applications/staticProps/StaticPropsCmd.cpp

/*
  File autogenerated by gengetopt version 2.11
  generated with the following command:
  /home/maul/gezelter/tim/program/gengetopt-2.11/src/gengetopt -F StaticPropsCmd 

  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.
*/


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

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

#include "getopt.h"

#include "StaticPropsCmd.h"

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("\n"
  "Usage: %s [OPTIONS]...\n", CMDLINE_PARSER_PACKAGE);
  printf("\n");
  printf("  -h, --help                      Print help and exit\n");
  printf("  -V, --version                   Print version and exit\n");
  printf("  -i, --input=filename            input dump file\n");
  printf("  -o, --output=filename           output file name\n");
  printf("  -n, --step=INT                  process every n frame  (default=`1')\n");
  printf("  -r, --nrbins=INT                number of bins for distance  (default=`100')\n");
  printf("  -a, --nanglebins=INT            number of bins for cos(angle)  (default=\n                                    `50')\n");
  printf("  -l, --length=DOUBLE             maximum length (Defaults to 1/2 smallest \n                                    length of first frame)\n");
  printf("      --sele1=selection script    select the first stuntdouble set\n");
  printf("      --sele2=selection script    select the second stuntdouble set\n");
  printf("      --sele3=selection script    select the third stuntdouble set\n");
  printf("      --refsele=selection script  select reference (use and only use with \n                                    --gxyz)\n");
  printf("      --molname=STRING            molecule name\n");
  printf("      --begin=INT                 begin interanl index\n");
  printf("      --end=INT                   end internal index\n");
  printf("\n");
  printf(" Group: staticProps  an option of this group is required\n");
  printf("      --gofr                      g(r)\n");
  printf("      --r_theta                   g(r, cos(theta))\n");
  printf("      --r_omega                   g(r, cos(omega))\n");
  printf("      --theta_omega               g(cos(theta), cos(omega))\n");
  printf("      --gxyz                      g(x, y, z)\n");
  printf("      --p2                        p2 order parameter (--sele1 and --sele2 must \n                                    be specified)\n");
  printf("      --scd                       scd order parameter(either --sele1, --sele2, \n                                    --sele3 are specified or --molname, \n                                    --begin, --end are specified)\n");
  printf("      --density                   density plot (--sele1 must be specified)\n");
  printf("      --slab_density              slab density (--sele1 must be specified)\n");
}


static char *gengetopt_strdup (const char *s);

/* gengetopt_strdup() */
/* strdup.c replacement of strdup, which is not standard */
char *
gengetopt_strdup (const char *s)
{
  char *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)
{
  int c;        /* Character of the parsed option.  */
  int missing_required_options = 0;
  int staticProps_group_counter = 0;
  

  args_info->help_given = 0 ;
  args_info->version_given = 0 ;
  args_info->input_given = 0 ;
  args_info->output_given = 0 ;
  args_info->step_given = 0 ;
  args_info->nrbins_given = 0 ;
  args_info->nanglebins_given = 0 ;
  args_info->length_given = 0 ;
  args_info->sele1_given = 0 ;
  args_info->sele2_given = 0 ;
  args_info->sele3_given = 0 ;
  args_info->refsele_given = 0 ;
  args_info->molname_given = 0 ;
  args_info->begin_given = 0 ;
  args_info->end_given = 0 ;
  args_info->gofr_given = 0 ;
  args_info->r_theta_given = 0 ;
  args_info->r_omega_given = 0 ;
  args_info->theta_omega_given = 0 ;
  args_info->gxyz_given = 0 ;
  args_info->p2_given = 0 ;
  args_info->scd_given = 0 ;
  args_info->density_given = 0 ;
  args_info->slab_density_given = 0 ;
#define clear_args() { \
  args_info->input_arg = NULL; \
  args_info->output_arg = NULL; \
  args_info->step_arg = 1 ;\
  args_info->nrbins_arg = 100 ;\
  args_info->nanglebins_arg = 50 ;\
  args_info->sele1_arg = NULL; \
  args_info->sele2_arg = NULL; \
  args_info->sele3_arg = NULL; \
  args_info->refsele_arg = NULL; \
  args_info->molname_arg = NULL; \
}

  clear_args();

