Added documentation for statgen

statgen/src/stat_print.c

@@ -1,57 +1,69 @@
-/* Library for printing aglomerates
- * 
- * Usage:
- *                  printing_agl (input_file, output_file, number_of_molecules, 
- *          true_label_molecules, num_of_molecules_in_aglomerates, aglomerates, 
- *                                     statistic, max_depth, type_of_aglomerate)
+/**
+ * @file
  */
 
 #include <stdio.h>
 #include <stdlib.h>
 
-// #include "graph.h"
+#include "graph.h"
 
 
+/**
+ * @fn printing_agl
+ */
 int printing_agl (const char *input, const char *output, const int *connect, 
                   const int num_mol, const int *true_label_mol, const int *num_mol_agl, 
                   const int *agl, const int *stat, const int max_depth, int *type_agl)
-/* input            - name of file with coordinates
- * output           - name of output file
- * connect          - connectivity graph for all molecules
- * num_mol          - number of molecules
- * true_label_mol   - massive of true numbers of molecule for atoms
- * num_mol_agl      - massive of numbers of molecule in aglomerates
- * agl              - massive of aglomerates
- * stat             - massive of statistics
- * max_depth        - max depth for check cycles in graph analyze
- * type_agl         - massive of numbers of aglomerate types
+/**
+ * @brief function that prints aglomerates to output file
+ * @code
+ * printing_agl (input_file, output_file, number_of_molecules, 
+ *          true_label_molecules, num_of_molecules_in_aglomerates, aglomerates, 
+ *                                    statistic, max_depth, type_of_aglomerate);
+ * @endcode
+ * 
+ * @param input           input file name
+ * @param output          output file name
+ * @param connect         connectivity graph for all molecules
+ * @param num_mol         number of molecules
+ * @param true_label_mol  massive of true numbers of molecule for atoms
+ * @param num_mol_agl     massive of number of molecules in aglomerates
+ * @param agl             massive of aglomerates
+ * @param stat            massive of statistic
+ * @param max_depth       maximum depth for check cycles in graph analyze
+ * @param type_agl        massive of number of aglomerate types
+ * 
+ * @return 1              - memory error
+ * @return 0              - exit without errors
  */
 {
   int error, i, *iso, j, k, *label_matrix, *matrix;
   FILE *f_out;
-/* iso              - isomorphic graph in database
- * label_matrix     - massive of indexes of molecule
- * matrix           - connectivity graph
- * f_out            - output file
+/* iso                    isomorphic graph in database
+ * label_matrix           massive of indexes of molecule
+ * matrix                 connectivity graph
+ * f_out                  output file
  */
   
+/// <b>Work blocks</b>
+  
   iso = (int *) malloc (max_depth * sizeof (int));
   if (iso == NULL)
     return 1;
   f_out = fopen (output, "a");
   
-//   head
+/// <pre>   print header </pre>
   fprintf (f_out, "FILE=%s\nSTATISTIC\n|   n   |   N   |\n-----------------\n", input);
   for (i=0; i<num_mol; i++)
     if (stat[i] != 0)
       fprintf (f_out, " %7i %7i \n", i+1, stat[i]);
   fprintf (f_out, "-----------------\n");
   
-//   body
+/// <pre>   print body </pre>
   for (i=0; i<num_mol; i++)
     if (num_mol_agl[i] > 0)
     {
-//       creating connectivity graph
+/// <pre>      creating connectivity graph </pre>
       label_matrix = (int *) malloc (num_mol * sizeof (int));
       matrix = (int *) malloc (num_mol_agl[i] * num_mol_agl[i] * sizeof (int));
       if ((matrix == NULL) ||
@@ -71,34 +83,34 @@ int printing_agl (const char *input, const char *output, const int *connect,
             matrix[label_matrix[agl[num_mol*i+k]]*num_mol_agl[i]+label_matrix[agl[num_mol*i+j]]] = 1;
           }
 
-//       graph topology analyze
+/// <pre>      graph topology analyze </pre>
       if (max_depth > 0)
         error = graph_analyze (num_mol_agl[i], matrix, max_depth, iso);
       if (error > 0)
         return 1;
       
-//       printing class of aglomerate
+// print class of aglomerate
       fprintf (f_out, "AGL=%i=", num_mol_agl[i]);
       for (j=0; j<max_depth; j++)
       {
-//         number of tails
+// number of tails
         if (j == 0)
           if (iso[j] > 2)
-//             branched
+// branched
             type_agl[3]++;
           else
-//             not branched
+// not branched
             type_agl[2]++;
-//         number of cycles
+// number of cycles
         else if (j == 1)
           if (iso[j] > 0)
-//             cycle
+// cycle
             type_agl[1]++;
           else
-//             linear
+// linear
             type_agl[0]++;
         else if (j > 1)
-//           number of n_cycles
+// number of n_cycles
           type_agl[j+2] += iso[j];
         
         fprintf (f_out, "%i.", iso[j]);
@@ -108,20 +120,21 @@ int printing_agl (const char *input, const char *output, const int *connect,
       {
         fprintf (f_out, "%7i=", true_label_mol[agl[num_mol*i+j]]);
         for (k=0; k<num_mol_agl[i]; k++)
-        {
           if (matrix[j*num_mol_agl[i]+k] == 1)
             fprintf (f_out, "%i,", true_label_mol[agl[num_mol*i+k]]);
-        }
         fprintf (f_out, "\n");
       }
       
-//       free memory
+/// <pre>      free memory </pre>
       free (matrix);
       free (label_matrix);
     }
   
   fprintf (f_out, "---------------------------------------------------\n");
   fclose (f_out);
+  
+/// <pre>   free memory </pre>
   free (iso);
+  
   return 0;
 }