Merge branch 'nirgov' into HEAD

Samo Penic

2016-12-06 0634b97e436e480b203a22e1113c473d3ae4d281

 src/tspoststat.c

New file
@@ -0,0 +1,156 @@
/* vim: set ts=4 sts=4 sw=4 noet : */
#include<stdio.h>
#include<math.h>
#include<stdlib.h>
#include "general.h"
//#include "vertex.h"
//#include "bond.h"
//#include "triangle.h"
//#include "cell.h"
#include "vesicle.h"
#include "io.h"
//#include "initial_distribution.h"
//#include "frame.h"
//#include "timestep.h"
//#include "poly.h"
#include "stats.h"
#include "sh.h"
#include "shcomplex.h"
#include "dumpstate.h"
#include "restore.h"
#include "cluster.h"
#include <string.h>
#include <getopt.h>
#include <sys/stat.h>
#include <sys/types.h>
#include <dirent.h>
#include <errno.h>
#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);
   return vesicle;
}

void vesicle_calculate_ulm2(ts_vesicle *vesicle){
   //complex_sph_free(vesicle->sphHarmonics);

   //vesicle->sphHarmonics=complex_sph_init(vesicle->vlist,21);
   vesicle_volume(vesicle);
   preparationSh(vesicle,getR0(vesicle));
   calculateUlmComplex(vesicle);
   ts_int i,j;
   for(i=0;i<vesicle->sphHarmonics->l;i++){
          for(j=i;j<2*i+1;j++){
         printf("%e ", gsl_complex_abs2(vesicle->sphHarmonics->ulmComplex[i][j]));
          }
   }
      printf("\n");

}



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,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 hbar\n");


   count=scandir(".",&list,0,alphasort);
   if(count<0){
      fatal("Error, cannot open directory.",1);
   }
        tstep=0;
   for(n=0;n<count;n++){
      struct dirent *ent;
      ent=list[n];	
               i=rindex(ent->d_name,'.');
               if(i==NULL) {
            continue;
      }
               if(strcmp(i+1,"vtu")==0){
                    j=rindex(ent->d_name,'_');
                    if(j==NULL) continue;
                    number=strndup(j+1,j-i); 
         quiet=1;
                    ts_fprintf(stdout,"timestep: %u filename: %s\n",atoi(number),ent->d_name);
//         printf("%u ",atoi(number));
         vesicle=restoreVesicle(ent->d_name);
//         vesicle_calculate_ulm2(vesicle);
         vesicle_volume(vesicle);
         vesicle_area(vesicle);
         gyration_eigen(vesicle,&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);
               }
      }
   for (n = 0; n < count; n++)
     {
        free(list[n]);
     }
	
   free(list);
   return 0;
}