trunk/SHAPES/shaperCmd.c

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

  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->input_given = 0 ;
  args_info->bandwidth_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->input_arg = NULL;
  args_info->bandwidth_arg = 8 ;
}

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("%s\n","  -h, --help            Print help and exit");
  printf("%s\n","  -V, --version         Print version and exit");
  printf("%s\n","  -i, --input=filename  input file name");
  printf("%s\n","  -b, --bandwidth=INT   The step detail for the potential grids - typically a \n                          power of 2  (default=`8')");
  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);
}

void
cmdline_parser_free (struct gengetopt_args_info *args_info)
{
  
  if (args_info->input_arg)
    {
      free (args_info->input_arg); /* free previous argument */
      args_info->input_arg = 0;
    }
  
  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' },
        { "input",      1, NULL, 'i' },
        { "bandwidth",  1, NULL, 'b' },
        { "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, "hVi:b: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 'i':       /* input file name.  */
          if (local_args_info.input_given)
            {
              fprintf (stderr, "%s: `--input' (`-i') option given more than once%s\n", CMDLINE_PARSER_PACKAGE, (additional_error ? additional_error : ""));
              goto failure;
            }
          if (args_info->input_given && ! override)
            continue;
          local_args_info.input_given = 1;
          args_info->input_given = 1;
          if (args_info->input_arg)
            free (args_info->input_arg); /* free previous string */
          args_info->input_arg = gengetopt_strdup (optarg);
          break;

        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 '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 (! args_info->input_given)
        {
          fprintf (stderr, "%s: '--input' ('-i') option required%s\n", CMDLINE_PARSER_PACKAGE, (additional_error ? additional_error : ""));
          error = 1;
        }
    }

  if ( error )
    return (EXIT_FAILURE);

  return 0;

