Trisurf Monte Carlo simulator
Samo Penic
2014-04-29 b2fa8c6b55c420c079f285224f8d56ed03939767
src/bondflip.c
@@ -189,9 +189,8 @@
      if(vesicle->pswitch==1) delta_energy-= vesicle->pressure*dvol;
   }
    retval=TS_SUCCESS;
    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++){
@@ -206,7 +205,6 @@
         /* 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]);
@@ -214,13 +212,11 @@
         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;
        delta_energy+=delta_energy_cv;
    }
@@ -239,6 +235,9 @@
            //not accepted, reverting changes
       //restore all backups
//      fprintf(stderr,"Restoring!!!\n");
        if(vesicle->tape->constvolswitch == 1){
            constvolumerestore(constvol_vtx_moved,constvol_vtx_backup);
        }
      for(i=0;i<4;i++){
//         fprintf(stderr,"Restoring vtx neigh[%d] with neighbours %d\n",i, orig_vtx[i]->neigh_no );
@@ -263,9 +262,6 @@
      free(bck_bond);
        if(vesicle->tape->constvolswitch == 1){
            constvolumerestore(constvol_vtx_moved,constvol_vtx_backup);
        }
//      fprintf(stderr,"Restoration complete!!!\n");
      return TS_FAIL;
@@ -274,6 +270,9 @@
     /* IF BONDFLIP ACCEPTED, THEN RETURN SUCCESS! */
//            fprintf(stderr,"SUCCESS!!!\n");
    if(vesicle->tape->constvolswitch == 1){
        constvolumeaccept(vesicle,constvol_vtx_moved,constvol_vtx_backup);
    }
   // delete all backups
   for(i=0;i<4;i++){
   free(bck_vtx[i]->neigh);
@@ -288,9 +287,6 @@
*/   
   }
   free(bck_bond);
    if(vesicle->tape->constvolswitch == 1){
        constvolumeaccept(vesicle,constvol_vtx_moved,constvol_vtx_backup);
    }
    return TS_SUCCESS;
}