applications/dump2Xyz/Dump2XYZCmd.c

/*
  File autogenerated by gengetopt version 2.11
  generated with the following command:
  /home/maul/gezelter/tim/program/gengetopt-2.11/src/gengetopt -F Dump2XYZCmd 

  The developers of gengetopt consider the fixed text that goes in all
  gengetopt output files to be in the public domain:
  we make no copyright claims on it.
*/


#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 "Dump2XYZCmd.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, --frame=INT                    print every n frame  (default=`1')\n");
  printf("  -w, --water                        skip the the waters  (default=off)\n");
  printf("  -m, --periodicBox                  map to the periodic box  (default=off)\n");
  printf("  -z, --zconstraint                  replace the atom types of zconstraint \n                                       molecules  (default=off)\n");
  printf("  -r, --rigidbody                    add a pseudo COM atom to rigidbody  \n                                       (default=off)\n");
  printf("  -t, --watertype                    replace the atom type of water model  \n                                       (default=on)\n");
  printf("  -s, --selection=selection script   general selection syntax\n");
  printf("      --originsele=selection script  select origin\n");
  printf("      --refsele=selection script     select reference\n");
  printf("      --repeatX=INT                  The number of images to repeat in the x \n                                       direction  (default=`0')\n");
  printf("      --repeatY=INT                  The number of images to repeat in the y \n                                       direction  (default=`0')\n");
  printf("      --repeatZ=INT                  The number of images to repeat in the z \n                                       direction  (default=`0')\n");
  printf("      --gb=atomtype                  Replace the Gay-Berne atom with four \n                                       linear atoms\n");
  printf("  -b, --basetype                     Convert to base atom type  (default=off)\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;

  args_info->help_given = 0 ;
  args_info->version_given = 0 ;
  args_info->input_given = 0 ;
  args_info->output_given = 0 ;
  args_info->frame_given = 0 ;
  args_info->water_given = 0 ;
  args_info->periodicBox_given = 0 ;
  args_info->zconstraint_given = 0 ;
  args_info->rigidbody_given = 0 ;
  args_info->watertype_given = 0 ;
  args_info->selection_given = 0 ;
  args_info->originsele_given = 0 ;
  args_info->refsele_given = 0 ;
  args_info->repeatX_given = 0 ;
  args_info->repeatY_given = 0 ;
  args_info->repeatZ_given = 0 ;
  args_info->gb_given = 0 ;
  args_info->basetype_given = 0 ;
#define clear_args() { \
  args_info->input_arg = NULL; \
  args_info->output_arg = NULL; \
  args_info->frame_arg = 1 ;\
  args_info->water_flag = 0;\
  args_info->periodicBox_flag = 0;\
  args_info->zconstraint_flag = 0;\
  args_info->rigidbody_flag = 0;\
  args_info->watertype_flag = 1;\
  args_info->selection_arg = NULL; \
  args_info->originsele_arg = NULL; \
  args_info->refsele_arg = NULL; \
  args_info->repeatX_arg = 0 ;\
  args_info->repeatY_arg = 0 ;\
  args_info->repeatZ_arg = 0 ;\
  args_info->gb_arg = NULL; \
  args_info->basetype_flag = 0;\
}

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

      stop_char = 0;
      c = getopt_long (argc, argv, "hVi:o:n:wmzrts:b", long_options, &option_index);

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

      switch (c)
        {
        case 'h':       /* Print help and exit.  */
          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':       /* print every n frame.  */
          if (args_info->frame_given)
            {
              fprintf (stderr, "%s: `--frame' (`-n') option given more than once\n", CMDLINE_PARSER_PACKAGE);
              clear_args ();
              exit (EXIT_FAILURE);
            }
          args_info->frame_given = 1;
          args_info->frame_arg = strtol (optarg,&stop_char,0);
          break;

        case 'w':       /* skip the the waters.  */
          if (args_info->water_given)
            {
              fprintf (stderr, "%s: `--water' (`-w') option given more than once\n", CMDLINE_PARSER_PACKAGE);
              clear_args ();
              exit (EXIT_FAILURE);
            }
          args_info->water_given = 1;
          args_info->water_flag = !(args_info->water_flag);
          break;

        case 'm':       /* map to the periodic box.  */
          if (args_info->periodicBox_given)
            {
              fprintf (stderr, "%s: `--periodicBox' (`-m') option given more than once\n", CMDLINE_PARSER_PACKAGE);
              clear_args ();
              exit (EXIT_FAILURE);
            }
          args_info->periodicBox_given = 1;
          args_info->periodicBox_flag = !(args_info->periodicBox_flag);
          break;

