trunk/SHAPES/shaperCmd.c

/*
  File autogenerated by gengetopt version 2.12.1
  generated with the following command:
  gengetopt --file-name=shaperCmd --unamed-opts=PDBFILE 

  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.
*/

/* If we use autoconf.  */
#ifdef HAVE_CONFIG_H
#include "config.h"
#endif

#include <stdio.h>
#include <stdlib.h>
#include <string.h>

#include "getopt.h"

#include "shaperCmd.h"

static
void clear_given (struct gengetopt_args_info *args_info);
static
void clear_args (struct gengetopt_args_info *args_info);

static int
cmdline_parser_internal (int argc, char * const *argv, struct gengetopt_args_info *args_info, int override, int initialize, int check_required, const char *additional_error);

static char *
gengetopt_strdup (const char *s);

static
void clear_given (struct gengetopt_args_info *args_info)
{
  args_info->help_given = 0 ;
  args_info->version_given = 0 ;
  args_info->bandwidth_given = 0 ;
  args_info->tolerance_given = 0 ;
  args_info->charmm_given = 0 ;
  args_info->amber_given = 0 ;
  args_info->lj_given = 0 ;
  args_info->gaff_given = 0 ;
  args_info->opls_given = 0 ;
  args_info->ForceField_group_counter = 0 ;
}

static
void clear_args (struct gengetopt_args_info *args_info)
{
  args_info->bandwidth_arg = 8 ;
  args_info->tolerance_arg = 0.01 ;
}

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]... [PDBFILE]...\n", CMDLINE_PARSER_PACKAGE);
  printf("\n");
  printf("%s\n","  -h, --help              Print help and exit");
  printf("%s\n","  -V, --version           Print version and exit");
  printf("%s\n","  -b, --bandwidth=INT     The step detail for the potential grids - typically \n                            a power of 2  (default=`8')");
  printf("%s\n","  -t, --tolerance=DOUBLE  The tolerance for recognition of spherical harmonic \n                            terms  (default=`0.01')");
  printf("\n");
  printf(" Group: ForceField A Force Field must be specified\n");
  printf("%s\n","  -c, --charmm            Use CHARMM 27 parameters");
  printf("%s\n","  -a, --amber             Use Amber99 parameters");
  printf("%s\n","  -l, --lj                Use Lennard-Jones parameters");
  printf("%s\n","  -g, --gaff              Use GAFF parameters");
  printf("%s\n","  -o, --opls              Use OPLS/AA parameters");
}

void
cmdline_parser_init (struct gengetopt_args_info *args_info)
{
  clear_given (args_info);
  clear_args (args_info);

  args_info->inputs = NULL;
  args_info->inputs_num = 0;
}

void
cmdline_parser_free (struct gengetopt_args_info *args_info)
{
  
  int i;
  
  for (i = 0; i < args_info->inputs_num; ++i)
    free (args_info->inputs [i]);
  
  if (args_info->inputs_num)
    free (args_info->inputs);
  
  clear_given (args_info);
}


/* gengetopt_strdup() */
/* strdup.c replacement of strdup, which is not standard */
char *
gengetopt_strdup (const char *s)
{
  char *result = NULL;
  if (!s)
    return result;

  result = (char*)malloc(strlen(s) + 1);
  if (result == (char*)0)
    return (char*)0;
  strcpy(result, s);
  return result;
}

static void
reset_group_ForceField(struct gengetopt_args_info *args_info);

static void
reset_group_ForceField(struct gengetopt_args_info *args_info)
{
  if (! args_info->ForceField_group_counter)
    return;
  
  args_info->charmm_given = 0 ;
  args_info->amber_given = 0 ;
  args_info->lj_given = 0 ;
  args_info->gaff_given = 0 ;
  args_info->opls_given = 0 ;

  args_info->ForceField_group_counter = 0;
}

int
cmdline_parser (int argc, char * const *argv, struct gengetopt_args_info *args_info)
{
  return cmdline_parser2 (argc, argv, args_info, 0, 1, 1);
}