failure:
  cmdline_parser_free (&local_args_info);
  return (EXIT_FAILURE);
}
Revision:	1295
Committed:	Thu Jun 24 15:31:52 2004 UTC (21 years, 4 months ago) by gezelter
Content type:	text/plain
File size:	10920 byte(s)
Log Message:	renamed forcer, modified factorial, fixed makefile
#	User	Rev	Content
1	gezelter	1295	/*
2			File autogenerated by gengetopt version 2.12.1
3			generated with the following command:
4			gengetopt --file-name=shaperCmd
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			/* 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->input_given = 0 ;
41			args_info->bandwidth_given = 0 ;
42			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->input_arg = NULL;
54			args_info->bandwidth_arg = 8 ;
55			}
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			"Usage: %s [OPTIONS]...\n", CMDLINE_PARSER_PACKAGE);
69			printf("\n");
70			printf("%s\n"," -h, --help Print help and exit");
71			printf("%s\n"," -V, --version Print version and exit");
72			printf("%s\n"," -i, --input=filename input file name");
73			printf("%s\n"," -b, --bandwidth=INT The step detail for the potential grids - typically a \n power of 2 (default=`8')");
74			printf("\n");
75			printf(" Group: ForceField A Force Field must be specified\n");
76			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			}
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			}
89
90			void
91			cmdline_parser_free (struct gengetopt_args_info *args_info)
92			{
93
94			if (args_info->input_arg)
95			{
96			free (args_info->input_arg); /* free previous argument */
97			args_info->input_arg = 0;
98			}
99
100			clear_given (args_info);
101			}
102
103
104			/* gengetopt_strdup() */
105			/* strdup.c replacement of strdup, which is not standard */
106			char *
107			gengetopt_strdup (const char *s)
108			{
109			char *result = NULL;
110			if (!s)
111			return result;
112
113			result = (char*)malloc(strlen(s) + 1);
114			if (result == (char*)0)
115			return (char*)0;
116			strcpy(result, s);
117			return result;
118			}
119
120			static void
121			reset_group_ForceField(struct gengetopt_args_info *args_info);
122
123			static void
124			reset_group_ForceField(struct gengetopt_args_info *args_info)
125			{
126			if (! args_info->ForceField_group_counter)
127			return;
128
129			args_info->charmm_given = 0 ;
130			args_info->amber_given = 0 ;
131			args_info->lj_given = 0 ;
132			args_info->gaff_given = 0 ;
133			args_info->opls_given = 0 ;
134
135			args_info->ForceField_group_counter = 0;
136			}
137
138			int
139			cmdline_parser (int argc, char * const argv, struct gengetopt_args_info args_info)
140			{
141			return cmdline_parser2 (argc, argv, args_info, 0, 1, 1);
142			}
143
144			int
145			cmdline_parser2 (int argc, char * const argv, struct gengetopt_args_info args_info, int override, int initialize, int check_required)
146			{
147			int result;
148
149			result = cmdline_parser_internal (argc, argv, args_info, override, initialize, check_required, NULL);
150
151			if (result == EXIT_FAILURE)
152			{
153			cmdline_parser_free (args_info);
154			exit (EXIT_FAILURE);
155			}
156
157			return result;
158			}
159
160			int
161			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)
162			{
163			int c; /* Character of the parsed option. */
164			int error = 0;
165			struct gengetopt_args_info local_args_info;
166
167			if (initialize)
168			cmdline_parser_init (args_info);
169
170			cmdline_parser_init (&local_args_info);
171
172			optarg = 0;
173			optind = 1;
174			opterr = 1;
175			optopt = '?';
176
177			while (1)
178			{
179			int option_index = 0;
180			char *stop_char;
181
182			static struct option long_options[] = {
183			{ "help", 0, NULL, 'h' },
184			{ "version", 0, NULL, 'V' },
185			{ "input", 1, NULL, 'i' },
186			{ "bandwidth", 1, NULL, 'b' },
187			{ "charmm", 0, NULL, 'c' },
188			{ "amber", 0, NULL, 'a' },
189			{ "lj", 0, NULL, 'l' },
190			{ "gaff", 0, NULL, 'g' },
191			{ "opls", 0, NULL, 'o' },
192			{ NULL, 0, NULL, 0 }
193			};
194
195			stop_char = 0;
196			c = getopt_long (argc, argv, "hVi:b:calgo", long_options, &option_index);
197
198			if (c == -1) break; /* Exit from `while (1)' loop. */
199
200			switch (c)
201			{
202			case 'h': /* Print help and exit. */
203			cmdline_parser_print_help ();
204			exit (EXIT_SUCCESS);
205
206			case 'V': /* Print version and exit. */
207			cmdline_parser_print_version ();
208			exit (EXIT_SUCCESS);
209
210			case 'i': /* input file name. */
211			if (local_args_info.input_given)
212			{
213			fprintf (stderr, "%s: `--input' (`-i') option given more than once%s\n", CMDLINE_PARSER_PACKAGE, (additional_error ? additional_error : ""));
214			goto failure;
215			}
