applications/staticProps/StaticPropsCmd.c

/*
  File autogenerated by gengetopt version 2.11
  generated with the following command:
  /home/maul/gezelter/tim/bin/gengetopt -i StaticProps.ggo -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");
}


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 ;
#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 },
        { 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;
          }
          

        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:	545
Committed:	Fri May 27 21:11:24 2005 UTC (20 years, 5 months ago) by tim
Content type:	text/plain
File size:	17275 byte(s)
Log Message:	adding DensityPlot into StaticProps
#	Content
1	/*
2	File autogenerated by gengetopt version 2.11
3	generated with the following command:
4	/home/maul/gezelter/tim/bin/gengetopt -i StaticProps.ggo -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	}
64
65
66	static char gengetopt_strdup (const char s);
67
68	/* gengetopt_strdup() */
69	/* strdup.c replacement of strdup, which is not standard */
70	char *
71	gengetopt_strdup (const char *s)
72	{
73	char result = (char)malloc(strlen(s) + 1);
74	if (result == (char*)0)
75	return (char*)0;
76	strcpy(result, s);
77	return result;
78	}
79
80	int
81	cmdline_parser (int argc, char * const argv, struct gengetopt_args_info args_info)
82	{
83	int c; /* Character of the parsed option. */
84	int missing_required_options = 0;
85	int staticProps_group_counter = 0;
86
87
88	args_info->help_given = 0 ;
89	args_info->version_given = 0 ;
90	args_info->input_given = 0 ;
91	args_info->output_given = 0 ;
92	args_info->step_given = 0 ;
93	args_info->nrbins_given = 0 ;
94	args_info->nanglebins_given = 0 ;
95	args_info->length_given = 0 ;
96	args_info->sele1_given = 0 ;
97	args_info->sele2_given = 0 ;
98	args_info->sele3_given = 0 ;
99	args_info->refsele_given = 0 ;
100	args_info->molname_given = 0 ;
101	args_info->begin_given = 0 ;
102	args_info->end_given = 0 ;
103	args_info->gofr_given = 0 ;
104	args_info->r_theta_given = 0 ;
105	args_info->r_omega_given = 0 ;
106	args_info->theta_omega_given = 0 ;
107	args_info->gxyz_given = 0 ;
108	args_info->p2_given = 0 ;
109	args_info->scd_given = 0 ;
110	args_info->density_given = 0 ;
111	#define clear_args() { \
112	args_info->input_arg = NULL; \
113	args_info->output_arg = NULL; \
114	args_info->step_arg = 1 ;\
115	args_info->nrbins_arg = 100 ;\
116	args_info->nanglebins_arg = 50 ;\
117	args_info->sele1_arg = NULL; \
118	args_info->sele2_arg = NULL; \
119	args_info->sele3_arg = NULL; \
120	args_info->refsele_arg = NULL; \
121	args_info->molname_arg = NULL; \
122	}
123
124	clear_args();
125
126	optarg = 0;
127	optind = 1;
128	opterr = 1;
129	optopt = '?';
130
131	while (1)
132	{
133	int option_index = 0;
134	char *stop_char;
135
136	static struct option long_options[] = {
137	{ "help", 0, NULL, 'h' },
138	{ "version", 0, NULL, 'V' },
139	{ "input", 1, NULL, 'i' },
140	{ "output", 1, NULL, 'o' },
141	{ "step", 1, NULL, 'n' },
142	{ "nrbins", 1, NULL, 'r' },
143	{ "nanglebins", 1, NULL, 'a' },
144	{ "length", 1, NULL, 'l' },
145	{ "sele1", 1, NULL, 0 },
146	{ "sele2", 1, NULL, 0 },
147	{ "sele3", 1, NULL, 0 },
148	{ "refsele", 1, NULL, 0 },
