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");
}


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 ;
#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 },
        { 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;
          }
          

        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:	2241
Committed:	Fri May 27 04:41:34 2005 UTC (19 years, 1 month ago) by tim
Content type:	text/plain
File size:	16593 byte(s)
Log Message:	adding SCDOrderParameter 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	}
63
64
65	static char gengetopt_strdup (const char s);
66
67	/* gengetopt_strdup() */
68	/* strdup.c replacement of strdup, which is not standard */
69	char *
70	gengetopt_strdup (const char *s)
71	{
72	char result = (char)malloc(strlen(s) + 1);
73	if (result == (char*)0)
74	return (char*)0;
75	strcpy(result, s);
76	return result;
77	}
78
79	int
80	cmdline_parser (int argc, char * const argv, struct gengetopt_args_info args_info)
81	{
82	int c; /* Character of the parsed option. */
83	int missing_required_options = 0;
84	int staticProps_group_counter = 0;
85
86
87	args_info->help_given = 0 ;
88	args_info->version_given = 0 ;
89	args_info->input_given = 0 ;
90	args_info->output_given = 0 ;
91	args_info->step_given = 0 ;
92	args_info->nrbins_given = 0 ;
93	args_info->nanglebins_given = 0 ;
94	args_info->length_given = 0 ;
95	args_info->sele1_given = 0 ;
96	args_info->sele2_given = 0 ;
97	args_info->sele3_given = 0 ;
98	args_info->refsele_given = 0 ;
99	args_info->molname_given = 0 ;
100	args_info->begin_given = 0 ;
101	args_info->end_given = 0 ;
102	args_info->gofr_given = 0 ;
103	args_info->r_theta_given = 0 ;
104	args_info->r_omega_given = 0 ;
105	args_info->theta_omega_given = 0 ;
106	args_info->gxyz_given = 0 ;
107	args_info->p2_given = 0 ;
108	args_info->scd_given = 0 ;
109	#define clear_args() { \
110	args_info->input_arg = NULL; \
111	args_info->output_arg = NULL; \
112	args_info->step_arg = 1 ;\
113	args_info->nrbins_arg = 100 ;\
114	args_info->nanglebins_arg = 50 ;\
115	args_info->sele1_arg = NULL; \
116	args_info->sele2_arg = NULL; \
117	args_info->sele3_arg = NULL; \
118	args_info->refsele_arg = NULL; \
119	args_info->molname_arg = NULL; \
120	}
121
122	clear_args();
123
124	optarg = 0;
125	optind = 1;
126	opterr = 1;
127	optopt = '?';
128
129	while (1)
130	{
131	int option_index = 0;
132	char *stop_char;
133
134	static struct option long_options[] = {
135	{ "help", 0, NULL, 'h' },
136	{ "version", 0, NULL, 'V' },
137	{ "input", 1, NULL, 'i' },
138	{ "output", 1, NULL, 'o' },
139	{ "step", 1, NULL, 'n' },
140	{ "nrbins", 1, NULL, 'r' },
141	{ "nanglebins", 1, NULL, 'a' },
142	{ "length", 1, NULL, 'l' },
143	{ "sele1", 1, NULL, 0 },
144	{ "sele2", 1, NULL, 0 },
145	{ "sele3", 1, NULL, 0 },
146	{ "refsele", 1, NULL, 0 },
147	{ "molname", 1, NULL, 0 },
148	{ "begin", 1, NULL, 0 },
149	{ "end", 1, NULL, 0 },
150	{ "gofr", 0, NULL, 0 },
151	{ "r_theta", 0, NULL, 0 },
152	{ "r_omega", 0, NULL, 0 },
153	{ "theta_omega", 0, NULL, 0 },
154	{ "gxyz", 0, NULL, 0 },
155	{ "p2", 0, NULL, 0 },
156	{ "scd", 0, NULL, 0 },
157	{ NULL, 0, NULL, 0 }
158	};
159
160	stop_char = 0;
161	c = getopt_long (argc, argv, "hVi:o:n:r:a:l:", long_options, &option_index);
162
163	if (c == -1) break; /* Exit from `while (1)' loop. */
164
165	switch (c)
166	{
167	case 'h': /* Print help and exit. */
168	clear_args ();
169	cmdline_parser_print_help ();
170	exit (EXIT_SUCCESS);
171
172	case 'V': /* Print version and exit. */
173	clear_args ();
174	cmdline_parser_print_version ();
175	exit (EXIT_SUCCESS);
176
177	case 'i': /* input dump file. */
178	if (args_info->input_given)
179	{
180	fprintf (stderr, "%s: `--input' (`-i') option given more than once\n", CMDLINE_PARSER_PACKAGE);
181	clear_args ();
182	exit (EXIT_FAILURE);
183	}
184	args_info->input_given = 1;
185	args_info->input_arg = gengetopt_strdup (optarg);
186	break;
187
188	case 'o': /* output file name. */
189	if (args_info->output_given)
190	{