216			if (args_info->input_given && ! override)
217			continue;
218			local_args_info.input_given = 1;
219			args_info->input_given = 1;
220			if (args_info->input_arg)
221			free (args_info->input_arg); /* free previous string */
222			args_info->input_arg = gengetopt_strdup (optarg);
223			break;
224
225			case 'b': /* The step detail for the potential grids - typically a power of 2. */
226			if (local_args_info.bandwidth_given)
227			{
228			fprintf (stderr, "%s: `--bandwidth' (`-b') option given more than once%s\n", CMDLINE_PARSER_PACKAGE, (additional_error ? additional_error : ""));
229			goto failure;
230			}
231			if (args_info->bandwidth_given && ! override)
232			continue;
233			local_args_info.bandwidth_given = 1;
234			args_info->bandwidth_given = 1;
235			args_info->bandwidth_arg = strtol (optarg,&stop_char,0);
236			break;
237
238			case 'c': /* Use CHARMM 27 parameters. */
239			if (local_args_info.charmm_given)
240			{
241			fprintf (stderr, "%s: `--charmm' (`-c') option given more than once%s\n", CMDLINE_PARSER_PACKAGE, (additional_error ? additional_error : ""));
242			goto failure;
243			}
244			if (args_info->charmm_given && ! override)
245			continue;
246			local_args_info.charmm_given = 1;
247			args_info->charmm_given = 1;
248			if (args_info->ForceField_group_counter && override)
249			reset_group_ForceField (args_info);
250			args_info->ForceField_group_counter += 1;
251			break;
252
253			case 'a': /* Use Amber99 parameters. */
254			if (local_args_info.amber_given)
255			{
256			fprintf (stderr, "%s: `--amber' (`-a') option given more than once%s\n", CMDLINE_PARSER_PACKAGE, (additional_error ? additional_error : ""));
257			goto failure;
258			}
259			if (args_info->amber_given && ! override)
260			continue;
261			local_args_info.amber_given = 1;
262			args_info->amber_given = 1;
263			if (args_info->ForceField_group_counter && override)
264			reset_group_ForceField (args_info);
265			args_info->ForceField_group_counter += 1;
266			break;
267
268			case 'l': /* Use Lennard-Jones parameters. */
269			if (local_args_info.lj_given)
270			{
271			fprintf (stderr, "%s: `--lj' (`-l') option given more than once%s\n", CMDLINE_PARSER_PACKAGE, (additional_error ? additional_error : ""));
272			goto failure;
273			}
274			if (args_info->lj_given && ! override)
275			continue;
276			local_args_info.lj_given = 1;
277			args_info->lj_given = 1;
278			if (args_info->ForceField_group_counter && override)
279			reset_group_ForceField (args_info);
280			args_info->ForceField_group_counter += 1;
281			break;
282
283			case 'g': /* Use GAFF parameters. */
284			if (local_args_info.gaff_given)
285			{
286			fprintf (stderr, "%s: `--gaff' (`-g') option given more than once%s\n", CMDLINE_PARSER_PACKAGE, (additional_error ? additional_error : ""));
287			goto failure;
288			}
289			if (args_info->gaff_given && ! override)
290			continue;
291			local_args_info.gaff_given = 1;
292			args_info->gaff_given = 1;
293			if (args_info->ForceField_group_counter && override)
294			reset_group_ForceField (args_info);
295			args_info->ForceField_group_counter += 1;
296			break;
297
298			case 'o': /* Use OPLS/AA parameters. */
299			if (local_args_info.opls_given)
300			{
301			fprintf (stderr, "%s: `--opls' (`-o') option given more than once%s\n", CMDLINE_PARSER_PACKAGE, (additional_error ? additional_error : ""));
302			goto failure;
303			}
304			if (args_info->opls_given && ! override)
305			continue;
306			local_args_info.opls_given = 1;
307			args_info->opls_given = 1;
308			if (args_info->ForceField_group_counter && override)
309			reset_group_ForceField (args_info);
310			args_info->ForceField_group_counter += 1;
311			break;
312
313
314			case 0: /* Long option with no short option */
315
316			case '?': /* Invalid option. */
317			/* `getopt_long' already printed an error message. */
318			goto failure;
319
320			default: /* bug: option not considered. */
321			fprintf (stderr, "%s: option unknown: %c%s\n", CMDLINE_PARSER_PACKAGE, c, (additional_error ? additional_error : ""));
322			abort ();
323			} /* switch */
324			} /* while */
325
326			if ( args_info->ForceField_group_counter != 1)
327			{
328			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 : ""));
329			error = 1;
330			}
331
332
333
334			if (check_required)
335			{
336			if (! args_info->input_given)
337			{
338			fprintf (stderr, "%s: '--input' ('-i') option required%s\n", CMDLINE_PARSER_PACKAGE, (additional_error ? additional_error : ""));
339			error = 1;
340			}
341			}
342
343			if ( error )
344			return (EXIT_FAILURE);
345
346			return 0;
347
348			failure:
349			cmdline_parser_free (&local_args_info);
350			return (EXIT_FAILURE);
351			}