int
cmdline_parser2 (int argc, char * const *argv, struct gengetopt_args_info *args_info, int override, int initialize, int check_required)
{
  int result;
  
  result = cmdline_parser_internal (argc, argv, args_info, override, initialize, check_required, NULL);
  
  if (result == EXIT_FAILURE)
    {
      cmdline_parser_free (args_info);
      exit (EXIT_FAILURE);
    }
  
  return result;
}

int
cmdline_parser_internal (int argc, char * const *argv, struct gengetopt_args_info *args_info, int override, int initialize, int check_required, const char *additional_error)
{
  int c;        /* Character of the parsed option.  */
  int error = 0;
  struct gengetopt_args_info local_args_info;

  if (initialize)
    cmdline_parser_init (args_info);

  cmdline_parser_init (&local_args_info);

  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' },
        { "bandwidth",  1, NULL, 'b' },
        { "tolerance",  1, NULL, 't' },
        { "charmm",     0, NULL, 'c' },
        { "amber",      0, NULL, 'a' },
        { "lj", 0, NULL, 'l' },
        { "gaff",       0, NULL, 'g' },
        { "opls",       0, NULL, 'o' },
        { NULL, 0, NULL, 0 }
      };

      stop_char = 0;
      c = getopt_long (argc, argv, "hVb:t:calgo", long_options, &option_index);

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

      switch (c)
        {
        case 'h':       /* Print help and exit.  */
          cmdline_parser_print_help ();
          exit (EXIT_SUCCESS);

        case 'V':       /* Print version and exit.  */
          cmdline_parser_print_version ();
          exit (EXIT_SUCCESS);

        case 'b':       /* The step detail for the potential grids - typically a power of 2.  */
          if (local_args_info.bandwidth_given)
            {
              fprintf (stderr, "%s: `--bandwidth' (`-b') option given more than once%s\n", CMDLINE_PARSER_PACKAGE, (additional_error ? additional_error : ""));
              goto failure;
            }
          if (args_info->bandwidth_given && ! override)
            continue;
          local_args_info.bandwidth_given = 1;
          args_info->bandwidth_given = 1;
          args_info->bandwidth_arg = strtol (optarg,&stop_char,0);
          break;

        case 't':       /* The tolerance for recognition of spherical harmonic terms.  */
          if (local_args_info.tolerance_given)
            {
              fprintf (stderr, "%s: `--tolerance' (`-t') option given more than once%s\n", CMDLINE_PARSER_PACKAGE, (additional_error ? additional_error : ""));
              goto failure;
            }
          if (args_info->tolerance_given && ! override)
            continue;
          local_args_info.tolerance_given = 1;
          args_info->tolerance_given = 1;
          args_info->tolerance_arg = strtod (optarg, NULL);
          break;

        case 'c':       /* Use CHARMM 27 parameters.  */
          if (local_args_info.charmm_given)
            {
              fprintf (stderr, "%s: `--charmm' (`-c') option given more than once%s\n", CMDLINE_PARSER_PACKAGE, (additional_error ? additional_error : ""));
              goto failure;
            }
          if (args_info->charmm_given && ! override)
            continue;
          local_args_info.charmm_given = 1;
          args_info->charmm_given = 1;
          if (args_info->ForceField_group_counter && override)
            reset_group_ForceField (args_info);
          args_info->ForceField_group_counter += 1;
          break;

        case 'a':       /* Use Amber99 parameters.  */
          if (local_args_info.amber_given)
            {
              fprintf (stderr, "%s: `--amber' (`-a') option given more than once%s\n", CMDLINE_PARSER_PACKAGE, (additional_error ? additional_error : ""));
              goto failure;
            }
          if (args_info->amber_given && ! override)
            continue;
          local_args_info.amber_given = 1;
          args_info->amber_given = 1;
          if (args_info->ForceField_group_counter && override)
            reset_group_ForceField (args_info);
          args_info->ForceField_group_counter += 1;
          break;

