmx_bool bShowNumbers)
256 if (available(fp, block, indent, title))
258 indent = pr_block_title(fp, indent, title, block);
260 if (block->index[start] != 0)
262 fprintf(fp, "block->index[%d] should be 0\n", start);
266 for (int i = 0; i < block->nr; i++)
268 int end = block->index[i + 1];
269 pr_indent(fp, indent);
272 fprintf(fp, "%s[%d]={}\n", title, i);
279 bShowNumbers ? i : -1,
280 bShowNumbers ? start : -1,
281 bShowNumbers ? end - 1 : -1);
289 void pr_blocka(FILE* fp, int indent, const char* title, const t_blocka* block, gmx_bool bShowNumbers)
293 if (available(fp, block, indent, title))
295 indent = pr_blocka_title(fp, indent, title, block);
298 ok = (block->index[start] == 0);
301 fprintf(fp, "block->index[%d] should be 0\n", start);
305 for (int i = 0; i < block->nr; i++)
307 end = block->index[i + 1];
308 int size = pr_indent(fp, indent);
311 size += fprintf(fp, "%s[%d]={", title, i);
318 bShowNumbers ? i : -1,
319 bShowNumbers ? start : -1,
320 bShowNumbers ? end - 1 : -1);
322 for (int j = start; j < end; j++)
326 size += fprintf(fp, ", ");
328 if ((size) > (USE_WIDTH))
331 size = pr_indent(fp, indent + INDENT);
333 size += fprintf(fp, "%d", block->a[j]);
339 if ((end != block->nra) || (!ok))
341 pr_indent(fp, indent);
342 fprintf(fp, "tables inconsistent, dumping complete tables:\n");
343 low_pr_blocka(fp, indent, title, block, bShowNumbers);
348 void pr_listoflists(FILE* fp, int indent, const char* title, const gmx::ListOfLists<int>* lists, gmx_bool bShowNumbers)
350 if (available(fp, lists, indent, title))
352 indent = pr_listoflists_title(fp, indent, title, lists);
353 for (gmx::index i = 0; i < lists->ssize(); i++)
355 int size = pr_indent(fp, indent);
356 gmx::ArrayRef<const int> list = (*lists)[i];
359 size += fprintf(fp, "%s[%d]={", title, int(i));
363 size += fprintf(fp, "%s[%d][num=%zu]={", title, bShowNumbers ? int(i) : -1, list.size());
366 for (const int j : list)
370 size += fprintf(fp, ", ");
372 if ((size) > (USE_WIDTH))
375 size = pr_indent(fp, indent + INDENT);
377 size += fprintf(fp, "%d", j);
385 void copy_block(const t_block* src, t_block* dst)
388 /* Workaround for inconsistent handling of nalloc_index in
389 * other parts of the code. Often nalloc_index and nalloc_a
392 dst->nalloc_index = std::max(src->nalloc_index, dst->nr + 1);
393 snew(dst->index, dst->nalloc_index);
394 for (int i = 0; i < dst->nr + 1; ++i)
396 dst->index[i] = src->index[i];