Seems that the bugs are fixed. Pegs are self avoidant now

Samo Penic

2016-07-13 82a8abcddd62838bfcd06b6081042caf4d385a88

 src/initial_distribution.c

@@ -52,7 +52,9 @@
   ts_vertex *vtx;
   ts_tape *tape=vesicle->tape;
   vesicle->R_nucleus=tape->R_nucleus*tape->R_nucleus;

   vesicle->R_nucleusX=tape->R_nucleusX*tape->R_nucleusX;
   vesicle->R_nucleusY=tape->R_nucleusY*tape->R_nucleusY;
   vesicle->R_nucleusZ=tape->R_nucleusZ*tape->R_nucleusZ;
   vesicle->clist->dmin_interspecies = tape->dmin_interspecies*tape->dmin_interspecies;

   //Initialize grafted polymers (brush):
@@ -98,7 +100,7 @@
   vesicle->clist->ncmax[0]=tape->ncxmax;
   vesicle->clist->ncmax[1]=tape->ncymax;
   vesicle->clist->ncmax[2]=tape->nczmax;
   vesicle->clist->max_occupancy=8; /* hard coded max occupancy? */
   vesicle->clist->max_occupancy=16; /* hard coded max occupancy? */

   vesicle->pressure= tape->pressure;
   vesicle->pswitch=tape->pswitch;
@@ -124,15 +126,15 @@
   const ts_double c2= cos(4.0*M_PI/5.0);

   /* Calculates projection lenght of an edge bond to pentagram plane */
   const ts_double xl0=A0/(2.0*sin(M_PI/5.0));
   const ts_double xl0=DEF_A0/(2.0*sin(M_PI/5.0));
#ifdef TS_DOUBLE_DOUBLE
   const ts_double z0=sqrt(pow(A0,2)-pow(xl0,2));
   const ts_double z0=sqrt(pow(DEF_A0,2)-pow(xl0,2));
#endif
#ifdef TS_DOUBLE_FLOAT
   const ts_double z0=sqrtf(powf(A0,2)-powf(xl0,2));
   const ts_double z0=sqrtf(powf(DEF_A0,2)-powf(xl0,2));
#endif
#ifdef TS_DOUBLE_LONGDOUBLE
   const ts_double z0=sqrtl(powl(A0,2)-powl(xl0,2));
   const ts_double z0=sqrtl(powl(DEF_A0,2)-powl(xl0,2));
#endif
//   const z0=sqrt(A0*A0 -xl0*xl0); /* I could use pow function but if pow is used make a check on the float type. If float then powf, if long double use powl */

@@ -224,7 +226,7 @@
   for(i=1;i<=vlist->n;i++){
      for(j=1;j<=vlist->n;j++){
         dist2=vtx_distance_sq(vtx[i],vtx[j]);
         if( (dist2>eps) && (dist2<(A0*A0+eps))){ 
         if( (dist2>eps) && (dist2<(DEF_A0*DEF_A0+eps))){ 
   //if it is close enough, but not too much close (solves problem of comparing when i==j)
            vtx_add_neighbour(vtx[i],vtx[j]);
         }
@@ -257,7 +259,7 @@
                  dist2=vtx_distance_sq(vtx[i]->neigh[j-1],vtx[i]->neigh[jj-1]);
                  direct=vtx_direct(vtx[i],vtx[i]->neigh[j-1],vtx[i]->neigh[jj-1]);
// TODO: check if fabs can be used with all floating point types!!
                  if( (fabs(dist2-A0*A0)<=eps) && (direct>0.0) && (j!=jjj) ){
                  if( (fabs(dist2-DEF_A0*DEF_A0)<=eps) && (direct>0.0) && (j!=jjj) ){
                    vtx_add_cneighbour(blist,tvtx[k],tvtx[vtx[i]->neigh[j-1]->idx+1]);
                    jjj=jj;
                    jj=j;
@@ -323,7 +325,7 @@
            dist=vtx_distance_sq(vtx[i]->neigh[j-1],vtx[i]->neigh[jj-1]);
            direct=vtx_direct(vtx[i],vtx[i]->neigh[j-1],vtx[i]->neigh[jj-1]);            
// TODO: same as above            
            if(fabs(dist-A0*A0)<=eps && direct < 0.0 && vtx[i]->neigh[j-1]->idx+1 > i && vtx[i]->neigh[jj-1]->idx+1 >i){
            if(fabs(dist-DEF_A0*DEF_A0)<=eps && direct < 0.0 && vtx[i]->neigh[j-1]->idx+1 > i && vtx[i]->neigh[jj-1]->idx+1 >i){
               triangle_add(tlist,vtx[i],vtx[i]->neigh[j-1],vtx[i]->neigh[jj-1]);
            }   
         }