# | Line 314 | Line 314 | void SimSetup::createSim( void ){ | |
---|---|---|
314 | ||
315 | if(mol2proc[i] == worldRank ){ | |
316 | the_molecules[molIndex].setStampID( molCompType[i] ); | |
317 | + | the_molecules[molIndex].setMyIndex( molIndex ); |
318 | molIndex++; | |
319 | } | |
320 | } | |
# | Line 324 | Line 325 | void SimSetup::createSim( void ){ | |
325 | for(i=0; i<n_components; i++){ | |
326 | for(j=0; j<components_nmol[i]; j++ ){ | |
327 | the_molecules[molIndex].setStampID( i ); | |
328 | + | the_molecules[molIndex].setMyIndex( molIndex ); |
329 | molIndex++; | |
330 | } | |
331 | } | |
# | Line 333 | Line 335 | void SimSetup::createSim( void ){ | |
335 | ||
336 | ||
337 | if( simnfo->n_SRI ){ | |
336 | – | |
337 | – | std::cerr << "n_SRI = " << simnfo->n_SRI << "\n"; |
338 | ||
339 | Exclude::createArray(simnfo->n_SRI); | |
340 | the_excludes = new Exclude*[simnfo->n_SRI]; | |
341 | for( int ex=0; ex<simnfo->n_SRI; ex++) the_excludes[ex] = new Exclude(ex); | |
342 | simnfo->globalExcludes = new int; | |
343 | < | simnfo->n_exclude = tot_SRI; |
343 | > | simnfo->n_exclude = simnfo->n_SRI; |
344 | } | |
345 | else{ | |
346 | ||
# | Line 932 | Line 932 | void SimSetup::makeMolecules( void ){ | |
932 | ||
933 | ||
934 | the_molecules[i].initialize( info ); | |
935 | + | |
936 | + | |
937 | atomOffset += info.nAtoms; | |
938 | delete[] theBonds; | |
939 | delete[] theBends; |
– | Removed lines |
+ | Added lines |
< | Changed lines |
> | Changed lines |