applications/dynamicProps/DynamicPropsCmd.c

/*
  File autogenerated by gengetopt version 2.16
  generated with the following command:
  gengetopt -F DynamicPropsCmd 

  The developers of gengetopt consider the fixed text that goes in all
  gengetopt output files to be in the public domain:
  we make no copyright claims on it.
*/

/* If we use autoconf.  */
#ifdef HAVE_CONFIG_H
#include "config.h"
#endif

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

#include "getopt.h"

#include "DynamicPropsCmd.h"

static
void clear_given (struct gengetopt_args_info *args_info);
static
void clear_args (struct gengetopt_args_info *args_info);

static int
cmdline_parser_internal (int argc, char * const *argv, struct gengetopt_args_info *args_info, int override, int initialize, int check_required, const char *additional_error);

static int
cmdline_parser_required2 (struct gengetopt_args_info *args_info, const char *prog_name, const char *additional_error);

static char *
gengetopt_strdup (const char *s);

static
void clear_given (struct gengetopt_args_info *args_info)
{
  args_info->help_given = 0 ;
  args_info->version_given = 0 ;
  args_info->input_given = 0 ;
  args_info->output_given = 0 ;
  args_info->sele1_given = 0 ;
  args_info->sele2_given = 0 ;
  args_info->order_given = 0 ;
  args_info->rcorr_given = 0 ;
  args_info->vcorr_given = 0 ;
  args_info->dcorr_given = 0 ;
  args_info->lcorr_given = 0 ;
  args_info->r_rcorr_given = 0 ;
  args_info->thetacorr_given = 0 ;
  args_info->actioncorr_given = 0 ;
  args_info->drcorr_given = 0 ;
  args_info->dynamicProps_group_counter = 0 ;
}

static
void clear_args (struct gengetopt_args_info *args_info)
{
  args_info->input_arg = NULL;
  args_info->input_orig = NULL;
  args_info->output_arg = NULL;
  args_info->output_orig = NULL;
  args_info->sele1_arg = NULL;
  args_info->sele1_orig = NULL;
  args_info->sele2_arg = NULL;
  args_info->sele2_orig = NULL;
  args_info->order_orig = NULL;
  
}

void
cmdline_parser_print_version (void)
{
  printf ("%s %s\n", CMDLINE_PARSER_PACKAGE, CMDLINE_PARSER_VERSION);
}

void
cmdline_parser_print_help (void)
{
  cmdline_parser_print_version ();
  printf("\nUsage: DynamicProps [OPTIONS]...\n\n");
  printf("%s\n","  -h, --help                    Print help and exit");
  printf("%s\n","  -V, --version                 Print version and exit");
  printf("%s\n","  -i, --input=filename          input dump file");
  printf("%s\n","  -o, --output=filename         output file name");
  printf("%s\n","      --sele1=selection script  select first stuntdouble set");
  printf("%s\n","      --sele2=selection script  select second stuntdouble set (if sele2 is not \n                                  set, use script from sele1)");
  printf("%s\n","      --order=INT               Lengendre Polynomial Order");
  printf("%s\n","\n Group: dynamicProps\n   an option of this group is required");
  printf("%s\n","  -r, --rcorr                   rmsd");
  printf("%s\n","  -v, --vcorr                   velocity correlation function");
  printf("%s\n","  -d, --dcorr                   dipole correlation function");
  printf("%s\n","  -l, --lcorr                   Lengendre correlation function");
  printf("%s\n","      --r_rcorr                 Radial rmsd");
  printf("%s\n","      --thetacorr               Angular rmsd");
  printf("%s\n","      --actioncorr              Action correlation function");
  printf("%s\n","      --drcorr                  Directional rmsd for particles with unit \n                                  vectors");
  
}

void
cmdline_parser_init (struct gengetopt_args_info *args_info)
{
  clear_given (args_info);
  clear_args (args_info);
}

static void
cmdline_parser_release (struct gengetopt_args_info *args_info)
{
  
  if (args_info->input_arg)
    {
      free (args_info->input_arg); /* free previous argument */
      args_info->input_arg = 0;
    }
  if (args_info->input_orig)
    {
      free (args_info->input_orig); /* free previous argument */
      args_info->input_orig = 0;
    }
  if (args_info->output_arg)
    {
      free (args_info->output_arg); /* free previous argument */
      args_info->output_arg = 0;
    }
  if (args_info->output_orig)
    {
      free (args_info->output_orig); /* free previous argument */
      args_info->output_orig = 0;
    }
  if (args_info->sele1_arg)
    {
      free (args_info->sele1_arg); /* free previous argument */
      args_info->sele1_arg = 0;
    }
  if (args_info->sele1_orig)
    {
      free (args_info->sele1_orig); /* free previous argument */
      args_info->sele1_orig = 0;
    }
  if (args_info->sele2_arg)
    {
      free (args_info->sele2_arg); /* free previous argument */
      args_info->sele2_arg = 0;
    }
  if (args_info->sele2_orig)
    {
      free (args_info->sele2_orig); /* free previous argument */
      args_info->sele2_orig = 0;
    }
  if (args_info->order_orig)
    {
      free (args_info->order_orig); /* free previous argument */
      args_info->order_orig = 0;
    }
  
  clear_given (args_info);
}

int
cmdline_parser_file_save(const char *filename, struct gengetopt_args_info *args_info)
{
  FILE *outfile;
  int i = 0;

  outfile = fopen(filename, "w");

  if (!outfile)
    {
      fprintf (stderr, "%s: cannot open file for writing: %s\n", CMDLINE_PARSER_PACKAGE, filename);
      return EXIT_FAILURE;
    }