149	{ "molname", 1, NULL, 0 },
150	{ "begin", 1, NULL, 0 },
151	{ "end", 1, NULL, 0 },
152	{ "gofr", 0, NULL, 0 },
153	{ "r_theta", 0, NULL, 0 },
154	{ "r_omega", 0, NULL, 0 },
155	{ "theta_omega", 0, NULL, 0 },
156	{ "gxyz", 0, NULL, 0 },
157	{ "p2", 0, NULL, 0 },
158	{ "scd", 0, NULL, 0 },
159	{ "density", 0, NULL, 0 },
160	{ NULL, 0, NULL, 0 }
161	};
162
163	stop_char = 0;
164	c = getopt_long (argc, argv, "hVi:o:n:r:a:l:", long_options, &option_index);
165
166	if (c == -1) break; /* Exit from `while (1)' loop. */
167
168	switch (c)
169	{
170	case 'h': /* Print help and exit. */
171	clear_args ();
172	cmdline_parser_print_help ();
173	exit (EXIT_SUCCESS);
174
175	case 'V': /* Print version and exit. */
176	clear_args ();
177	cmdline_parser_print_version ();
178	exit (EXIT_SUCCESS);
179
180	case 'i': /* input dump file. */
181	if (args_info->input_given)
182	{
183	fprintf (stderr, "%s: `--input' (`-i') option given more than once\n", CMDLINE_PARSER_PACKAGE);
184	clear_args ();
185	exit (EXIT_FAILURE);
186	}
187	args_info->input_given = 1;
188	args_info->input_arg = gengetopt_strdup (optarg);
189	break;
190
191	case 'o': /* output file name. */
192	if (args_info->output_given)
193	{
194	fprintf (stderr, "%s: `--output' (`-o') option given more than once\n", CMDLINE_PARSER_PACKAGE);
195	clear_args ();
196	exit (EXIT_FAILURE);
197	}
198	args_info->output_given = 1;
199	args_info->output_arg = gengetopt_strdup (optarg);
200	break;
201
202	case 'n': /* process every n frame. */
203	if (args_info->step_given)
204	{
205	fprintf (stderr, "%s: `--step' (`-n') option given more than once\n", CMDLINE_PARSER_PACKAGE);
206	clear_args ();
207	exit (EXIT_FAILURE);
208	}
209	args_info->step_given = 1;
210	args_info->step_arg = strtol (optarg,&stop_char,0);
211	break;
212
213	case 'r': /* number of bins for distance. */
214	if (args_info->nrbins_given)
215	{
216	fprintf (stderr, "%s: `--nrbins' (`-r') option given more than once\n", CMDLINE_PARSER_PACKAGE);
217	clear_args ();
218	exit (EXIT_FAILURE);
219	}
220	args_info->nrbins_given = 1;
221	args_info->nrbins_arg = strtol (optarg,&stop_char,0);
222	break;
223
224	case 'a': /* number of bins for cos(angle). */
225	if (args_info->nanglebins_given)
226	{
227	fprintf (stderr, "%s: `--nanglebins' (`-a') option given more than once\n", CMDLINE_PARSER_PACKAGE);
228	clear_args ();
229	exit (EXIT_FAILURE);
230	}
231	args_info->nanglebins_given = 1;
232	args_info->nanglebins_arg = strtol (optarg,&stop_char,0);
233	break;
234
235	case 'l': /* maximum length (Defaults to 1/2 smallest length of first frame). */
236	if (args_info->length_given)
237	{
238	fprintf (stderr, "%s: `--length' (`-l') option given more than once\n", CMDLINE_PARSER_PACKAGE);
239	clear_args ();
240	exit (EXIT_FAILURE);
241	}
242	args_info->length_given = 1;
243	args_info->length_arg = strtod (optarg, NULL);
244	break;
245
246
247	case 0: /* Long option with no short option */
248	/* select the first stuntdouble set. */
249	if (strcmp (long_options[option_index].name, "sele1") == 0)
250	{
251	if (args_info->sele1_given)
252	{
253	fprintf (stderr, "%s: `--sele1' option given more than once\n", CMDLINE_PARSER_PACKAGE);
254	clear_args ();
255	exit (EXIT_FAILURE);
256	}
257	args_info->sele1_given = 1;