  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' },
        { "step",       1, NULL, 'n' },
        { "nrbins",     1, NULL, 'r' },
        { "nanglebins", 1, NULL, 'a' },
        { "length",     1, NULL, 'l' },
        { "sele1",      1, NULL, 0 },
        { "sele2",      1, NULL, 0 },
        { "sele3",      1, NULL, 0 },
        { "refsele",    1, NULL, 0 },
        { "molname",    1, NULL, 0 },
        { "begin",      1, NULL, 0 },
        { "end",        1, NULL, 0 },
        { "gofr",       0, NULL, 0 },
        { "r_theta",    0, NULL, 0 },
        { "r_omega",    0, NULL, 0 },
        { "theta_omega",        0, NULL, 0 },
        { "gxyz",       0, NULL, 0 },
        { "p2", 0, NULL, 0 },
        { "scd",        0, NULL, 0 },
        { "density",    0, NULL, 0 },
        { "slab_density",       0, NULL, 0 },
        { NULL, 0, NULL, 0 }
      };

      stop_char = 0;
      c = getopt_long (argc, argv, "hVi:o:n:r:a:l:", long_options, &option_index);

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

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

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

        case 'i':       /* input dump file.  */
          if (args_info->input_given)
            {
              fprintf (stderr, "%s: `--input' (`-i') option given more than once\n", CMDLINE_PARSER_PACKAGE);
              clear_args ();
              exit (EXIT_FAILURE);
            }
          args_info->input_given = 1;
          args_info->input_arg = gengetopt_strdup (optarg);
          break;

        case 'o':       /* output file name.  */
          if (args_info->output_given)
            {
              fprintf (stderr, "%s: `--output' (`-o') option given more than once\n", CMDLINE_PARSER_PACKAGE);
              clear_args ();
              exit (EXIT_FAILURE);
            }
          args_info->output_given = 1;
          args_info->output_arg = gengetopt_strdup (optarg);
          break;

        case 'n':       /* process every n frame.  */
          if (args_info->step_given)
            {
              fprintf (stderr, "%s: `--step' (`-n') option given more than once\n", CMDLINE_PARSER_PACKAGE);
              clear_args ();
              exit (EXIT_FAILURE);
            }
          args_info->step_given = 1;
          args_info->step_arg = strtol (optarg,&stop_char,0);
          break;

        case 'r':       /* number of bins for distance.  */
          if (args_info->nrbins_given)
            {
              fprintf (stderr, "%s: `--nrbins' (`-r') option given more than once\n", CMDLINE_PARSER_PACKAGE);
              clear_args ();
              exit (EXIT_FAILURE);
            }
          args_info->nrbins_given = 1;
          args_info->nrbins_arg = strtol (optarg,&stop_char,0);
          break;

        case 'a':       /* number of bins for cos(angle).  */
          if (args_info->nanglebins_given)
            {
              fprintf (stderr, "%s: `--nanglebins' (`-a') option given more than once\n", CMDLINE_PARSER_PACKAGE);
              clear_args ();
              exit (EXIT_FAILURE);
            }
          args_info->nanglebins_given = 1;
          args_info->nanglebins_arg = strtol (optarg,&stop_char,0);
          break;

        case 'l':       /* maximum length (Defaults to 1/2 smallest length of first frame).  */
          if (args_info->length_given)
            {
              fprintf (stderr, "%s: `--length' (`-l') option given more than once\n", CMDLINE_PARSER_PACKAGE);
              clear_args ();
              exit (EXIT_FAILURE);
            }
          args_info->length_given = 1;
          args_info->length_arg = strtod (optarg, NULL);
          break;


        case 0: /* Long option with no short option */
          /* select the first stuntdouble set.  */
          if (strcmp (long_options[option_index].name, "sele1") == 0)
          {
            if (args_info->sele1_given)
              {
                fprintf (stderr, "%s: `--sele1' option given more than once\n", CMDLINE_PARSER_PACKAGE);
                clear_args ();
                exit (EXIT_FAILURE);
              }
            args_info->sele1_given = 1;
            args_info->sele1_arg = gengetopt_strdup (optarg);
            break;
          }
          
          /* select the second stuntdouble set.  */
          else if (strcmp (long_options[option_index].name, "sele2") == 0)
          {
            if (args_info->sele2_given)
              {
                fprintf (stderr, "%s: `--sele2' option given more than once\n", CMDLINE_PARSER_PACKAGE);
                clear_args ();
                exit (EXIT_FAILURE);
              }
            args_info->sele2_given = 1;
            args_info->sele2_arg = gengetopt_strdup (optarg);
            break;
          }
          
          /* select the third stuntdouble set.  */
          else if (strcmp (long_options[option_index].name, "sele3") == 0)
          {
            if (args_info->sele3_given)
              {
                fprintf (stderr, "%s: `--sele3' option given more than once\n", CMDLINE_PARSER_PACKAGE);
                clear_args ();
                exit (EXIT_FAILURE);
              }
            args_info->sele3_given = 1;
            args_info->sele3_arg = gengetopt_strdup (optarg);
            break;
          }
          