  if (args_info->help_given) {
    fprintf(outfile, "%s\n", "help");
  }
  if (args_info->version_given) {
    fprintf(outfile, "%s\n", "version");
  }
  if (args_info->input_given) {
    if (args_info->input_orig) {
      fprintf(outfile, "%s=\"%s\"\n", "input", args_info->input_orig);
    } else {
      fprintf(outfile, "%s\n", "input");
    }
  }
  if (args_info->output_given) {
    if (args_info->output_orig) {
      fprintf(outfile, "%s=\"%s\"\n", "output", args_info->output_orig);
    } else {
      fprintf(outfile, "%s\n", "output");
    }
  }
  if (args_info->sele1_given) {
    if (args_info->sele1_orig) {
      fprintf(outfile, "%s=\"%s\"\n", "sele1", args_info->sele1_orig);
    } else {
      fprintf(outfile, "%s\n", "sele1");
    }
  }
  if (args_info->sele2_given) {
    if (args_info->sele2_orig) {
      fprintf(outfile, "%s=\"%s\"\n", "sele2", args_info->sele2_orig);
    } else {
      fprintf(outfile, "%s\n", "sele2");
    }
  }
  if (args_info->order_given) {
    if (args_info->order_orig) {
      fprintf(outfile, "%s=\"%s\"\n", "order", args_info->order_orig);
    } else {
      fprintf(outfile, "%s\n", "order");
    }
  }
  if (args_info->rcorr_given) {
    fprintf(outfile, "%s\n", "rcorr");
  }
  if (args_info->vcorr_given) {
    fprintf(outfile, "%s\n", "vcorr");
  }
  if (args_info->dcorr_given) {
    fprintf(outfile, "%s\n", "dcorr");
  }
  if (args_info->lcorr_given) {
    fprintf(outfile, "%s\n", "lcorr");
  }
  if (args_info->r_rcorr_given) {
    fprintf(outfile, "%s\n", "r_rcorr");
  }
  if (args_info->thetacorr_given) {
    fprintf(outfile, "%s\n", "thetacorr");
  }
  if (args_info->actioncorr_given) {
    fprintf(outfile, "%s\n", "actioncorr");
  }
  if (args_info->drcorr_given) {
    fprintf(outfile, "%s\n", "drcorr");
  }
  
  fclose (outfile);

  i = EXIT_SUCCESS;
  return i;
}

void
cmdline_parser_free (struct gengetopt_args_info *args_info)
{
  cmdline_parser_release (args_info);
}


/* gengetopt_strdup() */
/* strdup.c replacement of strdup, which is not standard */
char *
gengetopt_strdup (const char *s)
{
  char *result = NULL;
  if (!s)
    return result;

  result = (char*)malloc(strlen(s) + 1);
  if (result == (char*)0)
    return (char*)0;
  strcpy(result, s);
  return result;
}

static void
reset_group_dynamicProps(struct gengetopt_args_info *args_info);

static void
reset_group_dynamicProps(struct gengetopt_args_info *args_info)
{
  if (! args_info->dynamicProps_group_counter)
    return;
  
  args_info->rcorr_given = 0 ;
  args_info->vcorr_given = 0 ;
  args_info->dcorr_given = 0 ;
  args_info->lcorr_given = 0 ;
  args_info->r_rcorr_given = 0 ;
  args_info->thetacorr_given = 0 ;
  args_info->actioncorr_given = 0 ;
  args_info->drcorr_given = 0 ;

  args_info->dynamicProps_group_counter = 0;
}

int
cmdline_parser (int argc, char * const *argv, struct gengetopt_args_info *args_info)
{
  return cmdline_parser2 (argc, argv, args_info, 0, 1, 1);
}

int
cmdline_parser2 (int argc, char * const *argv, struct gengetopt_args_info *args_info, int override, int initialize, int check_required)
{
  int result;

  result = cmdline_parser_internal (argc, argv, args_info, override, initialize, check_required, NULL);

  if (result == EXIT_FAILURE)
    {
      cmdline_parser_free (args_info);
      exit (EXIT_FAILURE);
    }
  
  return result;
}

int
cmdline_parser_required (struct gengetopt_args_info *args_info, const char *prog_name)
{
  int result = EXIT_SUCCESS;

  if (cmdline_parser_required2(args_info, prog_name, NULL) > 0)
    result = EXIT_FAILURE;

  if (result == EXIT_FAILURE)
    {
      cmdline_parser_free (args_info);
      exit (EXIT_FAILURE);
    }
  
  return result;
}

int
cmdline_parser_required2 (struct gengetopt_args_info *args_info, const char *prog_name, const char *additional_error)
{
  int error = 0;

  if (! args_info->input_given)
    {
      fprintf (stderr, "%s: '--input' ('-i') option required%s\n", prog_name, (additional_error ? additional_error : ""));
      error = 1;
    }
  if (args_info->dynamicProps_group_counter == 0)
    {
      fprintf (stderr, "%s: %d options of group dynamicProps were given. One is required.%s\n", prog_name, args_info->dynamicProps_group_counter, (additional_error ? additional_error : ""));
      error = 1;
    }
  

  return error;
}

int
cmdline_parser_internal (int argc, char * const *argv, struct gengetopt_args_info *args_info, int override, int initialize, int check_required, const char *additional_error)
{
  int c;        /* Character of the parsed option.  */

  int error = 0;
  struct gengetopt_args_info local_args_info;

  if (initialize)
    cmdline_parser_init (args_info);

  cmdline_parser_init (&local_args_info);

  optarg = 0;
  optind = 0;
  opterr = 1;
  optopt = '?';

  while (1)
    {
      int option_index = 0;
      char *stop_char;

      static struct option long_options[] = {
        { "help",       0, NULL, 'h' },
        { "version",    0, NULL, 'V' },
        { "input",      1, NULL, 'i' },
        { "output",     1, NULL, 'o' },
        { "sele1",      1, NULL, 0 },
        { "sele2",      1, NULL, 0 },
        { "order",      1, NULL, 0 },
        { "rcorr",      0, NULL, 'r' },
        { "vcorr",      0, NULL, 'v' },
        { "dcorr",      0, NULL, 'd' },
        { "lcorr",      0, NULL, 'l' },
        { "r_rcorr",    0, NULL, 0 },
        { "thetacorr",  0, NULL, 0 },
        { "actioncorr", 0, NULL, 0 },
        { "drcorr",     0, NULL, 0 },
        { NULL, 0, NULL, 0 }
      };