258	args_info->sele1_arg = gengetopt_strdup (optarg);
259	break;
260	}
261
262	/* select the second stuntdouble set. */
263	else if (strcmp (long_options[option_index].name, "sele2") == 0)
264	{
265	if (args_info->sele2_given)
266	{
267	fprintf (stderr, "%s: `--sele2' option given more than once\n", CMDLINE_PARSER_PACKAGE);
268	clear_args ();
269	exit (EXIT_FAILURE);
270	}
271	args_info->sele2_given = 1;
272	args_info->sele2_arg = gengetopt_strdup (optarg);
273	break;
274	}
275
276	/* select the third stuntdouble set. */
277	else if (strcmp (long_options[option_index].name, "sele3") == 0)
278	{
279	if (args_info->sele3_given)
280	{
281	fprintf (stderr, "%s: `--sele3' option given more than once\n", CMDLINE_PARSER_PACKAGE);
282	clear_args ();
283	exit (EXIT_FAILURE);
284	}
285	args_info->sele3_given = 1;
286	args_info->sele3_arg = gengetopt_strdup (optarg);
287	break;
288	}
289
290	/* select reference (use and only use with --gxyz). */
291	else if (strcmp (long_options[option_index].name, "refsele") == 0)
292	{
293	if (args_info->refsele_given)
294	{
295	fprintf (stderr, "%s: `--refsele' option given more than once\n", CMDLINE_PARSER_PACKAGE);
296	clear_args ();
297	exit (EXIT_FAILURE);
298	}
299	args_info->refsele_given = 1;
300	args_info->refsele_arg = gengetopt_strdup (optarg);
301	break;
302	}
303
304	/* molecule name. */
305	else if (strcmp (long_options[option_index].name, "molname") == 0)
306	{
307	if (args_info->molname_given)
308	{
309	fprintf (stderr, "%s: `--molname' option given more than once\n", CMDLINE_PARSER_PACKAGE);
310	clear_args ();
311	exit (EXIT_FAILURE);
312	}
313	args_info->molname_given = 1;
314	args_info->molname_arg = gengetopt_strdup (optarg);
315	break;
316	}
317
318	/* begin interanl index. */
319	else if (strcmp (long_options[option_index].name, "begin") == 0)
320	{
321	if (args_info->begin_given)
322	{
323	fprintf (stderr, "%s: `--begin' option given more than once\n", CMDLINE_PARSER_PACKAGE);
324	clear_args ();
325	exit (EXIT_FAILURE);
326	}
327	args_info->begin_given = 1;
328	args_info->begin_arg = strtol (optarg,&stop_char,0);
329	break;
330	}
331
332	/* end internal index. */
333	else if (strcmp (long_options[option_index].name, "end") == 0)
334	{
335	if (args_info->end_given)
336	{
337	fprintf (stderr, "%s: `--end' option given more than once\n", CMDLINE_PARSER_PACKAGE);
338	clear_args ();
339	exit (EXIT_FAILURE);
340	}
341	args_info->end_given = 1;
342	args_info->end_arg = strtol (optarg,&stop_char,0);
343	break;
344	}
345
346	/* g(r). */
347	else if (strcmp (long_options[option_index].name, "gofr") == 0)
348	{
349	if (args_info->gofr_given)
350	{
351	fprintf (stderr, "%s: `--gofr' option given more than once\n", CMDLINE_PARSER_PACKAGE);
352	clear_args ();
353	exit (EXIT_FAILURE);
354	}
355	args_info->gofr_given = 1; staticProps_group_counter += 1;
356
357	break;
358	}
359
360	/* g(r, cos(theta)). */
361	else if (strcmp (long_options[option_index].name, "r_theta") == 0)
362	{
363	if (args_info->r_theta_given)
364	{
365	fprintf (stderr, "%s: `--r_theta' option given more than once\n", CMDLINE_PARSER_PACKAGE);
366	clear_args ();
367	exit (EXIT_FAILURE);
368	}
369	args_info->r_theta_given = 1; staticProps_group_counter += 1;
370
