Added additional functions to ease Ulm2 poststating

Samo Penic

2019-08-14 aede7e0121a037fd7226a8bfd558eb21a932fa5a

 src/poly.c

@@ -126,7 +126,6 @@
                     m++;
                     if(m>1000) {
                        k=9999; //break also ot of the outer loop
                        printf("was here\n");
                        break;
                     }
                  }
@@ -135,7 +134,7 @@
               k++;
               if(k>1000){
                  //undo changes to the cell
                  for(l=0;l<j-1;l++){
                  for(l=0;l<j;l++){
                     cellidx=vertex_self_avoidance(vesicle, poly_list->poly[i]->vlist->vtx[l]);
                     cell_remove_vertex(vesicle->clist->cell[cellidx],poly_list->poly[i]->vlist->vtx[l]);
                  }
@@ -159,11 +158,12 @@
   ts_uint gvtxi;
   ts_bool retval;
   ts_double dphi,dh;

   cell_occupation(vesicle); //needed for evading the membrane
   // Grafting polymers:
   int tries=0;
   if (vlist!=NULL){
      if (n_poly > vlist->n){fatal("Number of polymers larger than numbero f vertices on a vesicle.",310);}
	
      while(i<n_poly){
         gvtxi = rand() % vlist->n;
         if (vlist->vtx[gvtxi]->grafted_poly == NULL){
@@ -171,9 +171,15 @@
            retval=poly_initial_distribution(poly_list, i, vesicle);
            if(retval==TS_FAIL){
               ts_fprintf(stdout,"Found new potential grafting vertex %d for poly %d\n",gvtxi,i);
               poly_free(poly_list->poly[i]);
               tries++;
            }
            else {
               tries=0;
               i++;
            }
            if(tries>5000){
               fatal("Cannot find space for inner polymeres",1001);
            }
         }
      }
@@ -236,9 +242,9 @@

ts_bool poly_free(ts_poly *poly){

   if (poly->grafted_vtx!=NULL){
      poly->grafted_vtx->grafted_poly=NULL;
   }
//   if (poly->grafted_vtx!=NULL){
//      poly->grafted_vtx->grafted_poly=NULL;
//   }
   vtx_list_free(poly->vlist);
   bond_list_free(poly->blist);
   free(poly);
@@ -248,8 +254,9 @@

ts_bool poly_list_free(ts_poly_list *poly_list){
   ts_uint i;

   //fprintf(stderr,"no. of polys=%d\n", poly_list->n);
   for(i=0;i<poly_list->n;i++){
   //   fprintf(stderr,"%d poly address in mem=%ld\n",i+1,(long)&(poly_list->poly[i]));
      poly_free(poly_list->poly[i]);
   }
   free(poly_list->poly);
@@ -296,3 +303,15 @@
   return TS_SUCCESS;
}



ts_poly_list *init_empty_poly_list(ts_uint n_poly, ts_uint n_mono){
   ts_poly_list *poly_list=(ts_poly_list *)calloc(1,sizeof(ts_poly_list));
   poly_list->poly=(ts_poly **)calloc(n_poly,sizeof(ts_poly *));
   ts_uint i;
   for (i=0; i<n_poly;i++){
      poly_list->poly[i]=init_poly(n_mono, NULL);
   }
   poly_list->n = n_poly;
   return poly_list;
}