      stop_char = 0;
      c = getopt_long (argc, argv, "hVi:o:rvdl", long_options, &option_index);

      if (c == -1) break;       /* Exit from `while (1)' loop.  */

      switch (c)
        {
        case 'h':       /* Print help and exit.  */
          cmdline_parser_print_help ();
          cmdline_parser_free (&local_args_info);
          exit (EXIT_SUCCESS);

        case 'V':       /* Print version and exit.  */
          cmdline_parser_print_version ();
          cmdline_parser_free (&local_args_info);
          exit (EXIT_SUCCESS);

        case 'i':       /* input dump file.  */
          if (local_args_info.input_given)
            {
              fprintf (stderr, "%s: `--input' (`-i') option given more than once%s\n", argv[0], (additional_error ? additional_error : ""));
              goto failure;
            }
          if (args_info->input_given && ! override)
            continue;
          local_args_info.input_given = 1;
          args_info->input_given = 1;
          if (args_info->input_arg)
            free (args_info->input_arg); /* free previous string */
          args_info->input_arg = gengetopt_strdup (optarg);
          if (args_info->input_orig)
            free (args_info->input_orig); /* free previous string */
          args_info->input_orig = gengetopt_strdup (optarg);
          break;

        case 'o':       /* output file name.  */
          if (local_args_info.output_given)
            {
              fprintf (stderr, "%s: `--output' (`-o') option given more than once%s\n", argv[0], (additional_error ? additional_error : ""));
              goto failure;
            }
          if (args_info->output_given && ! override)
            continue;
          local_args_info.output_given = 1;
          args_info->output_given = 1;
          if (args_info->output_arg)
            free (args_info->output_arg); /* free previous string */
          args_info->output_arg = gengetopt_strdup (optarg);
          if (args_info->output_orig)
            free (args_info->output_orig); /* free previous string */
          args_info->output_orig = gengetopt_strdup (optarg);
          break;

        case 'r':       /* rmsd.  */
          if (local_args_info.rcorr_given)
            {
              fprintf (stderr, "%s: `--rcorr' (`-r') option given more than once%s\n", argv[0], (additional_error ? additional_error : ""));
              goto failure;
            }
          if (args_info->rcorr_given && ! override)
            continue;
          local_args_info.rcorr_given = 1;
          args_info->rcorr_given = 1;
          if (args_info->dynamicProps_group_counter && override)
            reset_group_dynamicProps (args_info);
          args_info->dynamicProps_group_counter += 1;
          break;

        case 'v':       /* velocity correlation function.  */
          if (local_args_info.vcorr_given)
            {
              fprintf (stderr, "%s: `--vcorr' (`-v') option given more than once%s\n", argv[0], (additional_error ? additional_error : ""));
              goto failure;
            }
          if (args_info->vcorr_given && ! override)
            continue;
          local_args_info.vcorr_given = 1;
          args_info->vcorr_given = 1;
          if (args_info->dynamicProps_group_counter && override)
            reset_group_dynamicProps (args_info);
          args_info->dynamicProps_group_counter += 1;
          break;

        case 'd':       /* dipole correlation function.  */
          if (local_args_info.dcorr_given)
            {
              fprintf (stderr, "%s: `--dcorr' (`-d') option given more than once%s\n", argv[0], (additional_error ? additional_error : ""));
              goto failure;
            }
          if (args_info->dcorr_given && ! override)
            continue;
          local_args_info.dcorr_given = 1;
          args_info->dcorr_given = 1;
          if (args_info->dynamicProps_group_counter && override)
            reset_group_dynamicProps (args_info);
          args_info->dynamicProps_group_counter += 1;
          break;

        case 'l':       /* Lengendre correlation function.  */
          if (local_args_info.lcorr_given)
            {
              fprintf (stderr, "%s: `--lcorr' (`-l') option given more than once%s\n", argv[0], (additional_error ? additional_error : ""));
              goto failure;
            }
          if (args_info->lcorr_given && ! override)
            continue;
          local_args_info.lcorr_given = 1;
          args_info->lcorr_given = 1;
          if (args_info->dynamicProps_group_counter && override)
            reset_group_dynamicProps (args_info);
          args_info->dynamicProps_group_counter += 1;
          break;


