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
#	User	Rev	Content
1	tim	1501	/*
2			File autogenerated by gengetopt version 2.11
3			generated with the following command:
4	tim	2749	/home/maul/gezelter/tim/program/gengetopt-2.11/src/gengetopt -F Dump2XYZCmd
5	tim	1501
6			The developers of gengetopt consider the fixed text that goes in all
7			gengetopt output files to be in the public domain:
8			we make no copyright claims on it.
9			*/
10
11
12			#include <stdio.h>
13			#include <stdlib.h>
14			#include <string.h>
15
16			/* If we use autoconf. */
17			#ifdef HAVE_CONFIG_H
18			#include "config.h"
19			#endif
20
21			#include "getopt.h"
22
23	tim	1975	#include "Dump2XYZCmd.h"
24	tim	1501
25			void
26			cmdline_parser_print_version (void)
27			{
28			printf ("%s %s\n", CMDLINE_PARSER_PACKAGE, CMDLINE_PARSER_VERSION);
29			}
30
31			void
32			cmdline_parser_print_help (void)
33			{
34			cmdline_parser_print_version ();
35			printf("\n"
36	tim	2240	"Usage: %s [OPTIONS]...\n", CMDLINE_PARSER_PACKAGE);
37	tim	1501	printf("\n");
38	tim	2053	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	tim	2099	printf(" -s, --selection=selection script general selection syntax\n");
49	tim	2053	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	tim	2749	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	tim	1501	}
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	tim	1975	args_info->selection_given = 0 ;
90	tim	2053	args_info->originsele_given = 0 ;
91			args_info->refsele_given = 0 ;
92	tim	1501	args_info->repeatX_given = 0 ;
93			args_info->repeatY_given = 0 ;
94			args_info->repeatZ_given = 0 ;
95	tim	2749	args_info->gb_given = 0 ;
96			args_info->basetype_given = 0 ;
97	tim	2240	#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	tim	2749	args_info->gb_arg = NULL; \
113			args_info->basetype_flag = 0;\
114	tim	2240	}
115	tim	1501
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	tim	1975	{ "selection", 1, NULL, 's' },
140	tim	2053	{ "originsele", 1, NULL, 0 },
141			{ "refsele", 1, NULL, 0 },
142	tim	1501	{ "repeatX", 1, NULL, 0 },
143			{ "repeatY", 1, NULL, 0 },
144			{ "repeatZ", 1, NULL, 0 },
145	tim	2749	{ "gb", 1, NULL, 0 },
146			{ "basetype", 0, NULL, 'b' },
147	tim	1501	{ NULL, 0, NULL, 0 }
148			};
149
150			stop_char = 0;
151	tim	2749	c = getopt_long (argc, argv, "hVi:o:n:wmzrts:b", long_options, &option_index);
152	tim	1501
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	tim	2749	case 's': /* general selection syntax. */
256			if (args_info->selection_given)
257	tim	2240	{
258	tim	2749	fprintf (stderr, "%s: `--selection' (`-s') option given more than once\n", CMDLINE_PARSER_PACKAGE);
259	tim	2240	clear_args ();
260			exit (EXIT_FAILURE);
261			}
262	tim	2749	args_info->selection_given = 1;
263			args_info->selection_arg = gengetopt_strdup (optarg);
264	tim	2240	break;
265
266	tim	2749	case 'b': /* Convert to base atom type. */
267			if (args_info->basetype_given)
268	tim	1975	{
269	tim	2749	fprintf (stderr, "%s: `--basetype' (`-b') option given more than once\n", CMDLINE_PARSER_PACKAGE);
270	tim	1975	clear_args ();
271			exit (EXIT_FAILURE);
272			}
273	tim	2749	args_info->basetype_given = 1;
274			args_info->basetype_flag = !(args_info->basetype_flag);
275	tim	1975	break;
276	tim	1501
277	tim	1975
278	tim	1501	case 0: /* Long option with no short option */
279	tim	2053	/* select origin. */
280			if (strcmp (long_options[option_index].name, "originsele") == 0)
281	tim	2240	{
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	tim	2053
293			/* select reference. */
294			else if (strcmp (long_options[option_index].name, "refsele") == 0)
295	tim	2240	{
296			if (args_info->refsele_given)
297			{
298			fprintf (stderr, "%s: `--refsele' option given more than once\n", CMDLINE_PARSER_PACKAGE);
299			clear_args ();
300			exit (EXIT_FAILURE);
301			}
302			args_info->refsele_given = 1;
303			args_info->refsele_arg = gengetopt_strdup (optarg);
304			break;
305			}
306	tim	2053
307	tim	1501	/* The number of images to repeat in the x direction. */
308	tim	2053	else if (strcmp (long_options[option_index].name, "repeatX") == 0)
309	tim	2240	{
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	tim	1501
321			/* The number of images to repeat in the y direction. */
322			else if (strcmp (long_options[option_index].name, "repeatY") == 0)
323	tim	2240	{
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	tim	1501
335			/* The number of images to repeat in the z direction. */
336			else if (strcmp (long_options[option_index].name, "repeatZ") == 0)
337	tim	2240	{
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	tim	1501
349	tim	2749	/* 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	tim	1501
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			}