          /* select reference (use and only use with --gxyz).  */
          else if (strcmp (long_options[option_index].name, "refsele") == 0)
          {
            if (args_info->refsele_given)
              {
                fprintf (stderr, "%s: `--refsele' option given more than once\n", CMDLINE_PARSER_PACKAGE);
                clear_args ();
                exit (EXIT_FAILURE);
              }
            args_info->refsele_given = 1;
            args_info->refsele_arg = gengetopt_strdup (optarg);
            break;
          }
          
          /* molecule name.  */
          else if (strcmp (long_options[option_index].name, "molname") == 0)
          {
            if (args_info->molname_given)
              {
                fprintf (stderr, "%s: `--molname' option given more than once\n", CMDLINE_PARSER_PACKAGE);
                clear_args ();
                exit (EXIT_FAILURE);
              }
            args_info->molname_given = 1;
            args_info->molname_arg = gengetopt_strdup (optarg);
            break;
          }
          
          /* begin interanl index.  */
          else if (strcmp (long_options[option_index].name, "begin") == 0)
          {
            if (args_info->begin_given)
              {
                fprintf (stderr, "%s: `--begin' option given more than once\n", CMDLINE_PARSER_PACKAGE);
                clear_args ();
                exit (EXIT_FAILURE);
              }
            args_info->begin_given = 1;
            args_info->begin_arg = strtol (optarg,&stop_char,0);
            break;
          }
          
          /* end internal index.  */
          else if (strcmp (long_options[option_index].name, "end") == 0)
          {
            if (args_info->end_given)
              {
                fprintf (stderr, "%s: `--end' option given more than once\n", CMDLINE_PARSER_PACKAGE);
                clear_args ();
                exit (EXIT_FAILURE);
              }
            args_info->end_given = 1;
            args_info->end_arg = strtol (optarg,&stop_char,0);
            break;
          }
          
          /* g(r).  */
          else if (strcmp (long_options[option_index].name, "gofr") == 0)
          {
            if (args_info->gofr_given)
              {
                fprintf (stderr, "%s: `--gofr' option given more than once\n", CMDLINE_PARSER_PACKAGE);
                clear_args ();
                exit (EXIT_FAILURE);
              }
            args_info->gofr_given = 1; staticProps_group_counter += 1;
          
            break;
          }
          
          /* g(r, cos(theta)).  */
          else if (strcmp (long_options[option_index].name, "r_theta") == 0)
          {
            if (args_info->r_theta_given)
              {
                fprintf (stderr, "%s: `--r_theta' option given more than once\n", CMDLINE_PARSER_PACKAGE);
                clear_args ();
                exit (EXIT_FAILURE);
              }
            args_info->r_theta_given = 1; staticProps_group_counter += 1;
          
            break;
          }
          
          /* g(r, cos(omega)).  */
          else if (strcmp (long_options[option_index].name, "r_omega") == 0)
          {
            if (args_info->r_omega_given)
              {
                fprintf (stderr, "%s: `--r_omega' option given more than once\n", CMDLINE_PARSER_PACKAGE);
                clear_args ();
                exit (EXIT_FAILURE);
              }
            args_info->r_omega_given = 1; staticProps_group_counter += 1;
          
            break;
          }
          
          /* g(cos(theta), cos(omega)).  */
          else if (strcmp (long_options[option_index].name, "theta_omega") == 0)
          {
            if (args_info->theta_omega_given)
              {
                fprintf (stderr, "%s: `--theta_omega' option given more than once\n", CMDLINE_PARSER_PACKAGE);
                clear_args ();
                exit (EXIT_FAILURE);
              }
            args_info->theta_omega_given = 1; staticProps_group_counter += 1;
          
            break;
          }
          
          /* g(x, y, z).  */
          else if (strcmp (long_options[option_index].name, "gxyz") == 0)
          {
            if (args_info->gxyz_given)
              {
                fprintf (stderr, "%s: `--gxyz' option given more than once\n", CMDLINE_PARSER_PACKAGE);
                clear_args ();
                exit (EXIT_FAILURE);
              }
            args_info->gxyz_given = 1; staticProps_group_counter += 1;
          