        case 0: /* Long option with no short option */
          /* select first stuntdouble set.  */
          if (strcmp (long_options[option_index].name, "sele1") == 0)
          {
            if (local_args_info.sele1_given)
              {
                fprintf (stderr, "%s: `--sele1' option given more than once%s\n", argv[0], (additional_error ? additional_error : ""));
                goto failure;
              }
            if (args_info->sele1_given && ! override)
              continue;
            local_args_info.sele1_given = 1;
            args_info->sele1_given = 1;
            if (args_info->sele1_arg)
              free (args_info->sele1_arg); /* free previous string */
            args_info->sele1_arg = gengetopt_strdup (optarg);
            if (args_info->sele1_orig)
              free (args_info->sele1_orig); /* free previous string */
            args_info->sele1_orig = gengetopt_strdup (optarg);
          }
          /* select second stuntdouble set (if sele2 is not set, use script from sele1).  */
          else if (strcmp (long_options[option_index].name, "sele2") == 0)
          {
            if (local_args_info.sele2_given)
              {
                fprintf (stderr, "%s: `--sele2' option given more than once%s\n", argv[0], (additional_error ? additional_error : ""));
                goto failure;
              }
            if (args_info->sele2_given && ! override)
              continue;
            local_args_info.sele2_given = 1;
            args_info->sele2_given = 1;
            if (args_info->sele2_arg)
              free (args_info->sele2_arg); /* free previous string */
            args_info->sele2_arg = gengetopt_strdup (optarg);
            if (args_info->sele2_orig)
              free (args_info->sele2_orig); /* free previous string */
            args_info->sele2_orig = gengetopt_strdup (optarg);
          }
          /* Lengendre Polynomial Order.  */
          else if (strcmp (long_options[option_index].name, "order") == 0)
          {
            if (local_args_info.order_given)
              {
                fprintf (stderr, "%s: `--order' option given more than once%s\n", argv[0], (additional_error ? additional_error : ""));
                goto failure;
              }
            if (args_info->order_given && ! override)
              continue;
            local_args_info.order_given = 1;
            args_info->order_given = 1;
            args_info->order_arg = strtol (optarg, &stop_char, 0);
            if (!(stop_char && *stop_char == '\0')) {
              fprintf(stderr, "%s: invalid numeric value: %s\n", argv[0], optarg);
              goto failure;
            }
            if (args_info->order_orig)
              free (args_info->order_orig); /* free previous string */
            args_info->order_orig = gengetopt_strdup (optarg);
          }
          /* Radial rmsd.  */
          else if (strcmp (long_options[option_index].name, "r_rcorr") == 0)
          {
            if (local_args_info.r_rcorr_given)
              {
                fprintf (stderr, "%s: `--r_rcorr' option given more than once%s\n", argv[0], (additional_error ? additional_error : ""));
                goto failure;
              }
            if (args_info->r_rcorr_given && ! override)
              continue;
            local_args_info.r_rcorr_given = 1;
            args_info->r_rcorr_given = 1;
            if (args_info->dynamicProps_group_counter && override)
              reset_group_dynamicProps (args_info);
            args_info->dynamicProps_group_counter += 1;
            break;
          }
          /* Angular rmsd.  */
          else if (strcmp (long_options[option_index].name, "thetacorr") == 0)
          {
            if (local_args_info.thetacorr_given)
              {
                fprintf (stderr, "%s: `--thetacorr' option given more than once%s\n", argv[0], (additional_error ? additional_error : ""));
                goto failure;
              }
            if (args_info->thetacorr_given && ! override)
              continue;
            local_args_info.thetacorr_given = 1;
            args_info->thetacorr_given = 1;
            if (args_info->dynamicProps_group_counter && override)
              reset_group_dynamicProps (args_info);
            args_info->dynamicProps_group_counter += 1;
            break;
          }
          /* Action correlation function.  */
          else if (strcmp (long_options[option_index].name, "actioncorr") == 0)
          {
            if (local_args_info.actioncorr_given)
              {
                fprintf (stderr, "%s: `--actioncorr' option given more than once%s\n", argv[0], (additional_error ? additional_error : ""));
                goto failure;
              }
            if (args_info->actioncorr_given && ! override)
              continue;
            local_args_info.actioncorr_given = 1;
            args_info->actioncorr_given = 1;
            if (args_info->dynamicProps_group_counter && override)
              reset_group_dynamicProps (args_info);
            args_info->dynamicProps_group_counter += 1;
            break;
          }
          /* Directional rmsd for particles with unit vectors.  */
          else if (strcmp (long_options[option_index].name, "drcorr") == 0)
          {
            if (local_args_info.drcorr_given)
              {
                fprintf (stderr, "%s: `--drcorr' option given more than once%s\n", argv[0], (additional_error ? additional_error : ""));
                goto failure;
              }
            if (args_info->drcorr_given && ! override)
              continue;
            local_args_info.drcorr_given = 1;
            args_info->drcorr_given = 1;
            if (args_info->dynamicProps_group_counter && override)
              reset_group_dynamicProps (args_info);
            args_info->dynamicProps_group_counter += 1;
            break;
          }
          
          break;
        case '?':       /* Invalid option.  */
          /* `getopt_long' already printed an error message.  */
          goto failure;

        default:        /* bug: option not considered.  */
          fprintf (stderr, "%s: option unknown: %c%s\n", CMDLINE_PARSER_PACKAGE, c, (additional_error ? additional_error : ""));
          abort ();
        } /* switch */
    } /* while */

  if (args_info->dynamicProps_group_counter > 1)
    {
      fprintf (stderr, "%s: %d options of group dynamicProps were given. One is required.%s\n", argv[0], args_info->dynamicProps_group_counter, (additional_error ? additional_error : ""));
      error = 1;
    }
  

  if (check_required)
    {
      error += cmdline_parser_required2 (args_info, argv[0], additional_error);
    }

  cmdline_parser_release (&local_args_info);

  if ( error )
    return (EXIT_FAILURE);

  return 0;

failure:
  
