Trisurf Monte Carlo simulator
Samo Penic
2014-06-13 d27c077296c88b4a78288bed7454c3a60279c26e
src/bondflip.c
@@ -170,6 +170,10 @@
  //Neigbours of k, it, km, kp don't change its energy.
   if(vesicle->pswitch == 1 || vesicle->tape->constvolswitch==1){dvol = -lm->volume - lp->volume;}
/*    vesicle_volume(vesicle);
    fprintf(stderr,"Volume in the beginning=%1.16e\n", vesicle->volume);
*/
/* fix data structure for flipped bond */
    ts_flip_bond(k,it,km,kp, bond,lm, lp, lm2, lp1);
@@ -190,32 +194,31 @@
   }
    if(vesicle->tape->constvolswitch == 1){
        retval=constvolume(vesicle, it, dvol, &delta_energy_cv, &constvol_vtx_moved,&constvol_vtx_backup);
        retval=constvolume(vesicle, it, -dvol, &delta_energy_cv, &constvol_vtx_moved,&constvol_vtx_backup);
        if(retval==TS_FAIL){
/* restoration procedure copied from few lines below */
      for(i=0;i<4;i++){
//         fprintf(stderr,"Restoring vtx neigh[%d] with neighbours %d\n",i, orig_vtx[i]->neigh_no );
         free(orig_vtx[i]->neigh);
         free(orig_vtx[i]->tristar);
         free(orig_vtx[i]->bond);
         free(orig_tria[i]->neigh);
         memcpy((void *)orig_vtx[i],(void *)bck_vtx[i],sizeof(ts_vertex));
         memcpy((void *)orig_tria[i],(void *)bck_tria[i],sizeof(ts_triangle));
//         fprintf(stderr,"Restored vtx neigh[%d] with neighbours %d\n",i, orig_vtx[i]->neigh_no );
         /* level 2 pointers are redirected*/
      }
      memcpy(bond,bck_bond,sizeof(ts_bond));
      for(i=0;i<4;i++){
         free(bck_vtx[i]);
         free(bck_tria[i]);
/*         fprintf(stderr,"Restoring vtx neigh[%d] with neighbours %d =",i, orig_vtx[i]->neigh_no );
         for(j=0;j<orig_vtx[i]->neigh_no;j++) fprintf(stderr," %d", orig_vtx[i]->neigh[j]->idx);
         fprintf(stderr,"\n"); */
      }
      free(bck_bond);
        return TS_FAIL;
            for(i=0;i<4;i++){
    //         fprintf(stderr,"Restoring vtx neigh[%d] with neighbours %d\n",i, orig_vtx[i]->neigh_no );
                free(orig_vtx[i]->neigh);
                free(orig_vtx[i]->tristar);
                free(orig_vtx[i]->bond);
                free(orig_tria[i]->neigh);
                memcpy((void *)orig_vtx[i],(void *)bck_vtx[i],sizeof(ts_vertex));
                memcpy((void *)orig_tria[i],(void *)bck_tria[i],sizeof(ts_triangle));
    //         fprintf(stderr,"Restored vtx neigh[%d] with neighbours %d\n",i, orig_vtx[i]->neigh_no );
                /* level 2 pointers are redirected*/
            }
            memcpy(bond,bck_bond,sizeof(ts_bond));
            for(i=0;i<4;i++){
                free(bck_vtx[i]);
                free(bck_tria[i]);
    /*         fprintf(stderr,"Restoring vtx neigh[%d] with neighbours %d =",i, orig_vtx[i]->neigh_no );
                for(j=0;j<orig_vtx[i]->neigh_no;j++) fprintf(stderr," %d", orig_vtx[i]->neigh[j]->idx);
                fprintf(stderr,"\n"); */
            }
            free(bck_bond);
            return TS_FAIL;
        }
        delta_energy+=delta_energy_cv;
    }
@@ -263,6 +266,8 @@
      free(bck_bond);
//      fprintf(stderr,"Restoration complete!!!\n");
//    vesicle_volume(vesicle);
//    fprintf(stderr,"Volume after fail=%1.16e\n", vesicle->volume);
      return TS_FAIL;
        }
@@ -288,6 +293,8 @@
   }
   free(bck_bond);
//    vesicle_volume(vesicle);
//    fprintf(stderr,"Volume after success=%1.16e\n", vesicle->volume);
    return TS_SUCCESS;
}