        case 'l':       /* Use Lennard-Jones parameters.  */
          if (local_args_info.lj_given)
            {
              fprintf (stderr, "%s: `--lj' (`-l') option given more than once%s\n", CMDLINE_PARSER_PACKAGE, (additional_error ? additional_error : ""));
              goto failure;
            }
          if (args_info->lj_given && ! override)
            continue;
          local_args_info.lj_given = 1;
          args_info->lj_given = 1;
          if (args_info->ForceField_group_counter && override)
            reset_group_ForceField (args_info);
          args_info->ForceField_group_counter += 1;
          break;

        case 'g':       /* Use GAFF parameters.  */
          if (local_args_info.gaff_given)
            {
              fprintf (stderr, "%s: `--gaff' (`-g') option given more than once%s\n", CMDLINE_PARSER_PACKAGE, (additional_error ? additional_error : ""));
              goto failure;
            }
          if (args_info->gaff_given && ! override)
            continue;
          local_args_info.gaff_given = 1;
          args_info->gaff_given = 1;
          if (args_info->ForceField_group_counter && override)
            reset_group_ForceField (args_info);
          args_info->ForceField_group_counter += 1;
          break;

        case 'o':       /* Use OPLS/AA parameters.  */
          if (local_args_info.opls_given)
            {
              fprintf (stderr, "%s: `--opls' (`-o') option given more than once%s\n", CMDLINE_PARSER_PACKAGE, (additional_error ? additional_error : ""));
              goto failure;
            }
          if (args_info->opls_given && ! override)
            continue;
          local_args_info.opls_given = 1;
          args_info->opls_given = 1;
          if (args_info->ForceField_group_counter && override)
            reset_group_ForceField (args_info);
          args_info->ForceField_group_counter += 1;
          break;


        case 0: /* Long option with no short option */

        case '?':       /* Invalid option.  */
          /* `getopt_long' already printed an error message.  */
          goto failure;

        default:        /* bug: option not considered.  */
          fprintf (stderr, "%s: option unknown: %c%s\n", CMDLINE_PARSER_PACKAGE, c, (additional_error ? additional_error : ""));
          abort ();
        } /* switch */
    } /* while */

  if ( args_info->ForceField_group_counter != 1)
    {
      fprintf (stderr, "%s: %d options of group ForceField were given. One is required.%s\n", CMDLINE_PARSER_PACKAGE, args_info->ForceField_group_counter, (additional_error ? additional_error : ""));
      error = 1;
    }
  

  if (check_required)
    {
    }

  if ( error )
    return (EXIT_FAILURE);

  if (optind < argc)
    {
      int i = 0 ;
  
      args_info->inputs_num = argc - optind ;
      args_info->inputs = 
        (char **)(malloc ((args_info->inputs_num)*sizeof(char *))) ;
      while (optind < argc)
        args_info->inputs[ i++ ] = gengetopt_strdup (argv[optind++]) ; 
    }
  
  return 0;

