fixed trj2pdb and trj

mathmech/trj/src/add_main.c

@@ -4,6 +4,7 @@
 
 #include <stdio.h>
 
+#include "add_main.h"
 #include <mathmech/messages.h>
 
 
@@ -12,25 +13,6 @@
  */
 int error_checking (const char *input, const char *input_at, const char *output, 
                     const int step, const int type)
-/**
- * @brief function that checks errors in input variables
- * @code
- * error_checking (cell, from, input, num_needed_at, needed_at, output, to);
- * @endcode
- * 
- * @param input           input file name
- * @param input_at        input file name with atom types
- * @param output          output file name
- * @param step            number of trajectory steps
- * @param type            type of trajectory
- * 
- * @return 11             - error in 'input_at'
- * @return 12             - error in 'input'
- * @return 13             - error in 'output'
- * @return 14             - error in 'step'
- * @return 15             - error in 'type'
- * @return 0              - exit without errors
- */
 {
   if (input_at[0] == '#')
     return 11;
@@ -52,21 +34,6 @@ int error_checking (const char *input, const char *input_at, const char *output,
  */
 int print_message (const int quiet, FILE *std_output, const int log, FILE *f_log, 
                    const int mode, const char *str)
-/**
- * @brief function that prints message in log and stdout
- * @code
- * print_message (quiet, stdout, log, f_log, 0, str);
- * @endcode
- * 
- * @param quiet           status of quiet-mode
- * @param std_output      stdout
- * @param log             status of log-mode
- * @param f_log           log file
- * @param mode            number of message in "messages.c"
- * @param str             additional text in message
- * 
- * @return 0              - exit without errors
- */
 {
   if ((quiet != 1) && (std_output != stderr))
     message (0, mode, str, std_output);
@@ -82,23 +49,6 @@ int print_message (const int quiet, FILE *std_output, const int log, FILE *f_log
  */
 int set_defaults (char *input, char *input_at, int *log, char *output, int *step, 
                   int *total_types, int *type, int *quiet)
-/**
- * @brief function that sets default values of variables
- * @code
- * set_defaults (input, input_at, &log, output, &step, &type, &quiet);
- * @endcode
- * 
- * @param input           input file name
- * @param input_at        input file name with atom types
- * @param log             status of log-mode
- * @param output          output file name
- * @param step            number of trajectory steps
- * @param total_types     number of different atom types
- * @param type            type of trajectory
- * @param quiet           status of quiet-mode
- * 
- * @return 0              - exit without errors
- */
 {
   input[0] = '#';
   input_at[0] = '#';

mathmech/trj/src/add_main.h

@@ -5,18 +5,77 @@
 #ifndef ADD_MAIN_H
 #define ADD_MAIN_H
 
+
 /**
  * @fn error_checking
  */
+int error_checking (const char *input, const char *input_at, const char *output, 
+                    const int step, const int type);
+/**
+ * @brief function that checks errors in input variables
+ * @code
+ * error_checking (input, input_at, output, step, type);
+ * @endcode
+ * 
+ * @param input           input file name
+ * @param input_at        input file name with atom types
+ * @param output          output file name
+ * @param step            number of trajectory steps
+ * @param type            type of trajectory
+ * 
+ * @return 11             - error in 'input_at'
+ * @return 12             - error in 'input'
+ * @return 13             - error in 'output'
+ * @return 14             - error in 'step'
+ * @return 15             - error in 'type'
+ * @return 0              - exit without errors
+ */
+
+
 /**
  * @fn print_message
  */
+int print_message (const int quiet, FILE *std_output, const int log, FILE *f_log, 
+                   const int mode, const char *str);
+/**
+ * @brief function that prints message in log and stdout
+ * @code
+ * print_message (quiet, stdout, log, f_log, 0, str);
+ * @endcode
+ * 
+ * @param quiet           status of quiet-mode
+ * @param std_output      stdout
+ * @param log             status of log-mode
+ * @param f_log           log file
+ * @param mode            number of message in "messages.c"
+ * @param str             additional text in message
+ * 
+ * @return 0              - exit without errors
+ */
+
+
 /**
  * @fn set_defaults
  */
+int set_defaults (char *input, char *input_at, int *log, char *output, int *step, 
+                  int *total_types, int *type, int *quiet);
+/**
+ * @brief function that sets default values of variables
+ * @code
+ * set_defaults (input, input_at, &log, output, &step, &total_types, &type, &quiet);
+ * @endcode
+ * 
+ * @param input           input file name
+ * @param input_at        input file name with atom types
+ * @param log             status of log-mode
+ * @param output          output file name
+ * @param step            number of trajectory steps
+ * @param total_types     number of different atom types
+ * @param type            type of trajectory
+ * @param quiet           status of quiet-mode
+ * 
+ * @return 0              - exit without errors
+ */
 
-int error_checking (const char *, const char *, const char *, const int, const int);
-int print_message (const int, FILE *, const int, FILE *, const int, const char *);
-int set_defaults (char *, char *, int *, char *, int *, int *, int *, int *);
 
-#endif /* ADD_MAIN_H */
+#endif /* ADD_MAIN_H */