191	fprintf (stderr, "%s: `--output' (`-o') option given more than once\n", CMDLINE_PARSER_PACKAGE);
192	clear_args ();
193	exit (EXIT_FAILURE);
194	}
195	args_info->output_given = 1;
196	args_info->output_arg = gengetopt_strdup (optarg);
197	break;
198
199	case 'n': /* process every n frame. */
200	if (args_info->step_given)
201	{
202	fprintf (stderr, "%s: `--step' (`-n') option given more than once\n", CMDLINE_PARSER_PACKAGE);
203	clear_args ();
204	exit (EXIT_FAILURE);
205	}
206	args_info->step_given = 1;
207	args_info->step_arg = strtol (optarg,&stop_char,0);
208	break;
209
210	case 'r': /* number of bins for distance. */
211	if (args_info->nrbins_given)
212	{
213	fprintf (stderr, "%s: `--nrbins' (`-r') option given more than once\n", CMDLINE_PARSER_PACKAGE);
214	clear_args ();
215	exit (EXIT_FAILURE);
216	}
217	args_info->nrbins_given = 1;
218	args_info->nrbins_arg = strtol (optarg,&stop_char,0);
219	break;
220
221	case 'a': /* number of bins for cos(angle). */
222	if (args_info->nanglebins_given)
223	{
224	fprintf (stderr, "%s: `--nanglebins' (`-a') option given more than once\n", CMDLINE_PARSER_PACKAGE);
225	clear_args ();
226	exit (EXIT_FAILURE);
227	}
228	args_info->nanglebins_given = 1;
229	args_info->nanglebins_arg = strtol (optarg,&stop_char,0);
230	break;
231
232	case 'l': /* maximum length (Defaults to 1/2 smallest length of first frame). */
233	if (args_info->length_given)
234	{
235	fprintf (stderr, "%s: `--length' (`-l') option given more than once\n", CMDLINE_PARSER_PACKAGE);
236	clear_args ();
237	exit (EXIT_FAILURE);
238	}
239	args_info->length_given = 1;
240	args_info->length_arg = strtod (optarg, NULL);
241	break;
242
243
244	case 0: /* Long option with no short option */
245	/* select the first stuntdouble set. */
246	if (strcmp (long_options[option_index].name, "sele1") == 0)
247	{
248	if (args_info->sele1_given)
249	{
250	fprintf (stderr, "%s: `--sele1' option given more than once\n", CMDLINE_PARSER_PACKAGE);
251	clear_args ();
252	exit (EXIT_FAILURE);
253	}
254	args_info->sele1_given = 1;
255	args_info->sele1_arg = gengetopt_strdup (optarg);
256	break;
257	}
258
259	/* select the second stuntdouble set. */
260	else if (strcmp (long_options[option_index].name, "sele2") == 0)
261	{
262	if (args_info->sele2_given)
263	{
264	fprintf (stderr, "%s: `--sele2' option given more than once\n", CMDLINE_PARSER_PACKAGE);
265	clear_args ();
266	exit (EXIT_FAILURE);
267	}
268	args_info->sele2_given = 1;
269	args_info->sele2_arg = gengetopt_strdup (optarg);
270	break;
271	}
272
273	/* select the third stuntdouble set. */
274	else if (strcmp (long_options[option_index].name, "sele3") == 0)
275	{
276	if (args_info->sele3_given)
277	{
278	fprintf (stderr, "%s: `--sele3' option given more than once\n", CMDLINE_PARSER_PACKAGE);
279	clear_args ();
280	exit (EXIT_FAILURE);
281	}
282	args_info->sele3_given = 1;
283	args_info->sele3_arg = gengetopt_strdup (optarg);
284	break;
285	}
286
287	/* select reference (use and only use with --gxyz). */
288	else if (strcmp (long_options[option_index].name, "refsele") == 0)
289	{
290	if (args_info->refsele_given)
291	{
292	fprintf (stderr, "%s: `--refsele' option given more than once\n", CMDLINE_PARSER_PACKAGE);
293	clear_args ();
294	exit (EXIT_FAILURE);
295	}
296	args_info->refsele_given = 1;
297	args_info->refsele_arg = gengetopt_strdup (optarg);
298	break;
299	}
300
301	/* molecule name. */
302	else if (strcmp (long_options[option_index].name, "molname") == 0)
303	{
304	if (args_info->molname_given)
305	{
306	fprintf (stderr, "%s: `--molname' option given more than once\n", CMDLINE_PARSER_PACKAGE);
307	clear_args ();
308	exit (EXIT_FAILURE);
309	}
310	args_info->molname_given = 1;
311	args_info->molname_arg = gengetopt_strdup (optarg);
312	break;
313	}
314
315	/* begin interanl index. */
316	else if (strcmp (long_options[option_index].name, "begin") == 0)
317	{
318	if (args_info->begin_given)
319	{
320	fprintf (stderr, "%s: `--begin' option given more than once\n", CMDLINE_PARSER_PACKAGE);
321	clear_args ();
322	exit (EXIT_FAILURE);
323	}