            break;
          }
          
          /* p2 order parameter (--sele1 and --sele2 must be specified).  */
          else if (strcmp (long_options[option_index].name, "p2") == 0)
          {
            if (args_info->p2_given)
              {
                fprintf (stderr, "%s: `--p2' option given more than once\n", CMDLINE_PARSER_PACKAGE);
                clear_args ();
                exit (EXIT_FAILURE);
              }
            args_info->p2_given = 1; staticProps_group_counter += 1;
          
            break;
          }
          
          /* scd order parameter(either --sele1, --sele2, --sele3 are specified or --molname, --begin, --end are specified).  */
          else if (strcmp (long_options[option_index].name, "scd") == 0)
          {
            if (args_info->scd_given)
              {
                fprintf (stderr, "%s: `--scd' option given more than once\n", CMDLINE_PARSER_PACKAGE);
                clear_args ();
                exit (EXIT_FAILURE);
              }
            args_info->scd_given = 1; staticProps_group_counter += 1;
          
            break;
          }
          
          /* density plot (--sele1 must be specified).  */
          else if (strcmp (long_options[option_index].name, "density") == 0)
          {
            if (args_info->density_given)
              {
                fprintf (stderr, "%s: `--density' option given more than once\n", CMDLINE_PARSER_PACKAGE);
                clear_args ();
                exit (EXIT_FAILURE);
              }
            args_info->density_given = 1; staticProps_group_counter += 1;
          
            break;
          }
          
          /* slab density (--sele1 must be specified).  */
          else if (strcmp (long_options[option_index].name, "slab_density") == 0)
          {
            if (args_info->slab_density_given)
              {
                fprintf (stderr, "%s: `--slab_density' option given more than once\n", CMDLINE_PARSER_PACKAGE);
                clear_args ();
                exit (EXIT_FAILURE);
              }
            args_info->slab_density_given = 1; staticProps_group_counter += 1;
          
            break;
          }
          

        case '?':       /* Invalid option.  */
          /* `getopt_long' already printed an error message.  */
          exit (EXIT_FAILURE);

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

  if ( staticProps_group_counter != 1)
    {
      fprintf (stderr, "%s: %d options of group staticProps were given. One is required\n", CMDLINE_PARSER_PACKAGE, staticProps_group_counter);
      missing_required_options = 1;
    }
  

  if (! args_info->input_given)
    {
      fprintf (stderr, "%s: '--input' ('-i') option required\n", CMDLINE_PARSER_PACKAGE);
      missing_required_options = 1;
    }
  if ( missing_required_options )
    exit (EXIT_FAILURE);