failure:
  cmdline_parser_free (&local_args_info);
  return (EXIT_FAILURE);
}
Revision:	1360
Committed:	Tue Jul 20 20:02:15 2004 UTC (19 years, 11 months ago) by gezelter
Content type:	text/plain
File size:	11194 byte(s)
Log Message:	Changes for CGI and for gengetopts --unamed-opt="PDBFILE"
#	User	Rev	Content
1	gezelter	1295	/*
2			File autogenerated by gengetopt version 2.12.1
3			generated with the following command:
4	gezelter	1360	gengetopt --file-name=shaperCmd --unamed-opts=PDBFILE
5	gezelter	1295
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			/* If we use autoconf. */
12			#ifdef HAVE_CONFIG_H
13			#include "config.h"
14			#endif
15
16			#include <stdio.h>
17			#include <stdlib.h>
18			#include <string.h>
19
20			#include "getopt.h"
21
22			#include "shaperCmd.h"
23
24			static
25			void clear_given (struct gengetopt_args_info *args_info);
26			static
27			void clear_args (struct gengetopt_args_info *args_info);
28
29			static int
30			cmdline_parser_internal (int argc, char * const argv, struct gengetopt_args_info args_info, int override, int initialize, int check_required, const char *additional_error);
31
32			static char *
33			gengetopt_strdup (const char *s);
34
35			static
36			void clear_given (struct gengetopt_args_info *args_info)
37			{
38			args_info->help_given = 0 ;
39			args_info->version_given = 0 ;
40			args_info->bandwidth_given = 0 ;
41	chrisfen	1312	args_info->tolerance_given = 0 ;
42	gezelter	1295	args_info->charmm_given = 0 ;
43			args_info->amber_given = 0 ;
44			args_info->lj_given = 0 ;
45			args_info->gaff_given = 0 ;
46			args_info->opls_given = 0 ;
47			args_info->ForceField_group_counter = 0 ;
48			}
49
50			static
51			void clear_args (struct gengetopt_args_info *args_info)
52			{
53			args_info->bandwidth_arg = 8 ;
54	chrisfen	1312	args_info->tolerance_arg = 0.01 ;
55	gezelter	1295	}
56
57			void
58			cmdline_parser_print_version (void)
59			{
60			printf ("%s %s\n", CMDLINE_PARSER_PACKAGE, CMDLINE_PARSER_VERSION);
61			}
62
63			void
64			cmdline_parser_print_help (void)
65			{
66			cmdline_parser_print_version ();
67			printf("\n"
68	gezelter	1360	"Usage: %s [OPTIONS]... [PDBFILE]...\n", CMDLINE_PARSER_PACKAGE);
69	gezelter	1295	printf("\n");
70	chrisfen	1312	printf("%s\n"," -h, --help Print help and exit");
71			printf("%s\n"," -V, --version Print version and exit");
72			printf("%s\n"," -b, --bandwidth=INT The step detail for the potential grids - typically \n a power of 2 (default=`8')");
73			printf("%s\n"," -t, --tolerance=DOUBLE The tolerance for recognition of spherical harmonic \n terms (default=`0.01')");
74	gezelter	1295	printf("\n");
75			printf(" Group: ForceField A Force Field must be specified\n");
76	chrisfen	1312	printf("%s\n"," -c, --charmm Use CHARMM 27 parameters");
77			printf("%s\n"," -a, --amber Use Amber99 parameters");
78			printf("%s\n"," -l, --lj Use Lennard-Jones parameters");
79			printf("%s\n"," -g, --gaff Use GAFF parameters");
80			printf("%s\n"," -o, --opls Use OPLS/AA parameters");
81	gezelter	1295	}
82
83			void
84			cmdline_parser_init (struct gengetopt_args_info *args_info)
85			{
86			clear_given (args_info);
87			clear_args (args_info);
88	gezelter	1360
89			args_info->inputs = NULL;
90			args_info->inputs_num = 0;
91	gezelter	1295	}
92
93			void
94			cmdline_parser_free (struct gengetopt_args_info *args_info)
95			{
96
97	gezelter	1360	int i;
98	gezelter	1295
99	gezelter	1360	for (i = 0; i < args_info->inputs_num; ++i)
100			free (args_info->inputs [i]);
101
102			if (args_info->inputs_num)
103			free (args_info->inputs);
104
105	gezelter	1295	clear_given (args_info);
106			}
107
108
109			/* gengetopt_strdup() */
110			/* strdup.c replacement of strdup, which is not standard */
111			char *
112			gengetopt_strdup (const char *s)
113			{
114			char *result = NULL;
115			if (!s)
116			return result;
117
118			result = (char*)malloc(strlen(s) + 1);
119			if (result == (char*)0)
