applications/dump2Xyz/Dump2XYZCmd.c

/*
  File autogenerated by gengetopt version 2.15
  generated with the following command:
  gengetopt -i Dump2XYZ.ggo -F Dump2XYZCmd 

  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 "Dump2XYZCmd.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->frame_given = 0 ;
  args_info->water_given = 0 ;
  args_info->periodicBox_given = 0 ;
  args_info->zconstraint_given = 0 ;
  args_info->rigidbody_given = 0 ;
  args_info->watertype_given = 0 ;
  args_info->selection_given = 0 ;
  args_info->originsele_given = 0 ;
  args_info->refsele_given = 0 ;
  args_info->repeatX_given = 0 ;
  args_info->repeatY_given = 0 ;
  args_info->repeatZ_given = 0 ;
  args_info->gb_given = 0 ;
  args_info->basetype_given = 0 ;
  args_info->printPosOnly_given = 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->frame_arg = 1;
  args_info->frame_orig = NULL;
  args_info->water_flag = 0;
  args_info->periodicBox_flag = 0;
  args_info->zconstraint_flag = 0;
  args_info->rigidbody_flag = 0;
  args_info->watertype_flag = 1;
  args_info->selection_arg = NULL;
  args_info->selection_orig = NULL;
  args_info->originsele_arg = NULL;
  args_info->originsele_orig = NULL;
  args_info->refsele_arg = NULL;
  args_info->refsele_orig = NULL;
  args_info->repeatX_arg = 0;
  args_info->repeatX_orig = NULL;
  args_info->repeatY_arg = 0;
  args_info->repeatY_orig = NULL;
  args_info->repeatZ_arg = 0;
  args_info->repeatZ_orig = NULL;
  args_info->gb_arg = NULL;
  args_info->gb_orig = NULL;
  args_info->basetype_flag = 0;
  args_info->printPosOnly_flag = 0;
  
}

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: Dump2XYZ [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","  -n, --frame=INT               print every n frame  (default=`1')");
  printf("%s\n","  -w, --water                   skip the the waters  (default=off)");
  printf("%s\n","  -m, --periodicBox             map to the periodic box  (default=off)");
  printf("%s\n","  -z, --zconstraint             replace the atom types of zconstraint molecules \n                                   (default=off)");
  printf("%s\n","  -r, --rigidbody               add a pseudo COM atom to rigidbody  \n                                  (default=off)");
  printf("%s\n","  -t, --watertype               replace the atom type of water model  \n                                  (default=on)");
  printf("%s\n","  -s, --selection=selection script\n                                general selection syntax");
  printf("%s\n","      --originsele=selection script\n                                select origin");
  printf("%s\n","      --refsele=selection script\n                                select reference");
  printf("%s\n","      --repeatX=INT             The number of images to repeat in the x \n                                  direction  (default=`0')");
  printf("%s\n","      --repeatY=INT             The number of images to repeat in the y \n                                  direction  (default=`0')");
  printf("%s\n","      --repeatZ=INT             The number of images to repeat in the z \n                                  direction  (default=`0')");
  printf("%s\n","      --gb=atomtype             Replace the Gay-Berne atom with four linear \n                                  atoms");
  printf("%s\n","  -b, --basetype                Convert to base atom type  (default=off)");
  printf("%s\n","      --printPosOnly            Print only positions in xyz file  (default=off)");
  