371	break;
372	}
373
374	/* g(r, cos(omega)). */
375	else if (strcmp (long_options[option_index].name, "r_omega") == 0)
376	{
377	if (args_info->r_omega_given)
378	{
379	fprintf (stderr, "%s: `--r_omega' option given more than once\n", CMDLINE_PARSER_PACKAGE);
380	clear_args ();
381	exit (EXIT_FAILURE);
382	}
383	args_info->r_omega_given = 1; staticProps_group_counter += 1;
384
385	break;
386	}
387
388	/* g(cos(theta), cos(omega)). */
389	else if (strcmp (long_options[option_index].name, "theta_omega") == 0)
390	{
391	if (args_info->theta_omega_given)
392	{
393	fprintf (stderr, "%s: `--theta_omega' option given more than once\n", CMDLINE_PARSER_PACKAGE);
394	clear_args ();
395	exit (EXIT_FAILURE);
396	}
397	args_info->theta_omega_given = 1; staticProps_group_counter += 1;
398
399	break;
400	}
401
402	/* g(x, y, z). */
403	else if (strcmp (long_options[option_index].name, "gxyz") == 0)
404	{
405	if (args_info->gxyz_given)
406	{
407	fprintf (stderr, "%s: `--gxyz' option given more than once\n", CMDLINE_PARSER_PACKAGE);
408	clear_args ();
409	exit (EXIT_FAILURE);
410	}
411	args_info->gxyz_given = 1; staticProps_group_counter += 1;
412
413	break;
414	}
415
416	/* p2 order parameter (--sele1 and --sele2 must be specified). */
417	else if (strcmp (long_options[option_index].name, "p2") == 0)
418	{
419	if (args_info->p2_given)
420	{
421	fprintf (stderr, "%s: `--p2' option given more than once\n", CMDLINE_PARSER_PACKAGE);
422	clear_args ();
423	exit (EXIT_FAILURE);
424	}
425	args_info->p2_given = 1; staticProps_group_counter += 1;
426
427	break;
428	}
429
430	/* scd order parameter(either --sele1, --sele2, --sele3 are specified or --molname, --begin, --end are specified). */
431	else if (strcmp (long_options[option_index].name, "scd") == 0)
432	{
433	if (args_info->scd_given)
434	{
435	fprintf (stderr, "%s: `--scd' option given more than once\n", CMDLINE_PARSER_PACKAGE);
436	clear_args ();
437	exit (EXIT_FAILURE);
438	}
439	args_info->scd_given = 1; staticProps_group_counter += 1;
440
441	break;
442	}
443
444	/* density plot (--sele1 must be specified). */
445	else if (strcmp (long_options[option_index].name, "density") == 0)
446	{
447	if (args_info->density_given)
448	{
449	fprintf (stderr, "%s: `--density' option given more than once\n", CMDLINE_PARSER_PACKAGE);
450	clear_args ();
451	exit (EXIT_FAILURE);
452	}
453	args_info->density_given = 1; staticProps_group_counter += 1;
454
455	break;
456	}
457
458
459	case '?': /* Invalid option. */
460	/* `getopt_long' already printed an error message. */
461	exit (EXIT_FAILURE);
462
463	default: /* bug: option not considered. */
464	fprintf (stderr, "%s: option unknown: %c\n", CMDLINE_PARSER_PACKAGE, c);
465	abort ();
466	} /* switch */
467	} /* while */
468
469	if ( staticProps_group_counter != 1)
470	{
471	fprintf (stderr, "%s: %d options of group staticProps were given. One is required\n", CMDLINE_PARSER_PACKAGE, staticProps_group_counter);
472	missing_required_options = 1;
473	}
474
475
476	if (! args_info->input_given)
477	{
478	fprintf (stderr, "%s: '--input' ('-i') option required\n", CMDLINE_PARSER_PACKAGE);
479	missing_required_options = 1;
480	}
481	if ( missing_required_options )
482	exit (EXIT_FAILURE);
483
484	return 0;
485	}