| 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 |
|
|