In cell.c changed comparison between vertices in a cell from idx to pointer...

mihaf

2014-04-02 555fd8b3ff5c121d9faff1000d664fc653c912bf

In cell.c changed comparison between vertices in a cell from idx to pointer (to avoid bug that two distinct vertices with same idx are not checked for proximity).

 src/cell.c

@@ -149,10 +149,15 @@
                    for(l=0;l<cell_occupation;l++){

                //carefull with this checks!
                        if(clist->cell[neigh_cidx]->vertex[l]->idx!=vtx->idx){
                        if(clist->cell[neigh_cidx]->vertex[l]!=vtx){
                    //        fprintf(stderr,"calling dist on vertex %i\n",l);
                           dist=vtx_distance_sq(clist->cell[neigh_cidx]->vertex[l],vtx);
                    //        fprintf(stderr,"dist was %f\n",dist);

//                if(vtx->idx==1)
//                fprintf(stderr,"VTX(0) ima bliznji vertex z indeksom, %d, tipa %d \n", clist->cell[neigh_cidx]->vertex[l]->idx, clist->cell[neigh_cidx]->vertex[l]->id);
//                if(vtx->idx==0 && clist->cell[neigh_cidx]->vertex[l]->idx==0)
//                            fprintf(stderr,"*** dist was %f\n",dist);
				
                            if(dist<=1.0 || (dist<=clist->dmin_interspecies && (clist->cell[neigh_cidx]->vertex[l]->id != vtx->id))) return TS_FAIL;
                        }
                    }

 src/tape

@@ -12,9 +12,9 @@

# Pressure calculations
# (pswitch=1: calc. p*dV energy contribution)
pswitch = 0
pswitch = 1
# pressure difference: p_inside - p_outside (in units kT/l_min^3):
pressure=-2.0
pressure=-1.0

####### Polymer (brush) definitions ###########
# npoly is a number of polymers attached to npoly distinct vertices on vesicle
@@ -30,7 +30,7 @@
# nfono is a number of monomers in each filament
nfono=300
# Persistence lenght of the filaments (in units l_min)
xi=100
xi=5000

####### Nucleus (inside the vesicle) ###########
# Radius of an impenetrable hard sphere inside the vesicle
@@ -44,11 +44,11 @@

####### Program Control ############
#how many MC sweeps between subsequent records of states to disk
mcsweeps=10000
mcsweeps=10
#how many initial mcsweeps*inititer MC sweeps before recording to disk?
inititer=0
#how many records do you want on the disk iteration are there in a run?
iterations=2000
iterations=20


#shut up if we are using cluster!!!

 src/vertexmove.c

@@ -310,7 +310,6 @@
    cellidx=vertex_self_avoidance(vesicle, vtx);
    //check occupation number
    retval=cell_occupation_number_and_internal_proximity(vesicle->clist,cellidx,vtx);
	
    if(retval==TS_FAIL){
        vtx=memcpy((void *)vtx,(void *)&backupvtx,sizeof(ts_vertex));
        return TS_FAIL;