From 3006183b769f2e126b1a96e6bf697c2b7f657df7 Mon Sep 17 00:00:00 2001
From: Samo Penic <samo.penic@gmail.com>
Date: Sun, 26 Apr 2020 17:35:26 +0000
Subject: [PATCH] Code for incremental adding of inclusions done
---
src/poly.c | 33 ++++++++++++++++++++++++++-------
1 files changed, 26 insertions(+), 7 deletions(-)
diff --git a/src/poly.c b/src/poly.c
index 39d0723..cf416b5 100644
--- a/src/poly.c
+++ b/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;
+}
--
Gitblit v1.9.3