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45 #include "gromacs/utility/smalloc.h"
46 #include "gromacs/utility/txtdump.h"
48 void init_block(t_block *block)
51 block->nalloc_index = 1;
52 snew(block->index, block->nalloc_index);
56 void init_blocka(t_blocka *block)
60 block->nalloc_index = 1;
61 snew(block->index, block->nalloc_index);
67 t_blocka *new_blocka(void)
72 snew(block->index, 1);
77 void done_block(t_block *block)
81 block->nalloc_index = 0;
84 void done_blocka(t_blocka *block)
90 block->index = nullptr;
92 block->nalloc_index = 0;
96 void stupid_fill_block(t_block *grp, int natom, gmx_bool bOneIndexGroup)
100 grp->nalloc_index = 2;
101 snew(grp->index, grp->nalloc_index);
103 grp->index[1] = natom;
108 grp->nalloc_index = natom+1;
109 snew(grp->index, grp->nalloc_index);
110 snew(grp->index, natom+1);
111 for (int i = 0; i <= natom; ++i)
119 void stupid_fill_blocka(t_blocka *grp, int natom)
121 grp->nalloc_a = natom;
122 snew(grp->a, grp->nalloc_a);
123 for (int i = 0; i < natom; ++i)
129 grp->nalloc_index = natom + 1;
130 snew(grp->index, grp->nalloc_index);
131 for (int i = 0; i <= natom; ++i)
138 void copy_blocka(const t_blocka *src, t_blocka *dest)
141 /* Workaround for inconsistent handling of nalloc_index in
142 * other parts of the code. Often nalloc_index and nalloc_a
145 dest->nalloc_index = std::max(src->nalloc_index, dest->nr + 1);
146 snew(dest->index, dest->nalloc_index);
147 for (int i = 0; i < dest->nr+1; ++i)
149 dest->index[i] = src->index[i];
151 dest->nra = src->nra;
153 dest->nalloc_a = std::max(src->nalloc_a, dest->nra);
154 snew(dest->a, dest->nalloc_a);
155 for (int i = 0; i < dest->nra; ++i)
157 dest->a[i] = src->a[i];
161 static int pr_block_title(FILE *fp, int indent, const char *title, const t_block *block)
163 if (available(fp, block, indent, title))
165 indent = pr_title(fp, indent, title);
166 pr_indent(fp, indent);
167 fprintf(fp, "nr=%d\n", block->nr);
172 static int pr_blocka_title(FILE *fp, int indent, const char *title, const t_blocka *block)
174 if (available(fp, block, indent, title))
176 indent = pr_title(fp, indent, title);
177 pr_indent(fp, indent);
178 fprintf(fp, "nr=%d\n", block->nr);
179 pr_indent(fp, indent);
180 fprintf(fp, "nra=%d\n", block->nra);
185 static void low_pr_blocka(FILE *fp, int indent, const char *title, const t_blocka *block, gmx_bool bShowNumbers)
189 if (available(fp, block, indent, title))
191 indent = pr_blocka_title(fp, indent, title, block);
192 for (i = 0; i <= block->nr; i++)
194 pr_indent(fp, indent+INDENT);
195 fprintf(fp, "%s->index[%d]=%d\n",
196 title, bShowNumbers ? i : -1, block->index[i]);
198 for (i = 0; i < block->nra; i++)
200 pr_indent(fp, indent+INDENT);
201 fprintf(fp, "%s->a[%d]=%d\n",
202 title, bShowNumbers ? i : -1, block->a[i]);
207 void pr_block(FILE *fp, int indent, const char *title, const t_block *block, gmx_bool bShowNumbers)
211 if (available(fp, block, indent, title))
213 indent = pr_block_title(fp, indent, title, block);
215 if (block->index[start] != 0)
217 fprintf(fp, "block->index[%d] should be 0\n", start);
221 for (i = 0; i < block->nr; i++)
223 int end = block->index[i+1];
224 pr_indent(fp, indent);
227 fprintf(fp, "%s[%d]={}\n", title, i);
231 fprintf(fp, "%s[%d]={%d..%d}\n",
232 title, bShowNumbers ? i : -1,
233 bShowNumbers ? start : -1, bShowNumbers ? end-1 : -1);
241 void pr_blocka(FILE *fp, int indent, const char *title, const t_blocka *block, gmx_bool bShowNumbers)
243 int i, j, ok, size, start, end;
245 if (available(fp, block, indent, title))
247 indent = pr_blocka_title(fp, indent, title, block);
250 if ((ok = (block->index[start] == 0)) == 0)
252 fprintf(fp, "block->index[%d] should be 0\n", start);
256 for (i = 0; i < block->nr; i++)
258 end = block->index[i+1];
259 size = pr_indent(fp, indent);
262 size += fprintf(fp, "%s[%d]={", title, i);
266 size += fprintf(fp, "%s[%d][%d..%d]={",
267 title, bShowNumbers ? i : -1,
268 bShowNumbers ? start : -1, bShowNumbers ? end-1 : -1);
270 for (j = start; j < end; j++)
274 size += fprintf(fp, ", ");
276 if ((size) > (USE_WIDTH))
279 size = pr_indent(fp, indent+INDENT);
281 size += fprintf(fp, "%d", block->a[j]);
287 if ((end != block->nra) || (!ok))
289 pr_indent(fp, indent);
290 fprintf(fp, "tables inconsistent, dumping complete tables:\n");
291 low_pr_blocka(fp, indent, title, block, bShowNumbers);