From 60c2b879f26c5f008af0df7d7f159d33077225ac Mon Sep 17 00:00:00 2001
From: Samo Penic <samo.penic@gmail.com>
Date: Sat, 09 Mar 2019 19:47:16 +0000
Subject: [PATCH] Cleanup of stretching energy plugin
---
src/poly.c | 19 +++++++++++++------
1 files changed, 13 insertions(+), 6 deletions(-)
diff --git a/src/poly.c b/src/poly.c
index 39d0723..bcf01e5 100644
--- a/src/poly.c
+++ b/src/poly.c
@@ -135,7 +135,7 @@
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]);
}
@@ -161,9 +161,9 @@
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);
--
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