commiting before checking out onother branch

Samo Penic

2013-12-07 ded11ede7e9eb11c216d35d61ab9331e697f47bc

 src/vertexmove.c

@@ -20,55 +20,73 @@
    ts_bool retval; 
    ts_uint cellidx; 
    ts_double delta_energy,oenergy;
    ts_double costheta,sintheta,phi,r;
   //This will hold all the information of vtx and its neighbours
   ts_vertex **backupvtx=(ts_vertex **)calloc(vtx->neigh_no+1,sizeof(ts_vertex *));
   backupvtx[0]=(ts_vertex *)malloc(sizeof(ts_vertex));	
   backupvtx[0]=(ts_vertex *)memcpy((void *)backupvtx[0],(void *)vtx,sizeof(ts_vertex));
   ts_vertex backupvtx[20];
   memcpy((void *)&backupvtx[0],(void *)vtx,sizeof(ts_vertex));

   //Some stupid tests for debugging cell occupation!
/*        cellidx=vertex_self_avoidance(vesicle, vtx);
   if(vesicle->clist->cell[cellidx]==vtx->cell){
      fprintf(stderr,"Idx match!\n");
   } else {
      fprintf(stderr,"***** Idx don't match!\n");
      fatal("ENding.",1);
   }
*/

       //temporarly moving the vertex
   vtx->x=vtx->x+vesicle->stepsize*(2.0*rn[0]-1.0);
       vtx->y=vtx->y+vesicle->stepsize*(2.0*rn[1]-1.0);
       vtx->z=vtx->z+vesicle->stepsize*(2.0*rn[2]-1.0);
       //check we if some length to neighbours are too much
    for(i=0;i<vtx->neigh_no;i++){
        dist=vtx_distance_sq(vtx,vtx->neigh[i]);
//   vtx->x=vtx->x+vesicle->stepsize*(2.0*rn[0]-1.0);
//       vtx->y=vtx->y+vesicle->stepsize*(2.0*rn[1]-1.0);
//       vtx->z=vtx->z+vesicle->stepsize*(2.0*rn[2]-1.0);

   //random move in a sphere with radius stepsize:
   r=vesicle->stepsize*rn[0];
   phi=rn[1]*2*M_PI;
   costheta=2*rn[2]-1;
   sintheta=sqrt(1-pow(costheta,2));
   vtx->x=vtx->x+r*sintheta*cos(phi);
   vtx->y=vtx->y+r*sintheta*sin(phi);
   vtx->z=vtx->z+r*costheta;


       //distance with neighbours check
    for(i=0;i<vtx->neigh->n;i++){
        dist=vtx_distance_sq(vtx,vtx->neigh->vtx[i]);
        if(dist<1.0 || dist>vesicle->dmax) {
      vtx=memcpy((void *)vtx,(void *)backupvtx[0],sizeof(ts_vertex));
      free(backupvtx[0]);
      free(backupvtx);
//   fprintf(stderr,"Fail 1, dist=%f, vesicle->dmax=%f\n", dist, vesicle->dmax);
      vtx=memcpy((void *)vtx,(void *)&backupvtx[0],sizeof(ts_vertex));
      return TS_FAIL;
      }
    }
    //self avoidance check with distant vertices
     cellidx=vertex_self_avoidance(vesicle, vtx);
    //check occupation number
     retval=cell_occupation_number_and_internal_proximity(vesicle->clist,cellidx,backupvtx[0],vtx);
     retval=cell_occupation_number_and_internal_proximity(vesicle->clist,cellidx,vtx);
	
    if(retval==TS_FAIL){
      vtx=memcpy((void *)vtx,(void *)backupvtx[0],sizeof(ts_vertex));
      free(backupvtx[0]);
      free(backupvtx);
//   fprintf(stderr,"Fail 2\n");
      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++){
   backupvtx[i+1]=(ts_vertex *)malloc(sizeof(ts_vertex));	
   backupvtx[i+1]=memcpy((void *)backupvtx[i+1],(void *)vtx->neigh[i],sizeof(ts_vertex));
   for(i=0;i<vtx->neigh->n;i++){
   memcpy((void *)&backupvtx[i+1],(void *)vtx->neigh->vtx[i],sizeof(ts_vertex));
   }



    delta_energy=0;
    //update the normals of triangles that share bead i.
    for(i=0;i<vtx->tristar_no;i++) triangle_normal_vector(vtx->tristar[i]);
    //energy and curvature
   oenergy=vtx->energy;
    energy_vertex(vtx);
    delta_energy=vtx->xk*(vtx->energy - backupvtx[0]->energy);
    delta_energy=vtx->xk*(vtx->energy - oenergy);
    //the same is done for neighbouring vertices
    for(i=0;i<vtx->neigh_no;i++){
        oenergy=vtx->neigh[i]->energy;
        energy_vertex(vtx->neigh[i]);
        delta_energy+=vtx->neigh[i]->xk*(vtx->neigh[i]->energy-oenergy);
    for(i=0;i<vtx->neigh->n;i++){
        oenergy=vtx->neigh->vtx[i]->energy;
        energy_vertex(vtx->neigh->vtx[i]);
        delta_energy+=vtx->neigh->vtx[i]->xk*(vtx->neigh->vtx[i]->energy-oenergy);
    }
//   fprintf(stderr, "DE=%f\n",delta_energy);
    //MONTE CARLOOOOOOOO
@@ -84,31 +102,27 @@
#endif
    {
    //not accepted, reverting changes
   vtx=memcpy((void *)vtx,(void *)backupvtx[0],sizeof(ts_vertex));
   free(backupvtx[0]);
   for(i=0;i<vtx->neigh_no;i++){
   vtx->neigh[i]=memcpy((void *)vtx->neigh[i],(void *)backupvtx[i+1],sizeof(ts_vertex));
   free(backupvtx[i+1]);
   vtx=memcpy((void *)vtx,(void *)&backupvtx[0],sizeof(ts_vertex));
   for(i=0;i<vtx->neigh->n;i++){
      vtx->neigh->vtx[i]=memcpy((void *)vtx->neigh->vtx[i],(void *)&backupvtx[i+1],sizeof(ts_vertex));
   }
   free(backupvtx);
//   fprintf(stderr,"Reverted\n");
   
    //update the normals of triangles that share bead i.
    for(i=0;i<vtx->tristar_no;i++) triangle_normal_vector(vtx->tristar[i]);
   for(i=0;i<vtx->tristar_no;i++) triangle_normal_vector(vtx->tristar[i]);

    return TS_FAIL; 
    }
}
    //END MONTE CARLOOOOOOO

    //TODO: change cell occupation if necessary!
//   fprintf(stderr,"Success!!\n");
   free(backupvtx[0]);
   for(i=0;i<vtx->neigh_no;i++){
   free(backupvtx[i+1]);
		
//   oldcellidx=vertex_self_avoidance(vesicle, &backupvtx[0]);
   if(vtx->cell!=vesicle->clist->cell[cellidx]){
      retval=cell_add_vertex(vesicle->clist->cell[cellidx],vtx);
//      if(retval==TS_SUCCESS) cell_remove_vertex(vesicle->clist->cell[oldcellidx],vtx);
      if(retval==TS_SUCCESS) cell_remove_vertex(backupvtx[0].cell,vtx);
		
   }
   free(backupvtx);
//   fprintf(stderr,"Accepted\n");
//   if(oldcellidx);
    //END MONTE CARLOOOOOOO
    return TS_SUCCESS;
}