}

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->frame_orig)
    {
      free (args_info->frame_orig); /* free previous argument */
      args_info->frame_orig = 0;
    }
  if (args_info->selection_arg)
    {
      free (args_info->selection_arg); /* free previous argument */
      args_info->selection_arg = 0;
    }
  if (args_info->selection_orig)
    {
      free (args_info->selection_orig); /* free previous argument */
      args_info->selection_orig = 0;
    }
  if (args_info->originsele_arg)
    {
      free (args_info->originsele_arg); /* free previous argument */
      args_info->originsele_arg = 0;
    }
  if (args_info->originsele_orig)
    {
      free (args_info->originsele_orig); /* free previous argument */
      args_info->originsele_orig = 0;
    }
  if (args_info->refsele_arg)
    {
      free (args_info->refsele_arg); /* free previous argument */
      args_info->refsele_arg = 0;
    }
  if (args_info->refsele_orig)
    {
      free (args_info->refsele_orig); /* free previous argument */
      args_info->refsele_orig = 0;
    }
  if (args_info->repeatX_orig)
    {
      free (args_info->repeatX_orig); /* free previous argument */
      args_info->repeatX_orig = 0;
    }
  if (args_info->repeatY_orig)
    {
      free (args_info->repeatY_orig); /* free previous argument */
      args_info->repeatY_orig = 0;
    }
  if (args_info->repeatZ_orig)
    {
      free (args_info->repeatZ_orig); /* free previous argument */
      args_info->repeatZ_orig = 0;
    }
  if (args_info->gb_arg)
    {
      free (args_info->gb_arg); /* free previous argument */
      args_info->gb_arg = 0;
    }
  if (args_info->gb_orig)
    {
      free (args_info->gb_orig); /* free previous argument */
      args_info->gb_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->frame_given) {
    if (args_info->frame_orig) {
      fprintf(outfile, "%s=\"%s\"\n", "frame", args_info->frame_orig);
    } else {
      fprintf(outfile, "%s\n", "frame");
    }
  }
  if (args_info->water_given) {
    fprintf(outfile, "%s\n", "water");
  }
  if (args_info->periodicBox_given) {
    fprintf(outfile, "%s\n", "periodicBox");
  }
  if (args_info->zconstraint_given) {
    fprintf(outfile, "%s\n", "zconstraint");
  }
  if (args_info->rigidbody_given) {
    fprintf(outfile, "%s\n", "rigidbody");
  }
  if (args_info->watertype_given) {
    fprintf(outfile, "%s\n", "watertype");
  }
  if (args_info->selection_given) {
    if (args_info->selection_orig) {
      fprintf(outfile, "%s=\"%s\"\n", "selection", args_info->selection_orig);
    } else {
      fprintf(outfile, "%s\n", "selection");
    }
  }
  if (args_info->originsele_given) {
    if (args_info->originsele_orig) {
      fprintf(outfile, "%s=\"%s\"\n", "originsele", args_info->originsele_orig);
    } else {
      fprintf(outfile, "%s\n", "originsele");
    }
  }
  if (args_info->refsele_given) {
    if (args_info->refsele_orig) {
      fprintf(outfile, "%s=\"%s\"\n", "refsele", args_info->refsele_orig);
    } else {
      fprintf(outfile, "%s\n", "refsele");
    }
  }
  if (args_info->repeatX_given) {
    if (args_info->repeatX_orig) {
      fprintf(outfile, "%s=\"%s\"\n", "repeatX", args_info->repeatX_orig);
    } else {
      fprintf(outfile, "%s\n", "repeatX");
    }
  }
  if (args_info->repeatY_given) {
    if (args_info->repeatY_orig) {
      fprintf(outfile, "%s=\"%s\"\n", "repeatY", args_info->repeatY_orig);
    } else {
      fprintf(outfile, "%s\n", "repeatY");
    }
  }
  if (args_info->repeatZ_given) {
    if (args_info->repeatZ_orig) {
      fprintf(outfile, "%s=\"%s\"\n", "repeatZ", args_info->repeatZ_orig);
    } else {
      fprintf(outfile, "%s\n", "repeatZ");
    }
  }
  if (args_info->gb_given) {
    if (args_info->gb_orig) {
      fprintf(outfile, "%s=\"%s\"\n", "gb", args_info->gb_orig);
    } else {
      fprintf(outfile, "%s\n", "gb");
    }
  }
  if (args_info->basetype_given) {
    fprintf(outfile, "%s\n", "basetype");
  }
  if (args_info->printPosOnly_given) {
    fprintf(outfile, "%s\n", "printPosOnly");
  }
  
  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;
}

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;
    }

  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 = 1;
  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' },
        { "frame",      1, NULL, 'n' },
        { "water",      0, NULL, 'w' },
        { "periodicBox",        0, NULL, 'm' },
        { "zconstraint",        0, NULL, 'z' },
        { "rigidbody",  0, NULL, 'r' },
        { "watertype",  0, NULL, 't' },
        { "selection",  1, NULL, 's' },
        { "originsele", 1, NULL, 0 },
        { "refsele",    1, NULL, 0 },
        { "repeatX",    1, NULL, 0 },
        { "repeatY",    1, NULL, 0 },
        { "repeatZ",    1, NULL, 0 },
        { "gb", 1, NULL, 0 },
        { "basetype",   0, NULL, 'b' },
        { "printPosOnly",       0, NULL, 0 },
        { NULL, 0, NULL, 0 }
      };

      stop_char = 0;
      c = getopt_long (argc, argv, "hVi:o:n:wmzrts:b", 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 'n':       /* print every n frame.  */
          if (local_args_info.frame_given)
            {
              fprintf (stderr, "%s: `--frame' (`-n') option given more than once%s\n", argv[0], (additional_error ? additional_error : ""));
              goto failure;
            }
          if (args_info->frame_given && ! override)
            continue;
          local_args_info.frame_given = 1;
          args_info->frame_given = 1;
          args_info->frame_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->frame_orig)
            free (args_info->frame_orig); /* free previous string */
          args_info->frame_orig = gengetopt_strdup (optarg);
          break;