  cmdline_parser_release (&local_args_info);
  return (EXIT_FAILURE);
}
Revision:	3235
Committed:	Tue Oct 2 12:05:25 2007 UTC (16 years, 9 months ago) by xsun
Content type:	text/plain
File size:	22247 byte(s)
Log Message:	Added: Action Correlation function (for viscosity), Directional RCorr (for non-spherical bodies) Modified: LCorr (for multiple axes)
#	Content
1	/*
2	File autogenerated by gengetopt version 2.16
3	generated with the following command:
4	gengetopt -F DynamicPropsCmd
5
6	The developers of gengetopt consider the fixed text that goes in all
7	gengetopt output files to be in the public domain:
8	we make no copyright claims on it.
9	*/
10
11	/* If we use autoconf. */
12	#ifdef HAVE_CONFIG_H
13	#include "config.h"
14	#endif
15
16	#include <stdio.h>
17	#include <stdlib.h>
18	#include <string.h>
19
20	#include "getopt.h"
21
22	#include "DynamicPropsCmd.h"
23
24	static
25	void clear_given (struct gengetopt_args_info *args_info);
26	static
27	void clear_args (struct gengetopt_args_info *args_info);
28
29	static int
30	cmdline_parser_internal (int argc, char * const argv, struct gengetopt_args_info args_info, int override, int initialize, int check_required, const char *additional_error);
31
32	static int
33	cmdline_parser_required2 (struct gengetopt_args_info args_info, const char prog_name, const char *additional_error);
34
35	static char *
36	gengetopt_strdup (const char *s);
37
38	static
39	void clear_given (struct gengetopt_args_info *args_info)
40	{
41	args_info->help_given = 0 ;
42	args_info->version_given = 0 ;
43	args_info->input_given = 0 ;
44	args_info->output_given = 0 ;
45	args_info->sele1_given = 0 ;
46	args_info->sele2_given = 0 ;
47	args_info->order_given = 0 ;
48	args_info->rcorr_given = 0 ;
49	args_info->vcorr_given = 0 ;
50	args_info->dcorr_given = 0 ;
51	args_info->lcorr_given = 0 ;
52	args_info->r_rcorr_given = 0 ;
53	args_info->thetacorr_given = 0 ;
54	args_info->actioncorr_given = 0 ;
55	args_info->drcorr_given = 0 ;
56	args_info->dynamicProps_group_counter = 0 ;
57	}
58
59	static
60	void clear_args (struct gengetopt_args_info *args_info)
61	{
62	args_info->input_arg = NULL;
63	args_info->input_orig = NULL;
64	args_info->output_arg = NULL;
65	args_info->output_orig = NULL;
66	args_info->sele1_arg = NULL;
67	args_info->sele1_orig = NULL;
68	args_info->sele2_arg = NULL;
69	args_info->sele2_orig = NULL;
70	args_info->order_orig = NULL;
71
72	}
73
74	void
75	cmdline_parser_print_version (void)
76	{
77	printf ("%s %s\n", CMDLINE_PARSER_PACKAGE, CMDLINE_PARSER_VERSION);
78	}
79
80	void
81	cmdline_parser_print_help (void)
82	{
83	cmdline_parser_print_version ();
84	printf("\nUsage: DynamicProps [OPTIONS]...\n\n");
85	printf("%s\n"," -h, --help Print help and exit");
86	printf("%s\n"," -V, --version Print version and exit");
87	printf("%s\n"," -i, --input=filename input dump file");
88	printf("%s\n"," -o, --output=filename output file name");
89	printf("%s\n"," --sele1=selection script select first stuntdouble set");
90	printf("%s\n"," --sele2=selection script select second stuntdouble set (if sele2 is not \n set, use script from sele1)");
91	printf("%s\n"," --order=INT Lengendre Polynomial Order");
92	printf("%s\n","\n Group: dynamicProps\n an option of this group is required");
93	printf("%s\n"," -r, --rcorr rmsd");
94	printf("%s\n"," -v, --vcorr velocity correlation function");
95	printf("%s\n"," -d, --dcorr dipole correlation function");
96	printf("%s\n"," -l, --lcorr Lengendre correlation function");
97	printf("%s\n"," --r_rcorr Radial rmsd");
98	printf("%s\n"," --thetacorr Angular rmsd");
99	printf("%s\n"," --actioncorr Action correlation function");
100	printf("%s\n"," --drcorr Directional rmsd for particles with unit \n vectors");
101
102	}
103
104	void
105	cmdline_parser_init (struct gengetopt_args_info *args_info)
106	{
107	clear_given (args_info);
108	clear_args (args_info);
109	}
110
111	static void
112	cmdline_parser_release (struct gengetopt_args_info *args_info)
113	{
114
115	if (args_info->input_arg)
116	{
117	free (args_info->input_arg); /* free previous argument */
118	args_info->input_arg = 0;
119	}
120	if (args_info->input_orig)
121	{
122	free (args_info->input_orig); /* free previous argument */
123	args_info->input_orig = 0;
124	}
125	if (args_info->output_arg)
126	{
127	free (args_info->output_arg); /* free previous argument */
128	args_info->output_arg = 0;
129	}
130	if (args_info->output_orig)
131	{
132	free (args_info->output_orig); /* free previous argument */
133	args_info->output_orig = 0;
134	}
135	if (args_info->sele1_arg)
136	{
137	free (args_info->sele1_arg); /* free previous argument */
138	args_info->sele1_arg = 0;
139	}
140	if (args_info->sele1_orig)
141	{
142	free (args_info->sele1_orig); /* free previous argument */
143	args_info->sele1_orig = 0;
144	}
145	if (args_info->sele2_arg)
146	{
147	free (args_info->sele2_arg); /* free previous argument */
148	args_info->sele2_arg = 0;
149	}
150	if (args_info->sele2_orig)
151	{
152	free (args_info->sele2_orig); /* free previous argument */
153	args_info->sele2_orig = 0;
154	}
155	if (args_info->order_orig)
156	{
157	free (args_info->order_orig); /* free previous argument */
158	args_info->order_orig = 0;
159	}
160
161	clear_given (args_info);
162	}
163
164	int
