Trisurf Monte Carlo simulator
Samo Penic
2018-09-25 5eefcc281fda031d322599fd7094da4fc8450948
src/vertexmove.c
@@ -99,7 +99,13 @@
        return TS_FAIL;
    } 
   
// plane confinement test
   if(vesicle->tape->plane_confinement_switch){
      if(vtx->z > vesicle->confinement_plane.z_max || vtx->z < vesicle->confinement_plane.z_min){
            vtx=memcpy((void *)vtx,(void *)&backupvtx[0],sizeof(ts_vertex));
            return TS_FAIL;
      }
   }
//if all the tests are successful, then energy for vtx and neighbours is calculated
   for(i=0;i<vtx->neigh_no;i++){
   memcpy((void *)&backupvtx[i+1],(void *)vtx->neigh[i],sizeof(ts_vertex));
@@ -189,6 +195,8 @@
    delta_energy+=delta_energy_cv;
//    fprintf(stderr,"Denergy after=%e\n",delta_energy);
    }
/* Vertices with spontaneous curvature may have spontaneous force perpendicular to the surface of the vesicle. additional delta energy is calculated in this function */
   delta_energy+=direct_force_energy(vesicle,vtx,backupvtx);
/* No poly-bond energy for now!
   if(vtx->grafted_poly!=NULL){
      delta_energy+=
@@ -198,6 +206,18 @@
*/
//   fprintf(stderr, "DE=%f\n",delta_energy);
    //MONTE CARLOOOOOOOO
//   if(vtx->c!=0.0) printf("DE=%f\n",delta_energy);
// plane confinement
   if(vesicle->tape->plane_confinement_switch){
      //if planes are not close enough, then repusion force is on
      if(vesicle->confinement_plane.z_max-vesicle->confinement_plane.z_min > vesicle->tape->plane_d){
         //ts_fprintf(stderr,"force!!!\n");
         delta_energy-=vesicle->tape->plane_F * ( 1.0/pow(backupvtx->z-vesicle->confinement_plane.z_min,2) + 1.0/pow(-backupvtx->z+vesicle->confinement_plane.z_max,2) );
         delta_energy+=vesicle->tape->plane_F * ( 1.0/pow(vtx->z-vesicle->confinement_plane.z_min,2) + +1.0/pow(-vtx->z+vesicle->confinement_plane.z_max,2) );
      }
   }
// end plane confinement
    if(delta_energy>=0){
#ifdef TS_DOUBLE_DOUBLE
        if(exp(-delta_energy)< drand48())