        case 'z':       /* replace the atom types of zconstraint molecules.  */
          if (args_info->zconstraint_given)
            {
              fprintf (stderr, "%s: `--zconstraint' (`-z') option given more than once\n", CMDLINE_PARSER_PACKAGE);
              clear_args ();
              exit (EXIT_FAILURE);
            }
          args_info->zconstraint_given = 1;
          args_info->zconstraint_flag = !(args_info->zconstraint_flag);
          break;

        case 'r':       /* add a pseudo COM atom to rigidbody.  */
          if (args_info->rigidbody_given)
            {
              fprintf (stderr, "%s: `--rigidbody' (`-r') option given more than once\n", CMDLINE_PARSER_PACKAGE);
              clear_args ();
              exit (EXIT_FAILURE);
            }
          args_info->rigidbody_given = 1;
          args_info->rigidbody_flag = !(args_info->rigidbody_flag);
          break;

        case 't':       /* replace the atom type of water model.  */
          if (args_info->watertype_given)
            {
              fprintf (stderr, "%s: `--watertype' (`-t') option given more than once\n", CMDLINE_PARSER_PACKAGE);
              clear_args ();
              exit (EXIT_FAILURE);
            }
          args_info->watertype_given = 1;
          args_info->watertype_flag = !(args_info->watertype_flag);
          break;

        case 's':       /* general selection syntax.  */
          if (args_info->selection_given)
            {
              fprintf (stderr, "%s: `--selection' (`-s') option given more than once\n", CMDLINE_PARSER_PACKAGE);
              clear_args ();
              exit (EXIT_FAILURE);
            }
          args_info->selection_given = 1;
          args_info->selection_arg = gengetopt_strdup (optarg);
          break;

        case 'b':       /* Convert to base atom type.  */
          if (args_info->basetype_given)
            {
              fprintf (stderr, "%s: `--basetype' (`-b') option given more than once\n", CMDLINE_PARSER_PACKAGE);
              clear_args ();
              exit (EXIT_FAILURE);
            }
          args_info->basetype_given = 1;
          args_info->basetype_flag = !(args_info->basetype_flag);
          break;


        case 0: /* Long option with no short option */
          /* select origin.  */
          if (strcmp (long_options[option_index].name, "originsele") == 0)
          {
            if (args_info->originsele_given)
              {
                fprintf (stderr, "%s: `--originsele' option given more than once\n", CMDLINE_PARSER_PACKAGE);
                clear_args ();
                exit (EXIT_FAILURE);
              }
            args_info->originsele_given = 1;
            args_info->originsele_arg = gengetopt_strdup (optarg);
            break;
          }
          
          /* select reference.  */
          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;
          }
          
          /* The number of images to repeat in the x direction.  */
          else if (strcmp (long_options[option_index].name, "repeatX") == 0)
          {
            if (args_info->repeatX_given)
              {
                fprintf (stderr, "%s: `--repeatX' option given more than once\n", CMDLINE_PARSER_PACKAGE);
                clear_args ();
                exit (EXIT_FAILURE);
              }
            args_info->repeatX_given = 1;
            args_info->repeatX_arg = strtol (optarg,&stop_char,0);
            break;
          }
          
          /* The number of images to repeat in the y direction.  */
          else if (strcmp (long_options[option_index].name, "repeatY") == 0)
          {
            if (args_info->repeatY_given)
              {
                fprintf (stderr, "%s: `--repeatY' option given more than once\n", CMDLINE_PARSER_PACKAGE);
                clear_args ();
                exit (EXIT_FAILURE);
              }
            args_info->repeatY_given = 1;
            args_info->repeatY_arg = strtol (optarg,&stop_char,0);
            break;
          }
          
          /* The number of images to repeat in the z direction.  */
          else if (strcmp (long_options[option_index].name, "repeatZ") == 0)
          {
            if (args_info->repeatZ_given)
              {
                fprintf (stderr, "%s: `--repeatZ' option given more than once\n", CMDLINE_PARSER_PACKAGE);
                clear_args ();
                exit (EXIT_FAILURE);
              }
            args_info->repeatZ_given = 1;
            args_info->repeatZ_arg = strtol (optarg,&stop_char,0);
            break;
          }
          