165	cmdline_parser_file_save(const char filename, struct gengetopt_args_info args_info)
166	{
167	FILE *outfile;
168	int i = 0;
169
170	outfile = fopen(filename, "w");
171
172	if (!outfile)
173	{
174	fprintf (stderr, "%s: cannot open file for writing: %s\n", CMDLINE_PARSER_PACKAGE, filename);
175	return EXIT_FAILURE;
176	}
177
178	if (args_info->help_given) {
179	fprintf(outfile, "%s\n", "help");
180	}
181	if (args_info->version_given) {
182	fprintf(outfile, "%s\n", "version");
183	}
184	if (args_info->input_given) {
185	if (args_info->input_orig) {
186	fprintf(outfile, "%s=\"%s\"\n", "input", args_info->input_orig);
187	} else {
188	fprintf(outfile, "%s\n", "input");
189	}
190	}
191	if (args_info->output_given) {
192	if (args_info->output_orig) {
193	fprintf(outfile, "%s=\"%s\"\n", "output", args_info->output_orig);
194	} else {
195	fprintf(outfile, "%s\n", "output");
196	}
197	}
198	if (args_info->sele1_given) {
199	if (args_info->sele1_orig) {
200	fprintf(outfile, "%s=\"%s\"\n", "sele1", args_info->sele1_orig);
201	} else {
202	fprintf(outfile, "%s\n", "sele1");
203	}
204	}
205	if (args_info->sele2_given) {
206	if (args_info->sele2_orig) {
207	fprintf(outfile, "%s=\"%s\"\n", "sele2", args_info->sele2_orig);
208	} else {
209	fprintf(outfile, "%s\n", "sele2");
210	}
211	}
212	if (args_info->order_given) {
213	if (args_info->order_orig) {
214	fprintf(outfile, "%s=\"%s\"\n", "order", args_info->order_orig);
215	} else {
216	fprintf(outfile, "%s\n", "order");
217	}
218	}
219	if (args_info->rcorr_given) {
220	fprintf(outfile, "%s\n", "rcorr");
221	}
222	if (args_info->vcorr_given) {
223	fprintf(outfile, "%s\n", "vcorr");
224	}
225	if (args_info->dcorr_given) {
226	fprintf(outfile, "%s\n", "dcorr");
227	}
228	if (args_info->lcorr_given) {
229	fprintf(outfile, "%s\n", "lcorr");
230	}
231	if (args_info->r_rcorr_given) {
232	fprintf(outfile, "%s\n", "r_rcorr");
233	}
234	if (args_info->thetacorr_given) {
235	fprintf(outfile, "%s\n", "thetacorr");
236	}
237	if (args_info->actioncorr_given) {
238	fprintf(outfile, "%s\n", "actioncorr");
239	}
240	if (args_info->drcorr_given) {
241	fprintf(outfile, "%s\n", "drcorr");
242	}
243
244	fclose (outfile);
245
246	i = EXIT_SUCCESS;
247	return i;
248	}
249
250	void
251	cmdline_parser_free (struct gengetopt_args_info *args_info)
252	{
253	cmdline_parser_release (args_info);
254	}
255
256
257	/* gengetopt_strdup() */
258	/* strdup.c replacement of strdup, which is not standard */
259	char *
260	gengetopt_strdup (const char *s)
261	{
262	char *result = NULL;
263	if (!s)
264	return result;
265
266	result = (char*)malloc(strlen(s) + 1);
267	if (result == (char*)0)
268	return (char*)0;
269	strcpy(result, s);
270	return result;
271	}
272
273	static void
274	reset_group_dynamicProps(struct gengetopt_args_info *args_info);
275
276	static void
277	reset_group_dynamicProps(struct gengetopt_args_info *args_info)
278	{
279	if (! args_info->dynamicProps_group_counter)
280	return;
281
282	args_info->rcorr_given = 0 ;
283	args_info->vcorr_given = 0 ;
284	args_info->dcorr_given = 0 ;
285	args_info->lcorr_given = 0 ;
286	args_info->r_rcorr_given = 0 ;
287	args_info->thetacorr_given = 0 ;
288	args_info->actioncorr_given = 0 ;
289	args_info->drcorr_given = 0 ;
290
291	args_info->dynamicProps_group_counter = 0;
292	}
293
294	int
295	cmdline_parser (int argc, char * const argv, struct gengetopt_args_info args_info)
296	{
297	return cmdline_parser2 (argc, argv, args_info, 0, 1, 1);
298	}
299
300	int
301	cmdline_parser2 (int argc, char * const argv, struct gengetopt_args_info args_info, int override, int initialize, int check_required)
302	{
303	int result;
304
305	result = cmdline_parser_internal (argc, argv, args_info, override, initialize, check_required, NULL);
306
307	if (result == EXIT_FAILURE)
308	{
309	cmdline_parser_free (args_info);
310	exit (EXIT_FAILURE);
311	}
312
313	return result;
314	}
315
316	int
317	cmdline_parser_required (struct gengetopt_args_info args_info, const char prog_name)
318	{
319	int result = EXIT_SUCCESS;
320
321	if (cmdline_parser_required2(args_info, prog_name, NULL) > 0)
322	result = EXIT_FAILURE;
323
324	if (result == EXIT_FAILURE)
325	{
326	cmdline_parser_free (args_info);
327	exit (EXIT_FAILURE);
328	}
329
330	return result;
331	}
332
333	int
334	cmdline_parser_required2 (struct gengetopt_args_info args_info, const char prog_name, const char *additional_error)
335	{
336	int error = 0;
337
338	if (! args_info->input_given)
339	{
340	fprintf (stderr, "%s: '--input' ('-i') option required%s\n", prog_name, (additional_error ? additional_error : ""));
341	error = 1;
342	}
343	if (args_info->dynamicProps_group_counter == 0)
344	{
345	fprintf (stderr, "%s: %d options of group dynamicProps were given. One is required.%s\n", prog_name, args_info->dynamicProps_group_counter, (additional_error ? additional_error : ""));
346	error = 1;
347	}
348
349
350	return error;
351	}
352
353	int
354	cmdline_parser_internal (int argc, char * const argv, struct gengetopt_args_info args_info, int override, int initialize, int check_required, const char *additional_error)
355	{
356	int c; /* Character of the parsed option. */
357
358	int error = 0;
359	struct gengetopt_args_info local_args_info;
360
361	if (initialize)