  return 0;
}
Revision:	840
Committed:	Mon Jan 9 22:14:32 2006 UTC (19 years, 3 months ago) by tim
Content type:	text/plain
Original Path:	*trunk/src/applications/staticProps/StaticPropsCmd.c*
File size:	17991 byte(s)
Log Message:	fixing RhoZ
#	User	Rev	Content
1	tim	310	/*
2			File autogenerated by gengetopt version 2.11
3			generated with the following command:
4	tim	840	/home/maul/gezelter/tim/program/gengetopt-2.11/src/gengetopt -F StaticPropsCmd
5	tim	310
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
12			#include <stdio.h>
13			#include <stdlib.h>
14			#include <string.h>
15
16			/* If we use autoconf. */
17			#ifdef HAVE_CONFIG_H
18			#include "config.h"
19			#endif
20
21			#include "getopt.h"
22
23	tim	311	#include "StaticPropsCmd.h"
24	tim	310
25			void
26			cmdline_parser_print_version (void)
27			{
28			printf ("%s %s\n", CMDLINE_PARSER_PACKAGE, CMDLINE_PARSER_VERSION);
29			}
30
31			void
32			cmdline_parser_print_help (void)
33			{
34			cmdline_parser_print_version ();
35			printf("\n"
36	tim	543	"Usage: %s [OPTIONS]...\n", CMDLINE_PARSER_PACKAGE);
37	tim	310	printf("\n");
38	tim	369	printf(" -h, --help Print help and exit\n");
39			printf(" -V, --version Print version and exit\n");
40			printf(" -i, --input=filename input dump file\n");
41			printf(" -o, --output=filename output file name\n");
42			printf(" -n, --step=INT process every n frame (default=`1')\n");
43			printf(" -r, --nrbins=INT number of bins for distance (default=`100')\n");
44			printf(" -a, --nanglebins=INT number of bins for cos(angle) (default=\n `50')\n");
45			printf(" -l, --length=DOUBLE maximum length (Defaults to 1/2 smallest \n length of first frame)\n");
46	tim	544	printf(" --sele1=selection script select the first stuntdouble set\n");
47			printf(" --sele2=selection script select the second stuntdouble set\n");
48			printf(" --sele3=selection script select the third stuntdouble set\n");
49	tim	369	printf(" --refsele=selection script select reference (use and only use with \n --gxyz)\n");
50	tim	544	printf(" --molname=STRING molecule name\n");
51			printf(" --begin=INT begin interanl index\n");
52			printf(" --end=INT end internal index\n");
53	tim	310	printf("\n");
54			printf(" Group: staticProps an option of this group is required\n");
55	tim	369	printf(" --gofr g(r)\n");
56			printf(" --r_theta g(r, cos(theta))\n");
57			printf(" --r_omega g(r, cos(omega))\n");
58			printf(" --theta_omega g(cos(theta), cos(omega))\n");
59			printf(" --gxyz g(x, y, z)\n");
60	tim	544	printf(" --p2 p2 order parameter (--sele1 and --sele2 must \n be specified)\n");
61			printf(" --scd scd order parameter(either --sele1, --sele2, \n --sele3 are specified or --molname, \n --begin, --end are specified)\n");
62	tim	545	printf(" --density density plot (--sele1 must be specified)\n");
63	tim	840	printf(" --slab_density slab density (--sele1 must be specified)\n");
64	tim	310	}
65
66
67			static char gengetopt_strdup (const char s);
68
69			/* gengetopt_strdup() */
70			/* strdup.c replacement of strdup, which is not standard */
71			char *
72			gengetopt_strdup (const char *s)
73			{
74			char result = (char)malloc(strlen(s) + 1);
75			if (result == (char*)0)
76			return (char*)0;
77			strcpy(result, s);
78			return result;
79			}
80
81			int
82			cmdline_parser (int argc, char * const argv, struct gengetopt_args_info args_info)
83			{
84			int c; /* Character of the parsed option. */
85			int missing_required_options = 0;
86			int staticProps_group_counter = 0;
87
88
89			args_info->help_given = 0 ;
90			args_info->version_given = 0 ;
91			args_info->input_given = 0 ;
92			args_info->output_given = 0 ;
93	tim	311	args_info->step_given = 0 ;
94			args_info->nrbins_given = 0 ;
95	tim	310	args_info->nanglebins_given = 0 ;
96			args_info->length_given = 0 ;
97			args_info->sele1_given = 0 ;
98			args_info->sele2_given = 0 ;
99	tim	544	args_info->sele3_given = 0 ;
100	tim	369	args_info->refsele_given = 0 ;
101	tim	544	args_info->molname_given = 0 ;
102			args_info->begin_given = 0 ;
103			args_info->end_given = 0 ;
104	tim	310	args_info->gofr_given = 0 ;
105			args_info->r_theta_given = 0 ;
106			args_info->r_omega_given = 0 ;