          /* Replace the Gay-Berne atom with four linear atoms.  */
          else if (strcmp (long_options[option_index].name, "gb") == 0)
          {
            if (args_info->gb_given)
              {
                fprintf (stderr, "%s: `--gb' option given more than once\n", CMDLINE_PARSER_PACKAGE);
                clear_args ();
                exit (EXIT_FAILURE);
              }
            args_info->gb_given = 1;
            args_info->gb_arg = gengetopt_strdup (optarg);
            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 (! 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:	2749
Committed:	Wed May 10 01:44:48 2006 UTC (18 years, 2 months ago) by tim
Content type:	text/plain
File size:	13848 byte(s)
Log Message:	adding a gay-berne switch to Dump2XYZ
#	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 Dump2XYZCmd
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 "Dump2XYZCmd.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, --frame=INT print every n frame (default=`1')\n");
43	printf(" -w, --water skip the the waters (default=off)\n");
44	printf(" -m, --periodicBox map to the periodic box (default=off)\n");
45	printf(" -z, --zconstraint replace the atom types of zconstraint \n molecules (default=off)\n");
46	printf(" -r, --rigidbody add a pseudo COM atom to rigidbody \n (default=off)\n");
47	printf(" -t, --watertype replace the atom type of water model \n (default=on)\n");
48	printf(" -s, --selection=selection script general selection syntax\n");
49	printf(" --originsele=selection script select origin\n");
50	printf(" --refsele=selection script select reference\n");
51	printf(" --repeatX=INT The number of images to repeat in the x \n direction (default=`0')\n");
52	printf(" --repeatY=INT The number of images to repeat in the y \n direction (default=`0')\n");
53	printf(" --repeatZ=INT The number of images to repeat in the z \n direction (default=`0')\n");
54	printf(" --gb=atomtype Replace the Gay-Berne atom with four \n linear atoms\n");
55	printf(" -b, --basetype Convert to base atom type (default=off)\n");
56	}
57
58
59	static char gengetopt_strdup (const char s);
60
61	/* gengetopt_strdup() */
62	/* strdup.c replacement of strdup, which is not standard */
63	char *
64	gengetopt_strdup (const char *s)
65	{
66	char result = (char)malloc(strlen(s) + 1);
67	if (result == (char*)0)
68	return (char*)0;
69	strcpy(result, s);
70	return result;
71	}
72
73	int
74	cmdline_parser (int argc, char * const argv, struct gengetopt_args_info args_info)
75	{
76	int c; /* Character of the parsed option. */
77	int missing_required_options = 0;
78
79	args_info->help_given = 0 ;
80	args_info->version_given = 0 ;
81	args_info->input_given = 0 ;
82	args_info->output_given = 0 ;
83	args_info->frame_given = 0 ;
84	args_info->water_given = 0 ;
85	args_info->periodicBox_given = 0 ;
86	args_info->zconstraint_given = 0 ;
87	args_info->rigidbody_given = 0 ;
88	args_info->watertype_given = 0 ;
89	args_info->selection_given = 0 ;
90	args_info->originsele_given = 0 ;
91	args_info->refsele_given = 0 ;
92	args_info->repeatX_given = 0 ;
93	args_info->repeatY_given = 0 ;
94	args_info->repeatZ_given = 0 ;
95	args_info->gb_given = 0 ;
96	args_info->basetype_given = 0 ;
97	#define clear_args() { \
98	args_info->input_arg = NULL; \
99	args_info->output_arg = NULL; \
100	args_info->frame_arg = 1 ;\
101	args_info->water_flag = 0;\
102	args_info->periodicBox_flag = 0;\
103	args_info->zconstraint_flag = 0;\
104	args_info->rigidbody_flag = 0;\
105	args_info->watertype_flag = 1;\
106	args_info->selection_arg = NULL; \
107	args_info->originsele_arg = NULL; \
108	args_info->refsele_arg = NULL; \
109	args_info->repeatX_arg = 0 ;\
110	args_info->repeatY_arg = 0 ;\
111	args_info->repeatZ_arg = 0 ;\
112	args_info->gb_arg = NULL; \
113	args_info->basetype_flag = 0;\
