Trisurf Monte Carlo simulator
Samo Penic
2014-09-11 7b0c077e18af45b1312c35aa52efb0211d1378c5
src/vertexmove.c
@@ -92,7 +92,7 @@
   memcpy((void *)&backupvtx[i+1],(void *)vtx->neigh[i],sizeof(ts_vertex));
   }
   if(vesicle->pswitch == 1 || vesicle->tape->constvolswitch==1){
   if(vesicle->pswitch == 1 || vesicle->tape->constvolswitch>0){
      for(i=0;i<vtx->tristar_no;i++) dvol-=vtx->tristar[i]->volume;
   };
@@ -113,11 +113,27 @@
        delta_energy+=vtx->neigh[i]->xk*(vtx->neigh[i]->energy-oenergy);
    }
   if(vesicle->pswitch == 1 || vesicle->tape->constvolswitch == 1){
   if(vesicle->pswitch == 1 || vesicle->tape->constvolswitch >0){
      for(i=0;i<vtx->tristar_no;i++) dvol+=vtx->tristar[i]->volume;
        if(vesicle->pswitch==1) delta_energy-=vesicle->pressure*dvol;
   };
   if(vesicle->tape->constvolswitch==2){
      /*check whether the dvol is gt than epsvol */
         //fprintf(stderr,"DVOL=%1.16e\n",dvol);
      if(fabs(vesicle->volume+dvol-V0)>epsvol){
         //restore old state.
          vtx=memcpy((void *)vtx,(void *)&backupvtx[0],sizeof(ts_vertex));
              for(i=0;i<vtx->neigh_no;i++){
                 vtx->neigh[i]=memcpy((void *)vtx->neigh[i],(void *)&backupvtx[i+1],sizeof(ts_vertex));
              }
                  for(i=0;i<vtx->tristar_no;i++) triangle_normal_vector(vtx->tristar[i]);
                  //fprintf(stderr,"fajlam!\n");
                  return TS_FAIL;
      }
   } else
//    vesicle_volume(vesicle);
//    fprintf(stderr,"Volume before=%1.16e\n", vesicle->volume);
   if(vesicle->tape->constvolswitch == 1){
@@ -189,6 +205,9 @@
      
   }
    if(vesicle->tape->constvolswitch == 2){
   vesicle->volume+=dvol;
    } else
    if(vesicle->tape->constvolswitch == 1){
        constvolumeaccept(vesicle,constvol_vtx_moved,constvol_vtx_backup);
    }