362	cmdline_parser_init (args_info);
363
364	cmdline_parser_init (&local_args_info);
365
366	optarg = 0;
367	optind = 0;
368	opterr = 1;
369	optopt = '?';
370
371	while (1)
372	{
373	int option_index = 0;
374	char *stop_char;
375
376	static struct option long_options[] = {
377	{ "help", 0, NULL, 'h' },
378	{ "version", 0, NULL, 'V' },
379	{ "input", 1, NULL, 'i' },
380	{ "output", 1, NULL, 'o' },
381	{ "sele1", 1, NULL, 0 },
382	{ "sele2", 1, NULL, 0 },
383	{ "order", 1, NULL, 0 },
384	{ "rcorr", 0, NULL, 'r' },
385	{ "vcorr", 0, NULL, 'v' },
386	{ "dcorr", 0, NULL, 'd' },
387	{ "lcorr", 0, NULL, 'l' },
388	{ "r_rcorr", 0, NULL, 0 },
389	{ "thetacorr", 0, NULL, 0 },
390	{ "actioncorr", 0, NULL, 0 },
391	{ "drcorr", 0, NULL, 0 },
392	{ NULL, 0, NULL, 0 }
393	};
394
395	stop_char = 0;
396	c = getopt_long (argc, argv, "hVi:o:rvdl", long_options, &option_index);
397
398	if (c == -1) break; /* Exit from `while (1)' loop. */
399
400	switch (c)
401	{
402	case 'h': /* Print help and exit. */
403	cmdline_parser_print_help ();
404	cmdline_parser_free (&local_args_info);
405	exit (EXIT_SUCCESS);
406
407	case 'V': /* Print version and exit. */
408	cmdline_parser_print_version ();
409	cmdline_parser_free (&local_args_info);
410	exit (EXIT_SUCCESS);
411
412	case 'i': /* input dump file. */
413	if (local_args_info.input_given)
414	{
415	fprintf (stderr, "%s: `--input' (`-i') option given more than once%s\n", argv[0], (additional_error ? additional_error : ""));
416	goto failure;
417	}
418	if (args_info->input_given && ! override)
419	continue;
420	local_args_info.input_given = 1;
421	args_info->input_given = 1;
422	if (args_info->input_arg)
423	free (args_info->input_arg); /* free previous string */
424	args_info->input_arg = gengetopt_strdup (optarg);
425	if (args_info->input_orig)
426	free (args_info->input_orig); /* free previous string */
427	args_info->input_orig = gengetopt_strdup (optarg);
428	break;
429
430	case 'o': /* output file name. */
431	if (local_args_info.output_given)
432	{
433	fprintf (stderr, "%s: `--output' (`-o') option given more than once%s\n", argv[0], (additional_error ? additional_error : ""));
434	goto failure;
435	}
436	if (args_info->output_given && ! override)
437	continue;
438	local_args_info.output_given = 1;
439	args_info->output_given = 1;
440	if (args_info->output_arg)
441	free (args_info->output_arg); /* free previous string */
442	args_info->output_arg = gengetopt_strdup (optarg);
443	if (args_info->output_orig)
444	free (args_info->output_orig); /* free previous string */
445	args_info->output_orig = gengetopt_strdup (optarg);
446	break;
447
448	case 'r': /* rmsd. */
449	if (local_args_info.rcorr_given)
450	{
451	fprintf (stderr, "%s: `--rcorr' (`-r') option given more than once%s\n", argv[0], (additional_error ? additional_error : ""));
452	goto failure;
453	}
454	if (args_info->rcorr_given && ! override)
455	continue;
456	local_args_info.rcorr_given = 1;
457	args_info->rcorr_given = 1;
458	if (args_info->dynamicProps_group_counter && override)
459	reset_group_dynamicProps (args_info);
460	args_info->dynamicProps_group_counter += 1;
461	break;
462
463	case 'v': /* velocity correlation function. */
464	if (local_args_info.vcorr_given)
465	{
466	fprintf (stderr, "%s: `--vcorr' (`-v') option given more than once%s\n", argv[0], (additional_error ? additional_error : ""));
467	goto failure;
468	}
469	if (args_info->vcorr_given && ! override)
470	continue;
471	local_args_info.vcorr_given = 1;
472	args_info->vcorr_given = 1;
473	if (args_info->dynamicProps_group_counter && override)
474	reset_group_dynamicProps (args_info);
475	args_info->dynamicProps_group_counter += 1;
476	break;
477
478	case 'd': /* dipole correlation function. */
479	if (local_args_info.dcorr_given)
480	{
481	fprintf (stderr, "%s: `--dcorr' (`-d') option given more than once%s\n", argv[0], (additional_error ? additional_error : ""));
482	goto failure;
483	}
484	if (args_info->dcorr_given && ! override)
485	continue;
486	local_args_info.dcorr_given = 1;
487	args_info->dcorr_given = 1;
488	if (args_info->dynamicProps_group_counter && override)
489	reset_group_dynamicProps (args_info);
490	args_info->dynamicProps_group_counter += 1;
491	break;
492
493	case 'l': /* Lengendre correlation function. */
494	if (local_args_info.lcorr_given)
495	{
496	fprintf (stderr, "%s: `--lcorr' (`-l') option given more than once%s\n", argv[0], (additional_error ? additional_error : ""));
497	goto failure;
498	}
499	if (args_info->lcorr_given && ! override)
500	continue;
501	local_args_info.lcorr_given = 1;
502	args_info->lcorr_given = 1;
503	if (args_info->dynamicProps_group_counter && override)
504	reset_group_dynamicProps (args_info);
505	args_info->dynamicProps_group_counter += 1;
506	break;
507
508
509	case 0: /* Long option with no short option */
510	/* select first stuntdouble set. */
511	if (strcmp (long_options[option_index].name, "sele1") == 0)
512	{
513	if (local_args_info.sele1_given)
514	{
515	fprintf (stderr, "%s: `--sele1' option given more than once%s\n", argv[0], (additional_error ? additional_error : ""));
516	goto failure;
517	}
518	if (args_info->sele1_given && ! override)
519	continue;
520	local_args_info.sele1_given = 1;
521	args_info->sele1_given = 1;
522	if (args_info->sele1_arg)
