moldyn/stat_new/summary_stat.c

/* Library for summary statistic
 * Usage:
 *            summary_statistic (filename, number_of_step, number_of_molecules, 
 *                                        type_of_aglomerate, summary_statistic)
 */

#include <stdio.h>
#include <stdlib.h>


int summary_statistic (char *filename, int step, int num_mol, const int *type_agl, const int *stat_all)
/* filename         - name of output file
 * step             - number of steps
 * num_mol          - number of molecules
 * type_agl         - massive of numbers of aglomerate types
 * stat_all         - massive of summary statistics
 */
{
  float conc, p, pn, type[2], x, y;
  int i, index;
  FILE *f_out;
/* conc             - concentrate of aglomerates
 * p                - probability of aglomerates
 * pn               - weight probability of aglomerates
 * f_out            - output file
 */
  
  index = 0;
  for (i=0; i<num_mol; i++)
    if (stat_all[i] != 0)
      index = i;
  
//   head
  f_out = fopen (filename, "a");
  fprintf (f_out, "SUMMARY STATISTIC:\n");
  fprintf (f_out, "|   n   |   N   |    C    |    p    |    pn    |\n------------------------------------------------\n");
  
  for (i=0; i<index+1; i++)
  {
//     calculating concentrates
    x = stat_all[i];
    y = step;
    conc = x / y;
    
//     calculating probabilityes
    x = (i + 1) * stat_all[i];
    y = step * num_mol;
    p = x / y;
    pn = (i + 1) * p;
    
    fprintf (f_out, " %7i %7i %9.2f %9.5f %10.5f\n", i+1, stat_all[i], conc, p, pn);
  }
  
//   types of aglomerates
  x = type_agl[0] + type_agl[1];
  type[0] = type_agl[0];
  type[1] = type_agl[1];
  fprintf (f_out, "------------------------------------------------\n");
  fprintf (f_out, "LINEAR=%.5f\nCYCLE=%.5f\n", type[0]/x, type[1]/x);
  
  fclose (f_out);
  
  return 0;
}