120			return (char*)0;
121			strcpy(result, s);
122			return result;
123			}
124
125			static void
126			reset_group_ForceField(struct gengetopt_args_info *args_info);
127
128			static void
129			reset_group_ForceField(struct gengetopt_args_info *args_info)
130			{
131			if (! args_info->ForceField_group_counter)
132			return;
133
134			args_info->charmm_given = 0 ;
135			args_info->amber_given = 0 ;
136			args_info->lj_given = 0 ;
137			args_info->gaff_given = 0 ;
138			args_info->opls_given = 0 ;
139
140			args_info->ForceField_group_counter = 0;
141			}
142
143			int
144			cmdline_parser (int argc, char * const argv, struct gengetopt_args_info args_info)
145			{
146			return cmdline_parser2 (argc, argv, args_info, 0, 1, 1);
147			}
148
149			int
150			cmdline_parser2 (int argc, char * const argv, struct gengetopt_args_info args_info, int override, int initialize, int check_required)
151			{
152			int result;
153
154			result = cmdline_parser_internal (argc, argv, args_info, override, initialize, check_required, NULL);
155
156			if (result == EXIT_FAILURE)
157			{
158			cmdline_parser_free (args_info);
159			exit (EXIT_FAILURE);
160			}
161
162			return result;
163			}
164
165			int
166			cmdline_parser_internal (int argc, char * const argv, struct gengetopt_args_info args_info, int override, int initialize, int check_required, const char *additional_error)
167			{
168			int c; /* Character of the parsed option. */
169			int error = 0;
170			struct gengetopt_args_info local_args_info;
171
172			if (initialize)
173			cmdline_parser_init (args_info);
174
175			cmdline_parser_init (&local_args_info);
176
177			optarg = 0;
178			optind = 1;
179			opterr = 1;
180			optopt = '?';
181
182			while (1)
183			{
184			int option_index = 0;
185			char *stop_char;
186
187			static struct option long_options[] = {
188			{ "help", 0, NULL, 'h' },
189			{ "version", 0, NULL, 'V' },
190			{ "bandwidth", 1, NULL, 'b' },
191	chrisfen	1312	{ "tolerance", 1, NULL, 't' },
192	gezelter	1295	{ "charmm", 0, NULL, 'c' },
193			{ "amber", 0, NULL, 'a' },
194			{ "lj", 0, NULL, 'l' },
195			{ "gaff", 0, NULL, 'g' },
196			{ "opls", 0, NULL, 'o' },
197			{ NULL, 0, NULL, 0 }
198			};
199
200			stop_char = 0;
201	gezelter	1360	c = getopt_long (argc, argv, "hVb:t:calgo", long_options, &option_index);
202	gezelter	1295
203			if (c == -1) break; /* Exit from `while (1)' loop. */
204
205			switch (c)
206			{
207			case 'h': /* Print help and exit. */
208			cmdline_parser_print_help ();
209			exit (EXIT_SUCCESS);
210
211			case 'V': /* Print version and exit. */
212			cmdline_parser_print_version ();
213			exit (EXIT_SUCCESS);
214
215			case 'b': /* The step detail for the potential grids - typically a power of 2. */
216			if (local_args_info.bandwidth_given)
217			{
218			fprintf (stderr, "%s: `--bandwidth' (`-b') option given more than once%s\n", CMDLINE_PARSER_PACKAGE, (additional_error ? additional_error : ""));
219			goto failure;
220			}
221			if (args_info->bandwidth_given && ! override)
222			continue;
223			local_args_info.bandwidth_given = 1;
224			args_info->bandwidth_given = 1;
225			args_info->bandwidth_arg = strtol (optarg,&stop_char,0);
226			break;
227
228	chrisfen	1312	case 't': /* The tolerance for recognition of spherical harmonic terms. */
229			if (local_args_info.tolerance_given)
230			{
231			fprintf (stderr, "%s: `--tolerance' (`-t') option given more than once%s\n", CMDLINE_PARSER_PACKAGE, (additional_error ? additional_error : ""));
232			goto failure;
233			}
234			if (args_info->tolerance_given && ! override)
235			continue;
236			local_args_info.tolerance_given = 1;
237			args_info->tolerance_given = 1;
238			args_info->tolerance_arg = strtod (optarg, NULL);
239			break;
240
241	gezelter	1295	case 'c': /* Use CHARMM 27 parameters. */
242			if (local_args_info.charmm_given)
243			{
244			fprintf (stderr, "%s: `--charmm' (`-c') option given more than once%s\n", CMDLINE_PARSER_PACKAGE, (additional_error ? additional_error : ""));
