Edited documentation

envir/src/main.c

@@ -1,3 +1,7 @@
+/**
+ * @file
+ */
+
 #include <math.h>
 #include <stdio.h>
 #include <stdlib.h>
@@ -11,7 +15,16 @@
 #include "set_center.h"
 
 
+/**
+ * @fn main
+ */
 int main(int argc, char *argv[])
+/**
+ * @return 1              - error in error_checking
+ * @return 2              - input file does not exist
+ * @return 3              - memory error
+ * @return 0              - exit without errors
+ */
 {
   char tmp_str[2048];
   int error, i, j, *tmp_int;
@@ -21,25 +34,26 @@ int main(int argc, char *argv[])
   float cell[3], *centr_coords, *coords, rad;
   int *label_mol, log, num_atoms, num_mol, num_needed_mol, num_of_mol, 
       *needed_mol, quiet, *true_label_mol;
-/* ch_type_atoms    - massive of char types for atoms
- * input            - input file name
- * logfile          - log file name
- * output           - output file name
+  
+/* ch_type_atoms          massive of char atom types
+ * input                  input file name
+ * logfile                log file name
+ * output                 output file name
  * 
- * cell             - cell dimension
- * centr_coords     - massive of coordinates of center molecules
- * coords           - massive of coordinates
- * rad              - criterion
+ * cell                   massive of cell size
+ * centr_coords           massive of centered coordinates
+ * coords                 massive of coordinates
+ * rad                    radius of environment sphere
  * 
- * label_mol        - massive of numbers of molecule for atoms
- * log              - status of log-mode
- * num_atoms        - number of atoms for writing coordinates
- * num_mol          - number of molecules for writing coordinates
- * num_needed_mol   - number of needed molecules
- * num_of_mol       - number of molecule for search
- * needed_mol       - massive of needed molecules
- * quiet            - status of quiet-mode
- * true_label_mol   - massive of true numbers of molecule for atoms
+ * label_mol              massive of numbers of molecule for atoms
+ * log                    status of log-mode
+ * num_atoms              number of atoms
+ * num_mol                number of molecules
+ * num_needed_mol         number of needed molecules
+ * num_of_mol             number of molecule
+ * needed_mol             massive of number of needed molecules
+ * quiet                  status of quiet-mode
+ * true_label_mol         massive of true numbers of molecule for atoms
  */
   
   set_defaults (cell, input, &log, &num_of_mol, output, &quiet, &rad);
@@ -68,44 +82,44 @@ int main(int argc, char *argv[])
       return 0;
     }
     else if ((argv[i][0] == '-') && (argv[i][1] == 'i'))
-//       input file
+// input file
     {
       strcpy (input, argv[i+1]);
       i++;
     }
     else if ((argv[i][0] == '-') && (argv[i][1] == 'c'))
-//       cell size
+// cell size
     {
       sscanf (argv[i+1], "%f,%f,%f", &cell[0], &cell[1], &cell[2]);
       i++;
     }
     else if ((argv[i][0] == '-') && (argv[i][1] == 'o'))
-//       output file
+// output file
     {
       strcpy (output, argv[i+1]);
       i++;
     }
     else if ((argv[i][0] == '-') && (argv[i][1] == 'n'))
-//       number of molecule
+// number of molecule
     {
       sscanf (argv[i+1], "%i", &num_of_mol);
       i++;
     }
     else if ((argv[i][0] == '-') && (argv[i][1] == 'r'))
-//       radius of environment
+// radius of environment
     {
       sscanf (argv[i+1], "%f", &rad);
       i++;
     }
     else if ((argv[i][0] == '-') && (argv[i][1] == 'l'))
-//       log mode
+// log mode
     {
       log = 1;
       strcpy (logfile, argv[i+1]);
       i++;
     }
     else if ((argv[i][0] == '-') && (argv[i][1] == 'q'))
-//       quiet mode
+// quiet mode
     {
       quiet = 1;
     }
@@ -127,14 +141,14 @@ int main(int argc, char *argv[])
   
   print_message (quiet, stdout, log, f_log, 2, argv[0]);
   
-//   processing
-//   initial variables
+// processing
+// initial variables
   print_message (quiet, stdout, log, f_log, 3, input);
   f_inp = fopen (input, "r");
   if (f_inp == NULL)
   {
     print_message (quiet, stderr, log, f_log, 18, input);
-    return 1;
+    return 2;
   }
   fscanf (f_inp, "%i", &num_atoms);
   fclose (f_inp);
@@ -143,7 +157,7 @@ int main(int argc, char *argv[])
   label_mol = (int *) malloc (8 * num_atoms * sizeof (int));
   tmp_int = (int *) malloc (8 * num_atoms * sizeof (int));
   true_label_mol = (int *) malloc (num_atoms * sizeof (int));
-//   error checking
+// error checking
   if ((ch_type_atoms == NULL) ||
     (coords == NULL) || 
     (label_mol == NULL) || 
@@ -151,7 +165,7 @@ int main(int argc, char *argv[])
     (true_label_mol == NULL))
   {
     print_message (quiet, stderr, log, f_log, 19, argv[0]);
-    return 17;
+    return 3;
   }
   sprintf (tmp_str, "%6cInput file: '%s';\n%6cOutput file: '%s';\n%6cLog: %i;\n\
 %6cQuiet: %i;\n%6cCell size: %.4f, %.4f, %.4f;\n%6cSelect molecule: %i;\n\
@@ -161,7 +175,7 @@ int main(int argc, char *argv[])
   
   print_message (quiet, stdout, log, f_log, 6, argv[0]);
   
-//   reading coordinates
+// reading coordinates
   print_message (quiet, stdout, log, f_log, 7, input);
   error = reading_coords (1, input, tmp_int, tmp_int, cell, &num_mol, &num_atoms, 
                           true_label_mol, label_mol, tmp_int, coords, ch_type_atoms);
@@ -173,15 +187,15 @@ int main(int argc, char *argv[])
              ' ', num_mol, ' ', num_atoms);
     print_message (quiet, stdout, log, f_log, 8, tmp_str);
   }
-//   error checking
+// error checking
   if ((centr_coords == NULL) ||
     (needed_mol == NULL))
   {
     print_message (quiet, stderr, log, f_log, 19, argv[0]);
-    return 17;
+    return 3;
   }
   
-//   analyze
+// analyze
   if (error == 0)
   {
     error = set_center (num_atoms, num_mol, label_mol, coords, centr_coords);
@@ -203,7 +217,7 @@ int main(int argc, char *argv[])
   print_message (quiet, stdout, log, f_log, 13, argv[0]);
   
   print_message (quiet, stdout, log, f_log, 15, argv[0]);
-//   free memory
+// free memory
   free (ch_type_atoms);
   free (centr_coords);
   free (coords);