107			args_info->theta_omega_given = 0 ;
108	tim	369	args_info->gxyz_given = 0 ;
109	tim	543	args_info->p2_given = 0 ;
110	tim	544	args_info->scd_given = 0 ;
111	tim	545	args_info->density_given = 0 ;
112	tim	840	args_info->slab_density_given = 0 ;
113	tim	543	#define clear_args() { \
114			args_info->input_arg = NULL; \
115			args_info->output_arg = NULL; \
116			args_info->step_arg = 1 ;\
117			args_info->nrbins_arg = 100 ;\
118			args_info->nanglebins_arg = 50 ;\
119			args_info->sele1_arg = NULL; \
120			args_info->sele2_arg = NULL; \
121	tim	544	args_info->sele3_arg = NULL; \
122	tim	543	args_info->refsele_arg = NULL; \
123	tim	544	args_info->molname_arg = NULL; \
124	tim	543	}
125	tim	310
126			clear_args();
127
128			optarg = 0;
129			optind = 1;
130			opterr = 1;
131			optopt = '?';
132
133			while (1)
134			{
135			int option_index = 0;
136			char *stop_char;
137
138			static struct option long_options[] = {
139			{ "help", 0, NULL, 'h' },
140			{ "version", 0, NULL, 'V' },
141			{ "input", 1, NULL, 'i' },
142			{ "output", 1, NULL, 'o' },
143	tim	311	{ "step", 1, NULL, 'n' },
144			{ "nrbins", 1, NULL, 'r' },
145	tim	310	{ "nanglebins", 1, NULL, 'a' },
146			{ "length", 1, NULL, 'l' },
147			{ "sele1", 1, NULL, 0 },
148			{ "sele2", 1, NULL, 0 },
149	tim	544	{ "sele3", 1, NULL, 0 },
150	tim	369	{ "refsele", 1, NULL, 0 },
151	tim	544	{ "molname", 1, NULL, 0 },
152			{ "begin", 1, NULL, 0 },
153			{ "end", 1, NULL, 0 },
154	tim	310	{ "gofr", 0, NULL, 0 },
155			{ "r_theta", 0, NULL, 0 },
156			{ "r_omega", 0, NULL, 0 },
157			{ "theta_omega", 0, NULL, 0 },
158	tim	369	{ "gxyz", 0, NULL, 0 },
159	tim	543	{ "p2", 0, NULL, 0 },
160	tim	544	{ "scd", 0, NULL, 0 },
161	tim	545	{ "density", 0, NULL, 0 },
162	tim	840	{ "slab_density", 0, NULL, 0 },
163	tim	310	{ NULL, 0, NULL, 0 }
164			};
165
166			stop_char = 0;
167	tim	311	c = getopt_long (argc, argv, "hVi:o:n:r:a:l:", long_options, &option_index);
168	tim	310
169			if (c == -1) break; /* Exit from `while (1)' loop. */
170
171			switch (c)
172			{
173			case 'h': /* Print help and exit. */
174			clear_args ();
175			cmdline_parser_print_help ();
176			exit (EXIT_SUCCESS);
177
178			case 'V': /* Print version and exit. */
179			clear_args ();
180			cmdline_parser_print_version ();
181			exit (EXIT_SUCCESS);
182
183			case 'i': /* input dump file. */
184			if (args_info->input_given)
185			{
186			fprintf (stderr, "%s: `--input' (`-i') option given more than once\n", CMDLINE_PARSER_PACKAGE);
187			clear_args ();
188			exit (EXIT_FAILURE);
189			}
190			args_info->input_given = 1;
191			args_info->input_arg = gengetopt_strdup (optarg);
192			break;
193
194			case 'o': /* output file name. */
195			if (args_info->output_given)
196			{
197			fprintf (stderr, "%s: `--output' (`-o') option given more than once\n", CMDLINE_PARSER_PACKAGE);
198			clear_args ();
199			exit (EXIT_FAILURE);
200			}
201			args_info->output_given = 1;
202			args_info->output_arg = gengetopt_strdup (optarg);
203			break;
204
205	tim	311	case 'n': /* process every n frame. */
206			if (args_info->step_given)
207	tim	310	{
208	tim	311	fprintf (stderr, "%s: `--step' (`-n') option given more than once\n", CMDLINE_PARSER_PACKAGE);
209	tim	310	clear_args ();
210			exit (EXIT_FAILURE);
211			}
212	tim	311	args_info->step_given = 1;
213			args_info->step_arg = strtol (optarg,&stop_char,0);
214	tim	310	break;
215
216	tim	311	case 'r': /* number of bins for distance. */
217			if (args_info->nrbins_given)
218	tim	310	{
219	tim	311	fprintf (stderr, "%s: `--nrbins' (`-r') option given more than once\n", CMDLINE_PARSER_PACKAGE);
220	tim	310	clear_args ();
221			exit (EXIT_FAILURE);
222			}
223	tim	311	args_info->nrbins_given = 1;
224			args_info->nrbins_arg = strtol (optarg,&stop_char,0);
225	tim	310	break;
226
227			case 'a': /* number of bins for cos(angle). */
228			if (args_info->nanglebins_given)
229			{
230			fprintf (stderr, "%s: `--nanglebins' (`-a') option given more than once\n", CMDLINE_PARSER_PACKAGE);
231			clear_args ();
232			exit (EXIT_FAILURE);
233			}
234			args_info->nanglebins_given = 1;
235			args_info->nanglebins_arg = strtol (optarg,&stop_char,0);
236			break;
237