324	args_info->begin_given = 1;
325	args_info->begin_arg = strtol (optarg,&stop_char,0);
326	break;
327	}
328
329	/* end internal index. */
330	else if (strcmp (long_options[option_index].name, "end") == 0)
331	{
332	if (args_info->end_given)
333	{
334	fprintf (stderr, "%s: `--end' option given more than once\n", CMDLINE_PARSER_PACKAGE);
335	clear_args ();
336	exit (EXIT_FAILURE);
337	}
338	args_info->end_given = 1;
339	args_info->end_arg = strtol (optarg,&stop_char,0);
340	break;
341	}
342
343	/* g(r). */
344	else if (strcmp (long_options[option_index].name, "gofr") == 0)
345	{
346	if (args_info->gofr_given)
347	{
348	fprintf (stderr, "%s: `--gofr' option given more than once\n", CMDLINE_PARSER_PACKAGE);
349	clear_args ();
350	exit (EXIT_FAILURE);
351	}
352	args_info->gofr_given = 1; staticProps_group_counter += 1;
353
354	break;
355	}
356
357	/* g(r, cos(theta)). */
358	else if (strcmp (long_options[option_index].name, "r_theta") == 0)
359	{
360	if (args_info->r_theta_given)
361	{
362	fprintf (stderr, "%s: `--r_theta' option given more than once\n", CMDLINE_PARSER_PACKAGE);
363	clear_args ();
364	exit (EXIT_FAILURE);
365	}
366	args_info->r_theta_given = 1; staticProps_group_counter += 1;
367
368	break;
369	}
370
371	/* g(r, cos(omega)). */
372	else if (strcmp (long_options[option_index].name, "r_omega") == 0)
373	{
374	if (args_info->r_omega_given)
375	{
376	fprintf (stderr, "%s: `--r_omega' option given more than once\n", CMDLINE_PARSER_PACKAGE);
377	clear_args ();
378	exit (EXIT_FAILURE);
379	}
380	args_info->r_omega_given = 1; staticProps_group_counter += 1;
381
382	break;
383	}
384
385	/* g(cos(theta), cos(omega)). */
386	else if (strcmp (long_options[option_index].name, "theta_omega") == 0)
387	{
388	if (args_info->theta_omega_given)
389	{
390	fprintf (stderr, "%s: `--theta_omega' option given more than once\n", CMDLINE_PARSER_PACKAGE);
391	clear_args ();
392	exit (EXIT_FAILURE);
393	}
394	args_info->theta_omega_given = 1; staticProps_group_counter += 1;
395
396	break;
397	}
398
399	/* g(x, y, z). */
400	else if (strcmp (long_options[option_index].name, "gxyz") == 0)
401	{
402	if (args_info->gxyz_given)
403	{
404	fprintf (stderr, "%s: `--gxyz' option given more than once\n", CMDLINE_PARSER_PACKAGE);
405	clear_args ();
406	exit (EXIT_FAILURE);
407	}
408	args_info->gxyz_given = 1; staticProps_group_counter += 1;
409
410	break;
411	}
412
413	/* p2 order parameter (--sele1 and --sele2 must be specified). */
414	else if (strcmp (long_options[option_index].name, "p2") == 0)
415	{
416	if (args_info->p2_given)
417	{
418	fprintf (stderr, "%s: `--p2' option given more than once\n", CMDLINE_PARSER_PACKAGE);
419	clear_args ();
420	exit (EXIT_FAILURE);
421	}
422	args_info->p2_given = 1; staticProps_group_counter += 1;
423
424	break;
425	}
426
427	/* scd order parameter(either --sele1, --sele2, --sele3 are specified or --molname, --begin, --end are specified). */
428	else if (strcmp (long_options[option_index].name, "scd") == 0)
429	{
430	if (args_info->scd_given)
431	{
432	fprintf (stderr, "%s: `--scd' option given more than once\n", CMDLINE_PARSER_PACKAGE);
433	clear_args ();
434	exit (EXIT_FAILURE);
435	}
436	args_info->scd_given = 1; staticProps_group_counter += 1;
437
438	break;
439	}
440
441
442	case '?': /* Invalid option. */
443	/* `getopt_long' already printed an error message. */
444	exit (EXIT_FAILURE);
445
446	default: /* bug: option not considered. */
447	fprintf (stderr, "%s: option unknown: %c\n", CMDLINE_PARSER_PACKAGE, c);
448	abort ();
449	} /* switch */
450	} /* while */
451
452	if ( staticProps_group_counter != 1)
453	{
454	fprintf (stderr, "%s: %d options of group staticProps were given. One is required\n", CMDLINE_PARSER_PACKAGE, staticProps_group_counter);
455	missing_required_options = 1;
456	}
457
458
459	if (! args_info->input_given)
460	{
461	fprintf (stderr, "%s: '--input' ('-i') option required\n", CMDLINE_PARSER_PACKAGE);
462	missing_required_options = 1;
463	}
464	if ( missing_required_options )
465	exit (EXIT_FAILURE);
466
467	return 0;
468	}