Tape template beginning.

Samo Penic

2014-09-11 1bf3c3ad4e8c4f2ce35af71a40c67c6c8ce60ee2

 src/bondflip.c

@@ -169,7 +169,7 @@
  oldenergy+=it->xk* it->energy;
  //Neigbours of k, it, km, kp don't change its energy.

   if(vesicle->pswitch == 1 || vesicle->tape->constvolswitch==1){dvol = -lm->volume - lp->volume;}
   if(vesicle->pswitch == 1 || vesicle->tape->constvolswitch>0){dvol = -lm->volume - lp->volume;}
      
/*    vesicle_volume(vesicle);
    fprintf(stderr,"Volume in the beginning=%1.16e\n", vesicle->volume);
@@ -188,11 +188,41 @@
  //Neigbours of k, it, km, kp don't change its energy.

    delta_energy-=oldenergy;
   if(vesicle->pswitch == 1 || vesicle->tape->constvolswitch==1){
   if(vesicle->pswitch == 1 || vesicle->tape->constvolswitch>0){
      dvol = dvol + lm->volume + lp->volume;
      if(vesicle->pswitch==1) delta_energy-= vesicle->pressure*dvol;
   }

   if(vesicle->tape->constvolswitch == 2){
      /*check whether the dvol is gt than epsvol */
      if(fabs(vesicle->volume+dvol-V0)>epsvol){
         //restore old state.
         /* 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;

      }

   } else
    if(vesicle->tape->constvolswitch == 1){
        retval=constvolume(vesicle, it, -dvol, &delta_energy_cv, &constvol_vtx_moved,&constvol_vtx_backup);
        if(retval==TS_FAIL){
@@ -275,6 +305,9 @@
     /* IF BONDFLIP ACCEPTED, THEN RETURN SUCCESS! */
//            fprintf(stderr,"SUCCESS!!!\n");

 if(vesicle->tape->constvolswitch == 2){
   vesicle->volume+=dvol;
    } else
    if(vesicle->tape->constvolswitch == 1){
        constvolumeaccept(vesicle,constvol_vtx_moved,constvol_vtx_backup);
    }