114	}
115
116	clear_args();
117
118	optarg = 0;
119	optind = 1;
120	opterr = 1;
121	optopt = '?';
122
123	while (1)
124	{
125	int option_index = 0;
126	char *stop_char;
127
128	static struct option long_options[] = {
129	{ "help", 0, NULL, 'h' },
130	{ "version", 0, NULL, 'V' },
131	{ "input", 1, NULL, 'i' },
132	{ "output", 1, NULL, 'o' },
133	{ "frame", 1, NULL, 'n' },
134	{ "water", 0, NULL, 'w' },
135	{ "periodicBox", 0, NULL, 'm' },
136	{ "zconstraint", 0, NULL, 'z' },
137	{ "rigidbody", 0, NULL, 'r' },
138	{ "watertype", 0, NULL, 't' },
139	{ "selection", 1, NULL, 's' },
140	{ "originsele", 1, NULL, 0 },
141	{ "refsele", 1, NULL, 0 },
142	{ "repeatX", 1, NULL, 0 },
143	{ "repeatY", 1, NULL, 0 },
144	{ "repeatZ", 1, NULL, 0 },
145	{ "gb", 1, NULL, 0 },
146	{ "basetype", 0, NULL, 'b' },
147	{ NULL, 0, NULL, 0 }
148	};
149
150	stop_char = 0;
151	c = getopt_long (argc, argv, "hVi:o:n:wmzrts:b", long_options, &option_index);
152
153	if (c == -1) break; /* Exit from `while (1)' loop. */
154
155	switch (c)
156	{
157	case 'h': /* Print help and exit. */
158	clear_args ();
159	cmdline_parser_print_help ();
160	exit (EXIT_SUCCESS);
161
162	case 'V': /* Print version and exit. */
163	clear_args ();
164	cmdline_parser_print_version ();
165	exit (EXIT_SUCCESS);
166
167	case 'i': /* input dump file. */
168	if (args_info->input_given)
169	{
170	fprintf (stderr, "%s: `--input' (`-i') option given more than once\n", CMDLINE_PARSER_PACKAGE);
171	clear_args ();
172	exit (EXIT_FAILURE);
173	}
174	args_info->input_given = 1;
175	args_info->input_arg = gengetopt_strdup (optarg);
176	break;
177
178	case 'o': /* output file name. */
179	if (args_info->output_given)
180	{
181	fprintf (stderr, "%s: `--output' (`-o') option given more than once\n", CMDLINE_PARSER_PACKAGE);
182	clear_args ();
183	exit (EXIT_FAILURE);
184	}
185	args_info->output_given = 1;
186	args_info->output_arg = gengetopt_strdup (optarg);
187	break;
188
189	case 'n': /* print every n frame. */
190	if (args_info->frame_given)
191	{
192	fprintf (stderr, "%s: `--frame' (`-n') option given more than once\n", CMDLINE_PARSER_PACKAGE);
193	clear_args ();
194	exit (EXIT_FAILURE);
195	}
196	args_info->frame_given = 1;
197	args_info->frame_arg = strtol (optarg,&stop_char,0);
198	break;
199
200	case 'w': /* skip the the waters. */
201	if (args_info->water_given)
202	{
203	fprintf (stderr, "%s: `--water' (`-w') option given more than once\n", CMDLINE_PARSER_PACKAGE);
204	clear_args ();
205	exit (EXIT_FAILURE);
206	}
207	args_info->water_given = 1;
208	args_info->water_flag = !(args_info->water_flag);
209	break;
210
211	case 'm': /* map to the periodic box. */
212	if (args_info->periodicBox_given)
213	{
214	fprintf (stderr, "%s: `--periodicBox' (`-m') option given more than once\n", CMDLINE_PARSER_PACKAGE);
215	clear_args ();
216	exit (EXIT_FAILURE);
217	}
218	args_info->periodicBox_given = 1;
219	args_info->periodicBox_flag = !(args_info->periodicBox_flag);
220	break;
221
222	case 'z': /* replace the atom types of zconstraint molecules. */
223	if (args_info->zconstraint_given)
224	{
225	fprintf (stderr, "%s: `--zconstraint' (`-z') option given more than once\n", CMDLINE_PARSER_PACKAGE);
226	clear_args ();
227	exit (EXIT_FAILURE);
228	}
229	args_info->zconstraint_given = 1;
230	args_info->zconstraint_flag = !(args_info->zconstraint_flag);
231	break;
232
233	case 'r': /* add a pseudo COM atom to rigidbody. */
234	if (args_info->rigidbody_given)
235	{
236	fprintf (stderr, "%s: `--rigidbody' (`-r') option given more than once\n", CMDLINE_PARSER_PACKAGE);
237	clear_args ();
238	exit (EXIT_FAILURE);
239	}
240	args_info->rigidbody_given = 1;
241	args_info->rigidbody_flag = !(args_info->rigidbody_flag);
242	break;
243
244	case 't': /* replace the atom type of water model. */
245	if (args_info->watertype_given)