        case 'w':       /* skip the the waters.  */
          if (local_args_info.water_given)
            {
              fprintf (stderr, "%s: `--water' (`-w') option given more than once%s\n", argv[0], (additional_error ? additional_error : ""));
              goto failure;
            }
          if (args_info->water_given && ! override)
            continue;
          local_args_info.water_given = 1;
          args_info->water_given = 1;
          args_info->water_flag = !(args_info->water_flag);
          break;

        case 'm':       /* map to the periodic box.  */
          if (local_args_info.periodicBox_given)
            {
              fprintf (stderr, "%s: `--periodicBox' (`-m') option given more than once%s\n", argv[0], (additional_error ? additional_error : ""));
              goto failure;
            }
          if (args_info->periodicBox_given && ! override)
            continue;
          local_args_info.periodicBox_given = 1;
          args_info->periodicBox_given = 1;
          args_info->periodicBox_flag = !(args_info->periodicBox_flag);
          break;

        case 'z':       /* replace the atom types of zconstraint molecules.  */
          if (local_args_info.zconstraint_given)
            {
              fprintf (stderr, "%s: `--zconstraint' (`-z') option given more than once%s\n", argv[0], (additional_error ? additional_error : ""));
              goto failure;
            }
          if (args_info->zconstraint_given && ! override)
            continue;
          local_args_info.zconstraint_given = 1;
          args_info->zconstraint_given = 1;
          args_info->zconstraint_flag = !(args_info->zconstraint_flag);
          break;

        case 'r':       /* add a pseudo COM atom to rigidbody.  */
          if (local_args_info.rigidbody_given)
            {
              fprintf (stderr, "%s: `--rigidbody' (`-r') option given more than once%s\n", argv[0], (additional_error ? additional_error : ""));
              goto failure;
            }
          if (args_info->rigidbody_given && ! override)
            continue;
          local_args_info.rigidbody_given = 1;
          args_info->rigidbody_given = 1;
          args_info->rigidbody_flag = !(args_info->rigidbody_flag);
          break;

        case 't':       /* replace the atom type of water model.  */
          if (local_args_info.watertype_given)
            {
              fprintf (stderr, "%s: `--watertype' (`-t') option given more than once%s\n", argv[0], (additional_error ? additional_error : ""));
              goto failure;
            }
          if (args_info->watertype_given && ! override)
            continue;
          local_args_info.watertype_given = 1;
          args_info->watertype_given = 1;
          args_info->watertype_flag = !(args_info->watertype_flag);
          break;

        case 's':       /* general selection syntax.  */
          if (local_args_info.selection_given)
            {
              fprintf (stderr, "%s: `--selection' (`-s') option given more than once%s\n", argv[0], (additional_error ? additional_error : ""));
              goto failure;
            }
          if (args_info->selection_given && ! override)
            continue;
          local_args_info.selection_given = 1;
          args_info->selection_given = 1;
          if (args_info->selection_arg)
            free (args_info->selection_arg); /* free previous string */
          args_info->selection_arg = gengetopt_strdup (optarg);
          if (args_info->selection_orig)
            free (args_info->selection_orig); /* free previous string */
          args_info->selection_orig = gengetopt_strdup (optarg);
          break;

        case 'b':       /* Convert to base atom type.  */
          if (local_args_info.basetype_given)
            {
              fprintf (stderr, "%s: `--basetype' (`-b') option given more than once%s\n", argv[0], (additional_error ? additional_error : ""));
              goto failure;
            }
          if (args_info->basetype_given && ! override)
            continue;
          local_args_info.basetype_given = 1;
          args_info->basetype_given = 1;
          args_info->basetype_flag = !(args_info->basetype_flag);
          break;


