Isak's proposal for stretching energy calculation, take 1

Samo Penic

2018-06-21 620ba72765eda244ca3f3806b8ad709929e74b3c

 src/bondflip.c

@@ -40,6 +40,7 @@
    ts_double delta_energy_cv;
    ts_vertex *constvol_vtx_moved, *constvol_vtx_backup;
    ts_bool retval;
   ts_double temp_area=0.0;

    if(it->neigh_no< 3) return TS_FAIL;
    if(k->neigh_no< 3) return TS_FAIL;
@@ -176,6 +177,9 @@
/*    vesicle_volume(vesicle);
    fprintf(stderr,"Volume in the beginning=%1.16e\n", vesicle->volume);
*/
   if(vesicle->tape->stretchswitch==1){
      temp_area=vesicle->area-lm->area-lp->area;
   }
/* fix data structure for flipped bond */
    ts_flip_bond(k,it,km,kp, bond,lm, lp, lm2, lp1, vesicle->tape->w);

@@ -189,10 +193,13 @@
  delta_energy+=bond->energy; /* attraction with neighboring vertices, that have spontaneous curvature */
  //Neigbours of k, it, km, kp don't change its energy.
   if(vesicle->tape->stretchswitch==1){
      oldenergy+=lm->energy+lp->energy;
/*      oldenergy+=lm->energy+lp->energy;
      stretchenergy(vesicle,lm);
      stretchenergy(vesicle,lp);
      delta_energy+=lm->energy+lp->energy;
   */
      temp_area=temp_area+lm->area+lp->area;
      delta_energy+=stretchenergy2(temp_area,vesicle->tlist->a0*vesicle->tlist->n)-stretchenergy2(vesicle->area,vesicle->tlist->a0*vesicle->tlist->n);
   }

    delta_energy-=oldenergy;
@@ -339,11 +346,11 @@
//      fprintf(stderr,"Restoration complete!!!\n");
//    vesicle_volume(vesicle);
//    fprintf(stderr,"Volume after fail=%1.16e\n", vesicle->volume);
   if(vesicle->tape->stretchswitch==1){
/*   if(vesicle->tape->stretchswitch==1){
      stretchenergy(vesicle,lm);
      stretchenergy(vesicle,lp);
   }

*/
      return TS_FAIL;
        }
    }
@@ -358,6 +365,10 @@
    if(vesicle->tape->constareaswitch==2){
        vesicle->area+=darea;
    }
   if(vesicle->tape->stretchswitch==1){
      vesicle->area=temp_area;
   }

   // delete all backups
   for(i=0;i<4;i++){
   free(bck_vtx[i]->neigh);