245			goto failure;
246			}
247			if (args_info->charmm_given && ! override)
248			continue;
249			local_args_info.charmm_given = 1;
250			args_info->charmm_given = 1;
251			if (args_info->ForceField_group_counter && override)
252			reset_group_ForceField (args_info);
253			args_info->ForceField_group_counter += 1;
254			break;
255
256			case 'a': /* Use Amber99 parameters. */
257			if (local_args_info.amber_given)
258			{
259			fprintf (stderr, "%s: `--amber' (`-a') option given more than once%s\n", CMDLINE_PARSER_PACKAGE, (additional_error ? additional_error : ""));
260			goto failure;
261			}
262			if (args_info->amber_given && ! override)
263			continue;
264			local_args_info.amber_given = 1;
265			args_info->amber_given = 1;
266			if (args_info->ForceField_group_counter && override)
267			reset_group_ForceField (args_info);
268			args_info->ForceField_group_counter += 1;
269			break;
270
271			case 'l': /* Use Lennard-Jones parameters. */
272			if (local_args_info.lj_given)
273			{
274			fprintf (stderr, "%s: `--lj' (`-l') option given more than once%s\n", CMDLINE_PARSER_PACKAGE, (additional_error ? additional_error : ""));
275			goto failure;
276			}
277			if (args_info->lj_given && ! override)
278			continue;
279			local_args_info.lj_given = 1;
280			args_info->lj_given = 1;
281			if (args_info->ForceField_group_counter && override)
282			reset_group_ForceField (args_info);
283			args_info->ForceField_group_counter += 1;
284			break;
285
286			case 'g': /* Use GAFF parameters. */
287			if (local_args_info.gaff_given)
288			{
289			fprintf (stderr, "%s: `--gaff' (`-g') option given more than once%s\n", CMDLINE_PARSER_PACKAGE, (additional_error ? additional_error : ""));
290			goto failure;
291			}
292			if (args_info->gaff_given && ! override)
293			continue;
294			local_args_info.gaff_given = 1;
295			args_info->gaff_given = 1;
296			if (args_info->ForceField_group_counter && override)
297			reset_group_ForceField (args_info);
298			args_info->ForceField_group_counter += 1;
299			break;
300
301			case 'o': /* Use OPLS/AA parameters. */
302			if (local_args_info.opls_given)
303			{
304			fprintf (stderr, "%s: `--opls' (`-o') option given more than once%s\n", CMDLINE_PARSER_PACKAGE, (additional_error ? additional_error : ""));
305			goto failure;
306			}
307			if (args_info->opls_given && ! override)
308			continue;
309			local_args_info.opls_given = 1;
310			args_info->opls_given = 1;
311			if (args_info->ForceField_group_counter && override)
312			reset_group_ForceField (args_info);
313			args_info->ForceField_group_counter += 1;
314			break;
315
316
317			case 0: /* Long option with no short option */
318
319			case '?': /* Invalid option. */
320			/* `getopt_long' already printed an error message. */
321			goto failure;
322
323			default: /* bug: option not considered. */
324			fprintf (stderr, "%s: option unknown: %c%s\n", CMDLINE_PARSER_PACKAGE, c, (additional_error ? additional_error : ""));
325			abort ();
326			} /* switch */
327			} /* while */
328
329			if ( args_info->ForceField_group_counter != 1)
330			{
331			fprintf (stderr, "%s: %d options of group ForceField were given. One is required.%s\n", CMDLINE_PARSER_PACKAGE, args_info->ForceField_group_counter, (additional_error ? additional_error : ""));
332			error = 1;
333			}
334
335
336
337			if (check_required)
338			{
339			}
340
341			if ( error )
342			return (EXIT_FAILURE);
343
344	gezelter	1360	if (optind < argc)
345			{
346			int i = 0 ;
347
348			args_info->inputs_num = argc - optind ;
349			args_info->inputs =
350			(char *)(malloc ((args_info->inputs_num)sizeof(char *))) ;
351			while (optind < argc)
352			args_info->inputs[ i++ ] = gengetopt_strdup (argv[optind++]) ;
353			}
354
355	gezelter	1295	return 0;
356
357			failure:
358			cmdline_parser_free (&local_args_info);
359			return (EXIT_FAILURE);
360			}