246	{
247	fprintf (stderr, "%s: `--watertype' (`-t') option given more than once\n", CMDLINE_PARSER_PACKAGE);
248	clear_args ();
249	exit (EXIT_FAILURE);
250	}
251	args_info->watertype_given = 1;
252	args_info->watertype_flag = !(args_info->watertype_flag);
253	break;
254
255	case 's': /* general selection syntax. */
256	if (args_info->selection_given)
257	{
258	fprintf (stderr, "%s: `--selection' (`-s') option given more than once\n", CMDLINE_PARSER_PACKAGE);
259	clear_args ();
260	exit (EXIT_FAILURE);
261	}
262	args_info->selection_given = 1;
263	args_info->selection_arg = gengetopt_strdup (optarg);
264	break;
265
266	case 'b': /* Convert to base atom type. */
267	if (args_info->basetype_given)
268	{
269	fprintf (stderr, "%s: `--basetype' (`-b') option given more than once\n", CMDLINE_PARSER_PACKAGE);
270	clear_args ();
271	exit (EXIT_FAILURE);
272	}
273	args_info->basetype_given = 1;
274	args_info->basetype_flag = !(args_info->basetype_flag);
275	break;
276
277
278	case 0: /* Long option with no short option */
279	/* select origin. */
280	if (strcmp (long_options[option_index].name, "originsele") == 0)
281	{
282	if (args_info->originsele_given)
283	{
284	fprintf (stderr, "%s: `--originsele' option given more than once\n", CMDLINE_PARSER_PACKAGE);
285	clear_args ();
286	exit (EXIT_FAILURE);
287	}
288	args_info->originsele_given = 1;
289	args_info->originsele_arg = gengetopt_strdup (optarg);
290	break;
291	}
292
293	/* select reference. */
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	/* The number of images to repeat in the x direction. */
308	else if (strcmp (long_options[option_index].name, "repeatX") == 0)
309	{
310	if (args_info->repeatX_given)
311	{
312	fprintf (stderr, "%s: `--repeatX' option given more than once\n", CMDLINE_PARSER_PACKAGE);
313	clear_args ();
314	exit (EXIT_FAILURE);
315	}
316	args_info->repeatX_given = 1;
317	args_info->repeatX_arg = strtol (optarg,&stop_char,0);
318	break;
319	}
320
321	/* The number of images to repeat in the y direction. */
322	else if (strcmp (long_options[option_index].name, "repeatY") == 0)
323	{
324	if (args_info->repeatY_given)
325	{
326	fprintf (stderr, "%s: `--repeatY' option given more than once\n", CMDLINE_PARSER_PACKAGE);
327	clear_args ();
328	exit (EXIT_FAILURE);
329	}
330	args_info->repeatY_given = 1;
331	args_info->repeatY_arg = strtol (optarg,&stop_char,0);
332	break;
333	}
334
335	/* The number of images to repeat in the z direction. */
336	else if (strcmp (long_options[option_index].name, "repeatZ") == 0)
337	{
338	if (args_info->repeatZ_given)
339	{
340	fprintf (stderr, "%s: `--repeatZ' option given more than once\n", CMDLINE_PARSER_PACKAGE);
341	clear_args ();
342	exit (EXIT_FAILURE);
343	}
344	args_info->repeatZ_given = 1;
345	args_info->repeatZ_arg = strtol (optarg,&stop_char,0);
346	break;
347	}
348
349	/* Replace the Gay-Berne atom with four linear atoms. */
350	else if (strcmp (long_options[option_index].name, "gb") == 0)
351	{
352	if (args_info->gb_given)
353	{
354	fprintf (stderr, "%s: `--gb' option given more than once\n", CMDLINE_PARSER_PACKAGE);
355	clear_args ();
356	exit (EXIT_FAILURE);
357	}
358	args_info->gb_given = 1;
359	args_info->gb_arg = gengetopt_strdup (optarg);
360	break;
361	}
362
363
364	case '?': /* Invalid option. */
365	/* `getopt_long' already printed an error message. */
366	exit (EXIT_FAILURE);
367
368	default: /* bug: option not considered. */
369	fprintf (stderr, "%s: option unknown: %c\n", CMDLINE_PARSER_PACKAGE, c);
370	abort ();
371	} /* switch */
372	} /* while */
373
374
375	if (! args_info->input_given)
376	{
377	fprintf (stderr, "%s: '--input' ('-i') option required\n", CMDLINE_PARSER_PACKAGE);
378	missing_required_options = 1;
379	}
380	if ( missing_required_options )
381	exit (EXIT_FAILURE);
382
383	return 0;
384	}