        case 0: /* Long option with no short option */
          /* select origin.  */
          if (strcmp (long_options[option_index].name, "originsele") == 0)
          {
            if (local_args_info.originsele_given)
              {
                fprintf (stderr, "%s: `--originsele' option given more than once%s\n", argv[0], (additional_error ? additional_error : ""));
                goto failure;
              }
            if (args_info->originsele_given && ! override)
              continue;
            local_args_info.originsele_given = 1;
            args_info->originsele_given = 1;
            if (args_info->originsele_arg)
              free (args_info->originsele_arg); /* free previous string */
            args_info->originsele_arg = gengetopt_strdup (optarg);
            if (args_info->originsele_orig)
              free (args_info->originsele_orig); /* free previous string */
            args_info->originsele_orig = gengetopt_strdup (optarg);
          }
          /* select reference.  */
          else if (strcmp (long_options[option_index].name, "refsele") == 0)
          {
            if (local_args_info.refsele_given)
              {
                fprintf (stderr, "%s: `--refsele' option given more than once%s\n", argv[0], (additional_error ? additional_error : ""));
                goto failure;
              }
            if (args_info->refsele_given && ! override)
              continue;
            local_args_info.refsele_given = 1;
            args_info->refsele_given = 1;
            if (args_info->refsele_arg)
              free (args_info->refsele_arg); /* free previous string */
            args_info->refsele_arg = gengetopt_strdup (optarg);
            if (args_info->refsele_orig)
              free (args_info->refsele_orig); /* free previous string */
            args_info->refsele_orig = gengetopt_strdup (optarg);
          }
          /* The number of images to repeat in the x direction.  */
          else if (strcmp (long_options[option_index].name, "repeatX") == 0)
          {
            if (local_args_info.repeatX_given)
              {
                fprintf (stderr, "%s: `--repeatX' option given more than once%s\n", argv[0], (additional_error ? additional_error : ""));
                goto failure;
              }
            if (args_info->repeatX_given && ! override)
              continue;
            local_args_info.repeatX_given = 1;
            args_info->repeatX_given = 1;
            args_info->repeatX_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->repeatX_orig)
              free (args_info->repeatX_orig); /* free previous string */
            args_info->repeatX_orig = gengetopt_strdup (optarg);
          }
          /* The number of images to repeat in the y direction.  */
          else if (strcmp (long_options[option_index].name, "repeatY") == 0)
          {
            if (local_args_info.repeatY_given)
              {
                fprintf (stderr, "%s: `--repeatY' option given more than once%s\n", argv[0], (additional_error ? additional_error : ""));
                goto failure;
              }
            if (args_info->repeatY_given && ! override)
              continue;
            local_args_info.repeatY_given = 1;
            args_info->repeatY_given = 1;
            args_info->repeatY_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->repeatY_orig)
              free (args_info->repeatY_orig); /* free previous string */
            args_info->repeatY_orig = gengetopt_strdup (optarg);
          }
          /* The number of images to repeat in the z direction.  */
          else if (strcmp (long_options[option_index].name, "repeatZ") == 0)
          {
            if (local_args_info.repeatZ_given)
              {
                fprintf (stderr, "%s: `--repeatZ' option given more than once%s\n", argv[0], (additional_error ? additional_error : ""));
                goto failure;
              }
            if (args_info->repeatZ_given && ! override)
              continue;
            local_args_info.repeatZ_given = 1;
            args_info->repeatZ_given = 1;
            args_info->repeatZ_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->repeatZ_orig)
              free (args_info->repeatZ_orig); /* free previous string */
            args_info->repeatZ_orig = gengetopt_strdup (optarg);
          }
          /* Replace the Gay-Berne atom with four linear atoms.  */
          else if (strcmp (long_options[option_index].name, "gb") == 0)
          {
            if (local_args_info.gb_given)
              {
                fprintf (stderr, "%s: `--gb' option given more than once%s\n", argv[0], (additional_error ? additional_error : ""));
                goto failure;
              }
            if (args_info->gb_given && ! override)
              continue;
            local_args_info.gb_given = 1;
            args_info->gb_given = 1;
            if (args_info->gb_arg)
              free (args_info->gb_arg); /* free previous string */
            args_info->gb_arg = gengetopt_strdup (optarg);
            if (args_info->gb_orig)
              free (args_info->gb_orig); /* free previous string */
            args_info->gb_orig = gengetopt_strdup (optarg);
          }
          /* Print only positions in xyz file.  */
          else if (strcmp (long_options[option_index].name, "printPosOnly") == 0)
          {
            if (local_args_info.printPosOnly_given)
              {
                fprintf (stderr, "%s: `--printPosOnly' option given more than once%s\n", argv[0], (additional_error ? additional_error : ""));
                goto failure;
              }
            if (args_info->printPosOnly_given && ! override)
              continue;
            local_args_info.printPosOnly_given = 1;
            args_info->printPosOnly_given = 1;
            args_info->printPosOnly_flag = !(args_info->printPosOnly_flag);
          }
          
          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 (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:	3115
Committed:	Tue Jan 16 22:17:27 2007 UTC (17 years, 5 months ago) by chuckv
Content type:	text/plain
File size:	27986 byte(s)
Log Message:	Added printPosOnly to Dump2XYZ as a userbase(BETH) request.