From efb615c065452b58799e32735647b0559698163f Mon Sep 17 00:00:00 2001
From: Samo Penic <samo.penic@gmail.com>
Date: Mon, 19 Apr 2021 13:42:52 +0000
Subject: [PATCH] Changes in code after some debuggin
---
src/tspoststat.c | 59 ++++++++++++++++++++++++++++++++++++++++++++++++++++++-----
1 files changed, 54 insertions(+), 5 deletions(-)
diff --git a/src/tspoststat.c b/src/tspoststat.c
index 4a318e2..f518000 100644
--- a/src/tspoststat.c
+++ b/src/tspoststat.c
@@ -18,6 +18,7 @@
#include "shcomplex.h"
#include "dumpstate.h"
#include "restore.h"
+#include "cluster.h"
#include <string.h>
#include <getopt.h>
#include <sys/stat.h>
@@ -27,7 +28,7 @@
#include <snapshot.h>
#include<gsl/gsl_complex.h>
#include<gsl/gsl_complex_math.h>
-
+#include<stdio.h>
ts_vesicle *restoreVesicle(char *filename){
ts_vesicle *vesicle = parseDump(filename);
@@ -51,17 +52,64 @@
}
+
+
+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;
+}
+
+
+
+ts_bool write_histogram_data(ts_uint timestep_no, ts_vesicle *vesicle){
+ ts_cluster_list *cstlist=init_cluster_list();
+ clusterize_vesicle(vesicle,cstlist);
+ //printf("No clusters=%d\n",cstlist->n);
+ int k,i,cnt, test=0;
+ int max_nvtx=0;
+ char filename[255];
+ sprintf(filename,"histogram_%.6u.csv",timestep_no);
+ FILE *fd=fopen(filename,"w");
+ fprintf(fd,"Number_of_vertices_in cluster Number_of_clusters\n");
+ for(k=0;k<cstlist->n;k++)
+ if(cstlist->cluster[k]->nvtx>max_nvtx) max_nvtx=cstlist->cluster[k]->nvtx;
+ //printf("Max. number of vertices in cluster: %d\n",max_nvtx);
+ for(i=1;i<=max_nvtx;i++){
+ cnt=0;
+ for(k=0;k<cstlist->n;k++)
+ if(cstlist->cluster[k]->nvtx==i) cnt++;
+ fprintf(fd,"%d %d\n",i,cnt);
+ test+=cnt*i;
+ }
+ //for(k=0;k<cstlist->n;k++){
+// printf("*Cluster %d has %d vertices\n",k,cstlist->cluster[k]->nvtx);
+// }
+
+ fclose(fd);
+// printf("*Sum of all vertices in clusters: %d\n", test);
+// write_vertex_xml_file(vesicle,timestep_no,cstlist);
+ cluster_list_free(cstlist);
+
+ return TS_SUCCESS;
+}
+
+
int main(){
ts_vesicle *vesicle;
ts_char *i,*j;
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 Nb/Ncb\n");
+ fprintf(stdout, "OuterLoop Volume Area lamdba1 lambda2 lambda3 Nbw/Nb hbar\n");
count=scandir(".",&list,0,alphasort);
@@ -88,9 +136,10 @@
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),
+ 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);
tape_free(vesicle->tape);
vesicle_free(vesicle);
--
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