Added lib 'summary_stat.c'

stat_new/stat_print.c

@@ -2,7 +2,8 @@
  * 
  * Usage:
  *                  printing_agl (input_file, output_file, number_of_molecules, 
- * true_label_molecules, num_of_molecules_in_aglomerates, aglomerates, statistic)
+ *          true_label_molecules, num_of_molecules_in_aglomerates, aglomerates, 
+ *                                                statistic, type_of_aglomerate)
  */
 
 #include <stdio.h>
@@ -11,7 +12,7 @@
 
 int printing_agl (char *input, char *output, const int *connect, int num_mol, 
                   const int *true_label_mol, const int *num_mol_agl, 
-                  const int *agl, const int *stat)
+                  const int *agl, const int *stat, int *type_agl)
 /* input            - name of file with coordinates
  * output           - name of output file
  * connect          - connectivity graph for all molecules
@@ -20,6 +21,7 @@ int printing_agl (char *input, char *output, const int *connect, int num_mol,
  * num_mol_agl      - massive of numbers of molecule in aglomerates
  * agl              - massive of aglomerates
  * stat             - massive of statistics
+ * type_agl         - massive of numbers of aglomerate types
  */
 {
   int i, iso, j, k, p, type, *label_matrix, **matrix;
@@ -28,8 +30,12 @@ int printing_agl (char *input, char *output, const int *connect, int num_mol,
  * type             - number of cycle in aglomerates
  * label_matrix     - massive of indexes of molecule
  * matrix           - connectivity graph
+ * f_out            - output file
  */
   
+  type_agl[0] = 0;
+  type_agl[1] = 0;
+  
   f_out = fopen (output, "a");
   
 //   head
@@ -68,9 +74,15 @@ int printing_agl (char *input, char *output, const int *connect, int num_mol,
         for (k=0; k<num_mol_agl[i]; k++)
           p += matrix[i][j];
       if (p == (2*num_mol_agl[i]-2))
+      {
         type = 0;
+        type_agl[0]++;
+      }
       else
+      {
         type = (p - (2*num_mol_agl[i]-2)) / 2;
+        type_agl[1]++;
+      }
       
 //       printing class of aglomerate
       fprintf (f_out, "  %7i=%1i=%-7i\n", num_mol_agl[i], type, iso);

stat_new/summary_stat.c

@@ -0,0 +1,70 @@
+/* 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; 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 %9.5f\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=%7.5f\nCYCLE=%7.5f\n", type[0]/x, type[1]/x);
+  
+  fclose (f_out);
+  
+  return 0;
+}
+
+
+int main (int argc, char *argv[])
+{
+  return 0;
+}