238	tim	354	case 'l': /* maximum length (Defaults to 1/2 smallest length of first frame). */
239	tim	310	if (args_info->length_given)
240			{
241			fprintf (stderr, "%s: `--length' (`-l') option given more than once\n", CMDLINE_PARSER_PACKAGE);
242			clear_args ();
243			exit (EXIT_FAILURE);
244			}
245			args_info->length_given = 1;
246			args_info->length_arg = strtod (optarg, NULL);
247			break;
248
249
250			case 0: /* Long option with no short option */
251	tim	544	/* select the first stuntdouble set. */
252	tim	310	if (strcmp (long_options[option_index].name, "sele1") == 0)
253	tim	543	{
254			if (args_info->sele1_given)
255			{
256			fprintf (stderr, "%s: `--sele1' option given more than once\n", CMDLINE_PARSER_PACKAGE);
257			clear_args ();
258			exit (EXIT_FAILURE);
259			}
260			args_info->sele1_given = 1;
261			args_info->sele1_arg = gengetopt_strdup (optarg);
262			break;
263			}
264	tim	310
265	tim	544	/* select the second stuntdouble set. */
266	tim	310	else if (strcmp (long_options[option_index].name, "sele2") == 0)
267	tim	543	{
268			if (args_info->sele2_given)
269			{
270			fprintf (stderr, "%s: `--sele2' option given more than once\n", CMDLINE_PARSER_PACKAGE);
271			clear_args ();
272			exit (EXIT_FAILURE);
273			}
274			args_info->sele2_given = 1;
275			args_info->sele2_arg = gengetopt_strdup (optarg);
276			break;
277			}
278	tim	310
279	tim	544	/* select the third stuntdouble set. */
280			else if (strcmp (long_options[option_index].name, "sele3") == 0)
281			{
282			if (args_info->sele3_given)
283			{
284			fprintf (stderr, "%s: `--sele3' option given more than once\n", CMDLINE_PARSER_PACKAGE);
285			clear_args ();
286			exit (EXIT_FAILURE);
287			}
288			args_info->sele3_given = 1;
289			args_info->sele3_arg = gengetopt_strdup (optarg);
290			break;
291			}
292
293	tim	369	/* select reference (use and only use with --gxyz). */
294			else if (strcmp (long_options[option_index].name, "refsele") == 0)
295	tim	543	{
296			if (args_info->refsele_given)
297			{
298			fprintf (stderr, "%s: `--refsele' option given more than once\n", CMDLINE_PARSER_PACKAGE);
299			clear_args ();
300			exit (EXIT_FAILURE);
301			}
302			args_info->refsele_given = 1;
303			args_info->refsele_arg = gengetopt_strdup (optarg);
304			break;
305			}
306	tim	369
307	tim	544	/* molecule name. */
308			else if (strcmp (long_options[option_index].name, "molname") == 0)
309			{
310			if (args_info->molname_given)
311			{
312			fprintf (stderr, "%s: `--molname' option given more than once\n", CMDLINE_PARSER_PACKAGE);
313			clear_args ();
314			exit (EXIT_FAILURE);
315			}
316			args_info->molname_given = 1;
317			args_info->molname_arg = gengetopt_strdup (optarg);
318			break;
319			}
320
321			/* begin interanl index. */
322			else if (strcmp (long_options[option_index].name, "begin") == 0)
323			{
324			if (args_info->begin_given)
325			{
326			fprintf (stderr, "%s: `--begin' option given more than once\n", CMDLINE_PARSER_PACKAGE);
327			clear_args ();
328			exit (EXIT_FAILURE);
329			}
330			args_info->begin_given = 1;
331			args_info->begin_arg = strtol (optarg,&stop_char,0);
332			break;
333			}
334
335			/* end internal index. */
336			else if (strcmp (long_options[option_index].name, "end") == 0)
337			{
338			if (args_info->end_given)
339			{
340			fprintf (stderr, "%s: `--end' option given more than once\n", CMDLINE_PARSER_PACKAGE);
341			clear_args ();
342			exit (EXIT_FAILURE);
343			}
344			args_info->end_given = 1;
345			args_info->end_arg = strtol (optarg,&stop_char,0);
346			break;
347			}
348
349	tim	310	/* g(r). */
350			else if (strcmp (long_options[option_index].name, "gofr") == 0)
351	tim	543	{
352			if (args_info->gofr_given)
353			{
354			fprintf (stderr, "%s: `--gofr' option given more than once\n", CMDLINE_PARSER_PACKAGE);
355			clear_args ();
356			exit (EXIT_FAILURE);
357			}
358			args_info->gofr_given = 1; staticProps_group_counter += 1;
359	tim	310
360	tim	543	break;
361			}
362	tim	310
363			/* g(r, cos(theta)). */
364			else if (strcmp (long_options[option_index].name, "r_theta") == 0)
365	tim	543	{
366			if (args_info->r_theta_given)
367			{
368			fprintf (stderr, "%s: `--r_theta' option given more than once\n", CMDLINE_PARSER_PACKAGE);
