310 |
|
the_sris = new SRI*[simnfo->n_SRI]; |
311 |
|
the_excludes = new int[2 * simnfo->n_SRI]; |
312 |
|
simnfo->globalExcludes = new int; |
313 |
+ |
simnfo->n_exclude = tot_SRI; |
314 |
|
} |
315 |
|
else{ |
316 |
< |
the_excludes = new int; |
316 |
> |
|
317 |
> |
the_excludes = new int[2]; |
318 |
> |
the_excludes[0] = 0; |
319 |
> |
the_excludes[1] = 0; |
320 |
|
simnfo->globalExcludes = new int; |
321 |
+ |
simnfo->globalExcludes[0] = 0; |
322 |
+ |
|
323 |
+ |
simnfo->n_exclude = 1; |
324 |
|
} |
325 |
|
|
326 |
|
// set the arrays into the SimInfo object |
327 |
|
|
328 |
|
simnfo->atoms = the_atoms; |
329 |
|
simnfo->sr_interactions = the_sris; |
323 |
– |
simnfo->n_exclude = tot_SRI; |
330 |
|
simnfo->nGlobalExcludes = 0; |
331 |
|
simnfo->excludes = the_excludes; |
332 |
|
|