From 8108947140ecfc116f4e1c9090499c1b4ad4c3b7 Mon Sep 17 00:00:00 2001
From: Miha <miha.fosnaric@fe.uni-lj.si>
Date: Fri, 15 Jul 2016 10:18:21 +0000
Subject: [PATCH] Mean curvature averaged over vesicle area added.
---
src/vesicle.h | 1 +
src/vesicle.c | 12 ++++++++++++
src/tspoststat.c | 7 ++++---
3 files changed, 17 insertions(+), 3 deletions(-)
diff --git a/src/tspoststat.c b/src/tspoststat.c
index 6a4b8fb..f518000 100644
--- a/src/tspoststat.c
+++ b/src/tspoststat.c
@@ -105,11 +105,11 @@
ts_uint tstep,n;
ts_char *number;
struct dirent **list;
- ts_double l1,l2,l3;
+ ts_double l1,l2,l3,hbar;
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 Nbw/Nb\n");
+ fprintf(stdout, "OuterLoop Volume Area lamdba1 lambda2 lambda3 Nbw/Nb hbar\n");
count=scandir(".",&list,0,alphasort);
@@ -136,7 +136,8 @@
vesicle_volume(vesicle);
vesicle_area(vesicle);
gyration_eigen(vesicle,&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),
+ hbar=vesicle_meancurvature(vesicle)/vesicle->area;
+ fprintf(stdout,"%d %.17e %.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,hbar);
tstep++;
write_histogram_data(atoi(number), vesicle);
free(number);
diff --git a/src/vesicle.c b/src/vesicle.c
index bc69e62..fe4c4b1 100644
--- a/src/vesicle.c
+++ b/src/vesicle.c
@@ -79,3 +79,15 @@
vesicle->area=area;
return TS_SUCCESS;
}
+
+ts_double vesicle_meancurvature(ts_vesicle *vesicle){
+// Integrates (H dA) over vesicle area A, where H=(C1+C2)/2.
+// (To be devided by A outside of function)
+ ts_double mc;
+ ts_uint i;
+ mc=0;
+ for(i=0;i<vesicle->vlist->n;i++){
+ mc=mc+vesicle->vlist->vtx[i]->curvature;
+ }
+ return mc/2.0;
+}
diff --git a/src/vesicle.h b/src/vesicle.h
index e8f09fb..953e0a2 100644
--- a/src/vesicle.h
+++ b/src/vesicle.h
@@ -7,4 +7,5 @@
ts_bool vesicle_free(ts_vesicle *vesicle);
ts_bool vesicle_volume(ts_vesicle *vesicle);
ts_bool vesicle_area(ts_vesicle *vesicle);
+ts_double vesicle_meancurvature(ts_vesicle *vesicle);
#endif
--
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