369			clear_args ();
370			exit (EXIT_FAILURE);
371			}
372			args_info->r_theta_given = 1; staticProps_group_counter += 1;
373	tim	310
374	tim	543	break;
375			}
376	tim	310
377			/* g(r, cos(omega)). */
378			else if (strcmp (long_options[option_index].name, "r_omega") == 0)
379	tim	543	{
380			if (args_info->r_omega_given)
381			{
382			fprintf (stderr, "%s: `--r_omega' option given more than once\n", CMDLINE_PARSER_PACKAGE);
383			clear_args ();
384			exit (EXIT_FAILURE);
385			}
386			args_info->r_omega_given = 1; staticProps_group_counter += 1;
387	tim	310
388	tim	543	break;
389			}
390	tim	310
391			/* g(cos(theta), cos(omega)). */
392			else if (strcmp (long_options[option_index].name, "theta_omega") == 0)
393	tim	543	{
394			if (args_info->theta_omega_given)
395			{
396			fprintf (stderr, "%s: `--theta_omega' option given more than once\n", CMDLINE_PARSER_PACKAGE);
397			clear_args ();
398			exit (EXIT_FAILURE);
399			}
400			args_info->theta_omega_given = 1; staticProps_group_counter += 1;
401	tim	310
402	tim	543	break;
403			}
404	tim	310
405			/* g(x, y, z). */
406	tim	369	else if (strcmp (long_options[option_index].name, "gxyz") == 0)
407	tim	543	{
408			if (args_info->gxyz_given)
409			{
410			fprintf (stderr, "%s: `--gxyz' option given more than once\n", CMDLINE_PARSER_PACKAGE);
411			clear_args ();
412			exit (EXIT_FAILURE);
413			}
414			args_info->gxyz_given = 1; staticProps_group_counter += 1;
415	tim	310
416	tim	543	break;
417			}
418	tim	310
419	tim	544	/* p2 order parameter (--sele1 and --sele2 must be specified). */
420	tim	543	else if (strcmp (long_options[option_index].name, "p2") == 0)
421			{
422			if (args_info->p2_given)
423			{
424			fprintf (stderr, "%s: `--p2' option given more than once\n", CMDLINE_PARSER_PACKAGE);
425			clear_args ();
426			exit (EXIT_FAILURE);
427			}
428			args_info->p2_given = 1; staticProps_group_counter += 1;
429
430			break;
431			}
432
433	tim	544	/* scd order parameter(either --sele1, --sele2, --sele3 are specified or --molname, --begin, --end are specified). */
434			else if (strcmp (long_options[option_index].name, "scd") == 0)
435			{
436			if (args_info->scd_given)
437			{
438			fprintf (stderr, "%s: `--scd' option given more than once\n", CMDLINE_PARSER_PACKAGE);
439			clear_args ();
440			exit (EXIT_FAILURE);
441			}
442			args_info->scd_given = 1; staticProps_group_counter += 1;
443
444			break;
445			}
446
447	tim	545	/* density plot (--sele1 must be specified). */
448			else if (strcmp (long_options[option_index].name, "density") == 0)
449			{
450			if (args_info->density_given)
451			{
452			fprintf (stderr, "%s: `--density' option given more than once\n", CMDLINE_PARSER_PACKAGE);
453			clear_args ();
454			exit (EXIT_FAILURE);
455			}
456			args_info->density_given = 1; staticProps_group_counter += 1;
457
458			break;
459			}
460
461	tim	840	/* slab density (--sele1 must be specified). */
462			else if (strcmp (long_options[option_index].name, "slab_density") == 0)
463			{
464			if (args_info->slab_density_given)
465			{
466			fprintf (stderr, "%s: `--slab_density' option given more than once\n", CMDLINE_PARSER_PACKAGE);
467			clear_args ();
468			exit (EXIT_FAILURE);
469			}
470			args_info->slab_density_given = 1; staticProps_group_counter += 1;
471
472			break;
473			}
474
475	tim	310
476			case '?': /* Invalid option. */
477			/* `getopt_long' already printed an error message. */
478			exit (EXIT_FAILURE);
479
480			default: /* bug: option not considered. */
481			fprintf (stderr, "%s: option unknown: %c\n", CMDLINE_PARSER_PACKAGE, c);
482			abort ();
483			} /* switch */
484			} /* while */
485
486			if ( staticProps_group_counter != 1)
487			{
488			fprintf (stderr, "%s: %d options of group staticProps were given. One is required\n", CMDLINE_PARSER_PACKAGE, staticProps_group_counter);
489			missing_required_options = 1;
490			}
491
492
493			if (! args_info->input_given)
494			{
495			fprintf (stderr, "%s: '--input' ('-i') option required\n", CMDLINE_PARSER_PACKAGE);
496			missing_required_options = 1;
497			}
498			if ( missing_required_options )
499			exit (EXIT_FAILURE);
500
501			return 0;
502			}