From 89434d44fc91bf6dbaf023b3f3218c892420d908 Mon Sep 17 00:00:00 2001
From: Samo Penic <samo.penic@gmail.com>
Date: Sun, 03 Jul 2016 20:00:18 +0000
Subject: [PATCH] fixed some of the issues while reconstructing wesicles. Added Nbw/Nb metrics to the tspoststat tool.
---
src/restore.c | 2 +-
src/tspoststat.c | 16 ++++++++++++++--
2 files changed, 15 insertions(+), 3 deletions(-)
diff --git a/src/restore.c b/src/restore.c
index 24f98fb..a490d53 100644
--- a/src/restore.c
+++ b/src/restore.c
@@ -85,6 +85,7 @@
init_normal_vectors(vesicle->tlist);
mean_curvature_and_energy(vesicle);
+ sweep_attraction_bond_energy(vesicle);
/* TODO: filaments */
@@ -186,7 +187,6 @@
vesicle->tape=tape;
set_vesicle_values_from_tape(vesicle);
-
return vesicle;
}
diff --git a/src/tspoststat.c b/src/tspoststat.c
index 4a318e2..5fb1380 100644
--- a/src/tspoststat.c
+++ b/src/tspoststat.c
@@ -51,6 +51,18 @@
}
+
+
+int count_bonds_with_energy(ts_bond_list *blist){
+
+ unsigned int i, cnt;
+ cnt=0;
+ for(i=0;i<blist->n;i++){
+ if(fabs(blist->bond[i]->energy)>1e-16) cnt++;
+ }
+ return cnt;
+}
+
int main(){
ts_vesicle *vesicle;
ts_char *i,*j;
@@ -61,7 +73,7 @@
int count;
ts_fprintf(stderr,"TRISURF-NG v. %s, compiled on: %s %s.\n", TS_VERSION, __DATE__, __TIME__);
- fprintf(stdout, "OuterLoop Volume Area lamdba1 lambda2 lambda3 Nb/Ncb\n");
+ fprintf(stdout, "OuterLoop Volume Area lamdba1 lambda2 lambda3 Nbw/Nb\n");
count=scandir(".",&list,0,alphasort);
@@ -88,7 +100,7 @@
vesicle_volume(vesicle);
vesicle_area(vesicle);
gyration_eigen(vesicle,&l1,&l2,&l3);
- fprintf(stdout,"%d %.17e %.17e %.17e %.17e %.17e\n",atoi(number),vesicle->volume, vesicle->area,l1,l2,l3),
+ fprintf(stdout,"%d %.17e %.17e %.17e %.17e %.17e %.17e\n",atoi(number),vesicle->volume, vesicle->area,l1,l2,l3, (ts_double)count_bonds_with_energy(vesicle->blist)/(ts_double)vesicle->blist->n),
tstep++;
free(number);
--
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