applications/staticProps/StaticPropsCmd.c

/*
  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:	2539
Committed:	Mon Jan 9 22:14:32 2006 UTC (18 years, 6 months ago) by tim
Content type:	text/plain
File size:	17991 byte(s)
Log Message:	fixing RhoZ
#	Content
1	/*
2	File autogenerated by gengetopt version 2.11
3	generated with the following command:
4	/home/maul/gezelter/tim/program/gengetopt-2.11/src/gengetopt -F StaticPropsCmd
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
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	#include "StaticPropsCmd.h"
24
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	"Usage: %s [OPTIONS]...\n", CMDLINE_PARSER_PACKAGE);
37	printf("\n");
38	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	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	printf(" --refsele=selection script select reference (use and only use with \n --gxyz)\n");
50	printf(" --molname=STRING molecule name\n");
51	printf(" --begin=INT begin interanl index\n");
52	printf(" --end=INT end internal index\n");
53	printf("\n");
54	printf(" Group: staticProps an option of this group is required\n");
55	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	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	printf(" --density density plot (--sele1 must be specified)\n");
63	printf(" --slab_density slab density (--sele1 must be specified)\n");
64	}
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	args_info->step_given = 0 ;
94	args_info->nrbins_given = 0 ;
95	args_info->nanglebins_given = 0 ;
96	args_info->length_given = 0 ;
97	args_info->sele1_given = 0 ;
98	args_info->sele2_given = 0 ;
99	args_info->sele3_given = 0 ;
100	args_info->refsele_given = 0 ;
101	args_info->molname_given = 0 ;
102	args_info->begin_given = 0 ;
103	args_info->end_given = 0 ;
104	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	args_info->gxyz_given = 0 ;
109	args_info->p2_given = 0 ;
110	args_info->scd_given = 0 ;
111	args_info->density_given = 0 ;
112	args_info->slab_density_given = 0 ;
113	#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	args_info->sele3_arg = NULL; \
122	args_info->refsele_arg = NULL; \
123	args_info->molname_arg = NULL; \
124	}
125
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	{ "step", 1, NULL, 'n' },
144	{ "nrbins", 1, NULL, 'r' },
145	{ "nanglebins", 1, NULL, 'a' },
146	{ "length", 1, NULL, 'l' },
147	{ "sele1", 1, NULL, 0 },
148	{ "sele2", 1, NULL, 0 },
149	{ "sele3", 1, NULL, 0 },
150	{ "refsele", 1, NULL, 0 },
151	{ "molname", 1, NULL, 0 },
152	{ "begin", 1, NULL, 0 },
153	{ "end", 1, NULL, 0 },
154	{ "gofr", 0, NULL, 0 },
155	{ "r_theta", 0, NULL, 0 },
156	{ "r_omega", 0, NULL, 0 },
157	{ "theta_omega", 0, NULL, 0 },
158	{ "gxyz", 0, NULL, 0 },
159	{ "p2", 0, NULL, 0 },
160	{ "scd", 0, NULL, 0 },
161	{ "density", 0, NULL, 0 },
162	{ "slab_density", 0, NULL, 0 },
163	{ NULL, 0, NULL, 0 }
164	};
165
166	stop_char = 0;
167	c = getopt_long (argc, argv, "hVi:o:n:r:a:l:", long_options, &option_index);
168
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	case 'n': /* process every n frame. */
206	if (args_info->step_given)
207	{
208	fprintf (stderr, "%s: `--step' (`-n') option given more than once\n", CMDLINE_PARSER_PACKAGE);
209	clear_args ();
210	exit (EXIT_FAILURE);
211	}
212	args_info->step_given = 1;
213	args_info->step_arg = strtol (optarg,&stop_char,0);
214	break;
215
216	case 'r': /* number of bins for distance. */
217	if (args_info->nrbins_given)
218	{
219	fprintf (stderr, "%s: `--nrbins' (`-r') option given more than once\n", CMDLINE_PARSER_PACKAGE);
220	clear_args ();
221	exit (EXIT_FAILURE);
222	}
223	args_info->nrbins_given = 1;
224	args_info->nrbins_arg = strtol (optarg,&stop_char,0);
225	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	case 'l': /* maximum length (Defaults to 1/2 smallest length of first frame). */
239	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	/* select the first stuntdouble set. */
252	if (strcmp (long_options[option_index].name, "sele1") == 0)
253	{
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
265	/* select the second stuntdouble set. */
266	else if (strcmp (long_options[option_index].name, "sele2") == 0)
267	{
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
279	/* 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	/* select reference (use and only use with --gxyz). */
294	else if (strcmp (long_options[option_index].name, "refsele") == 0)
295	{
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
307	/* 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	/* g(r). */
350	else if (strcmp (long_options[option_index].name, "gofr") == 0)
351	{
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
360	break;
361	}
362
363	/* g(r, cos(theta)). */
364	else if (strcmp (long_options[option_index].name, "r_theta") == 0)
365	{
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
374	break;
375	}
376
377	/* g(r, cos(omega)). */
378	else if (strcmp (long_options[option_index].name, "r_omega") == 0)
379	{
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
388	break;
389	}
390
391	/* g(cos(theta), cos(omega)). */
392	else if (strcmp (long_options[option_index].name, "theta_omega") == 0)
393	{
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
402	break;
403	}
404
405	/* g(x, y, z). */
406	else if (strcmp (long_options[option_index].name, "gxyz") == 0)
407	{
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
416	break;
417	}
418
419	/* p2 order parameter (--sele1 and --sele2 must be specified). */
420	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	/* 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	/* 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	/* 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
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	}