From a752b502e11eababc1bae73434b9dde9380c0c59 Mon Sep 17 00:00:00 2001
From: Samo Penic <samo.penic@gmail.com>
Date: Wed, 03 Sep 2014 21:19:57 +0000
Subject: [PATCH] Added capability to decrease number of poly in tape and random polymeres are removed from the vesicle in dump aswell.
---
src/main.c | 14 ++++++++++++++
src/poly.c | 41 ++++++++++++++++++++++++++++++++++++++++-
src/tape | 2 +-
src/poly.h | 2 ++
4 files changed, 57 insertions(+), 2 deletions(-)
diff --git a/src/main.c b/src/main.c
index 00bd95f..8a3a550 100644
--- a/src/main.c
+++ b/src/main.c
@@ -73,6 +73,20 @@
ts_fprintf(stdout, "Simulation already completed. if you want to rerun it try with --force-from-tape or --reset-iteration-count\n\n");
return 0;
}
+
+ /* if requested in tape, we can have smaller number of polymeres attached to membrane than the number of polymeres in dump file */
+ if(vesicle->tape->npoly != vesicle->poly_list->n){
+
+ ts_fprintf(stdout,"(INFO) the number of polymeres attached to membrane in tape is different than a number of polymeres in dump file!\n");
+ if(vesicle->tape->npoly > vesicle->poly_list->n){
+ ts_fprintf(stdout,"(INFO) It is possible to decrease the number of polymeres on the membrane, but it is not allowed to increase its number. The maximal allowed number in tape is %d The execution of program will terminate!\n",vesicle->poly_list->n);
+ fatal("Terminating due to increase of number of polymeres",1);
+ } else {
+ remove_random_polymeres(vesicle->poly_list, vesicle->poly_list->n - vesicle->tape->npoly);
+ ts_fprintf(stdout,"(INFO)\n(INFO) The new number of polymeres from tape is %d.\n\n",vesicle->poly_list->n);
+
+ }
+ }
}
run_simulation(vesicle, tape->mcsweeps, tape->inititer, tape->iterations, start_iteration);
diff --git a/src/poly.c b/src/poly.c
index b2b13f9..6af59e9 100644
--- a/src/poly.c
+++ b/src/poly.c
@@ -61,7 +61,7 @@
// Grafting polymers:
if (vlist!=NULL){
- if (n_poly > vlist->n){fatal("Number of polymers larger then numbero f vertices on a vesicle.",310);}
+ 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;
@@ -172,3 +172,42 @@
return TS_SUCCESS;
}
+
+
+ts_poly *remove_poly_with_index(ts_poly_list *poly_list, ts_uint idx){
+ ts_uint i;
+ ts_poly *removed_poly=poly_list->poly[idx];
+
+ poly_list->n--; //decrease the total number of polymeres
+ for(i=idx;i<poly_list->n;i++){ //move the rest of the polymeres up.
+ poly_list->poly[i]=poly_list->poly[i+1];
+// poly_list->poly[idx]->idx=idx;
+ }
+
+ return removed_poly;
+}
+
+
+ts_bool remove_random_polymeres(ts_poly_list *poly_list, ts_uint number){
+
+ ts_uint i, idx;
+ ts_poly *poly;
+
+ ts_poly **new_poly_array;
+ if(number>poly_list->n) fatal("The number of polymeres to be removed from the list is greater than the number of total polymeres in the list",999);
+ for(i=number;i>0;i--){
+ idx=rand() % poly_list->n;
+ poly=remove_poly_with_index(poly_list, idx);
+ poly_free(poly);
+ }
+ printf("Addr before %ld\n", (long)poly_list->poly);
+ new_poly_array=(ts_poly **)calloc(poly_list->n,sizeof(ts_poly *));
+ for(i=0;i<poly_list->n;i++){
+ new_poly_array[i]=poly_list->poly[i];
+ }
+ free(poly_list->poly);
+ poly_list->poly=new_poly_array;
+ printf("Addr after %ld\n", (long)poly_list->poly);
+ return TS_SUCCESS;
+}
+
diff --git a/src/poly.h b/src/poly.h
index 26dd444..2b37c92 100644
--- a/src/poly.h
+++ b/src/poly.h
@@ -16,4 +16,6 @@
ts_bool poly_assign_filament_xi(ts_vesicle *vesicle, ts_tape *tape);
+ts_poly *remove_poly_with_index(ts_poly_list *poly_list, ts_uint idx);
+ts_bool remove_random_polymeres(ts_poly_list *poly_list, ts_uint number);
#endif
diff --git a/src/tape b/src/tape
index 034c8a4..b0ac65c 100644
--- a/src/tape
+++ b/src/tape
@@ -23,7 +23,7 @@
####### Polymer (brush) definitions ###########
# npoly is a number of polymers attached to npoly distinct vertices on vesicle
-npoly=0
+npoly=500
# nmono is a number of monomers in each polymer
nmono=10
# Spring constant between monomers of the polymer
--
Gitblit v1.9.3