Trisurf Monte Carlo simulator
Samo Penic
2019-03-08 a26a909b45161c46d018322b82263ce6764b64fa
src/vertexmove.c
@@ -20,7 +20,7 @@
    ts_uint i;
    ts_bool retval; 
    ts_uint cellidx; 
    ts_double delta_energy, oenergy, darea=0.0, dstretchenergy=0.0;
    ts_double delta_energy, oenergy,dstretchenergy=0.0;
    ts_double costheta,sintheta,phi,r;
   //This will hold all the information of vtx and its neighbours
    ts_vertex backupvtx[20]; // *constvol_vtx_moved=NULL, *constvol_vtx_backup=NULL;
@@ -60,22 +60,15 @@
      vesicle->plist->pointer->plugin->function->vm_energy_before_prepare(vesicle, vtx);
      vesicle->plist->pointer=vesicle->plist->pointer->next;
   }
/* End of vm_energy_before_prepare() */
    if(vesicle->tape->constareaswitch==2){
      for(i=0;i<vtx->tristar_no;i++) darea-=vtx->tristar[i]->area;
    }
   //stretching energy 1 of 3
   if(vesicle->tape->stretchswitch==1){
      for(i=0;i<vtx->tristar_no;i++) dstretchenergy-=vtx->tristar[i]->energy;
   }
    delta_energy=0;
//    vesicle_volume(vesicle);
//    fprintf(stderr,"Volume in the beginning=%1.16e\n", vesicle->volume);
    //update the normals of triangles that share bead i.
//update the normals of triangles that share bead i.
    for(i=0;i<vtx->tristar_no;i++) triangle_normal_vector(vtx->tristar[i]);
   oenergy=vtx->energy;
    energy_vertex(vtx);
@@ -96,24 +89,6 @@
      vesicle->plist->pointer=vesicle->plist->pointer->next;
   }
    if(vesicle->tape->constareaswitch==2){
        /* check whether the darea is gt epsarea */
      for(i=0;i<vtx->tristar_no;i++) darea+=vtx->tristar[i]->area;
        if(fabs(vesicle->area+darea-A0)>epsarea){
           //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;
      }
    }
/* 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);
@@ -221,12 +196,6 @@
      retval=cell_add_vertex(vesicle->clist->cell[cellidx],vtx);
      if(retval==TS_SUCCESS) cell_remove_vertex(backupvtx[0].cell,vtx);   
   }
    if(vesicle->tape->constareaswitch==2){
        vesicle->area+=darea;
    }
/* Entry point for plugin vm_before_montecarlo_constraint() function */
   vesicle->plist->pointer=vesicle->plist->chain->vm_new_state_accepted;