523	free (args_info->sele1_arg); /* free previous string */
524	args_info->sele1_arg = gengetopt_strdup (optarg);
525	if (args_info->sele1_orig)
526	free (args_info->sele1_orig); /* free previous string */
527	args_info->sele1_orig = gengetopt_strdup (optarg);
528	}
529	/* select second stuntdouble set (if sele2 is not set, use script from sele1). */
530	else if (strcmp (long_options[option_index].name, "sele2") == 0)
531	{
532	if (local_args_info.sele2_given)
533	{
534	fprintf (stderr, "%s: `--sele2' option given more than once%s\n", argv[0], (additional_error ? additional_error : ""));
535	goto failure;
536	}
537	if (args_info->sele2_given && ! override)
538	continue;
539	local_args_info.sele2_given = 1;
540	args_info->sele2_given = 1;
541	if (args_info->sele2_arg)
542	free (args_info->sele2_arg); /* free previous string */
543	args_info->sele2_arg = gengetopt_strdup (optarg);
544	if (args_info->sele2_orig)
545	free (args_info->sele2_orig); /* free previous string */
546	args_info->sele2_orig = gengetopt_strdup (optarg);
547	}
548	/* Lengendre Polynomial Order. */
549	else if (strcmp (long_options[option_index].name, "order") == 0)
550	{
551	if (local_args_info.order_given)
552	{
553	fprintf (stderr, "%s: `--order' option given more than once%s\n", argv[0], (additional_error ? additional_error : ""));
554	goto failure;
555	}
556	if (args_info->order_given && ! override)
557	continue;
558	local_args_info.order_given = 1;
559	args_info->order_given = 1;
560	args_info->order_arg = strtol (optarg, &stop_char, 0);
561	if (!(stop_char && *stop_char == '\0')) {
562	fprintf(stderr, "%s: invalid numeric value: %s\n", argv[0], optarg);
563	goto failure;
564	}
565	if (args_info->order_orig)
566	free (args_info->order_orig); /* free previous string */
567	args_info->order_orig = gengetopt_strdup (optarg);
568	}
569	/* Radial rmsd. */
570	else if (strcmp (long_options[option_index].name, "r_rcorr") == 0)
571	{
572	if (local_args_info.r_rcorr_given)
573	{
574	fprintf (stderr, "%s: `--r_rcorr' option given more than once%s\n", argv[0], (additional_error ? additional_error : ""));
575	goto failure;
576	}
577	if (args_info->r_rcorr_given && ! override)
578	continue;
579	local_args_info.r_rcorr_given = 1;
580	args_info->r_rcorr_given = 1;
581	if (args_info->dynamicProps_group_counter && override)
582	reset_group_dynamicProps (args_info);
583	args_info->dynamicProps_group_counter += 1;
584	break;
585	}
586	/* Angular rmsd. */
587	else if (strcmp (long_options[option_index].name, "thetacorr") == 0)
588	{
589	if (local_args_info.thetacorr_given)
590	{
591	fprintf (stderr, "%s: `--thetacorr' option given more than once%s\n", argv[0], (additional_error ? additional_error : ""));
592	goto failure;
593	}
594	if (args_info->thetacorr_given && ! override)
595	continue;
596	local_args_info.thetacorr_given = 1;
597	args_info->thetacorr_given = 1;
598	if (args_info->dynamicProps_group_counter && override)
599	reset_group_dynamicProps (args_info);
600	args_info->dynamicProps_group_counter += 1;
601	break;
602	}
603	/* Action correlation function. */
604	else if (strcmp (long_options[option_index].name, "actioncorr") == 0)
605	{
606	if (local_args_info.actioncorr_given)
607	{
608	fprintf (stderr, "%s: `--actioncorr' option given more than once%s\n", argv[0], (additional_error ? additional_error : ""));
609	goto failure;
610	}
611	if (args_info->actioncorr_given && ! override)
612	continue;
613	local_args_info.actioncorr_given = 1;
614	args_info->actioncorr_given = 1;
615	if (args_info->dynamicProps_group_counter && override)
616	reset_group_dynamicProps (args_info);
617	args_info->dynamicProps_group_counter += 1;
618	break;
619	}
620	/* Directional rmsd for particles with unit vectors. */
621	else if (strcmp (long_options[option_index].name, "drcorr") == 0)
622	{
623	if (local_args_info.drcorr_given)
624	{
625	fprintf (stderr, "%s: `--drcorr' option given more than once%s\n", argv[0], (additional_error ? additional_error : ""));
626	goto failure;
627	}
628	if (args_info->drcorr_given && ! override)
629	continue;
630	local_args_info.drcorr_given = 1;
631	args_info->drcorr_given = 1;
632	if (args_info->dynamicProps_group_counter && override)
633	reset_group_dynamicProps (args_info);
634	args_info->dynamicProps_group_counter += 1;
635	break;
636	}
637
638	break;
639	case '?': /* Invalid option. */
640	/* `getopt_long' already printed an error message. */
641	goto failure;
642
643	default: /* bug: option not considered. */
644	fprintf (stderr, "%s: option unknown: %c%s\n", CMDLINE_PARSER_PACKAGE, c, (additional_error ? additional_error : ""));
645	abort ();
646	} /* switch */
647	} /* while */
648
649	if (args_info->dynamicProps_group_counter > 1)
650	{
651	fprintf (stderr, "%s: %d options of group dynamicProps were given. One is required.%s\n", argv[0], args_info->dynamicProps_group_counter, (additional_error ? additional_error : ""));
652	error = 1;
653	}
654
655
656
657	if (check_required)
658	{
659	error += cmdline_parser_required2 (args_info, argv[0], additional_error);
660	}
661
662	cmdline_parser_release (&local_args_info);
663
664	if ( error )
665	return (EXIT_FAILURE);
666
667	return 0;
668
669	failure:
670
671	cmdline_parser_release (&local_args_info);
672	return (EXIT_FAILURE);
673	}