applications/thermalizer/thermalizerCmd.c

/*
  File autogenerated by gengetopt version 2.17
  generated with the following command:
  gengetopt -F thermalizerCmd --unamed-opts 

  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 "thermalizerCmd.h"

const char *gengetopt_args_info_purpose = "Resamples the velocities for all the integrable objects in an OOPSE file from a \nMaxwell-Boltzmann distribution.";

const char *gengetopt_args_info_usage = "Usage: thermalizer [OPTIONS]... [FILES]...";

const char *gengetopt_args_info_help[] = {
  "  -h, --help                Print help and exit",
  "  -V, --version             Print version and exit",
  "  -o, --output=STRING       Output file name",
  "  -t, --temperature=DOUBLE  temperature (K)",
    0
};

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 int
cmdline_parser_required2 (struct gengetopt_args_info *args_info, const char *prog_name, 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->output_given = 0 ;
  args_info->temperature_given = 0 ;
}

static
void clear_args (struct gengetopt_args_info *args_info)
{
  args_info->output_arg = NULL;
  args_info->output_orig = NULL;
  args_info->temperature_orig = NULL;
  
}

static
void init_args_info(struct gengetopt_args_info *args_info)
{
  args_info->help_help = gengetopt_args_info_help[0] ;
  args_info->version_help = gengetopt_args_info_help[1] ;
  args_info->output_help = gengetopt_args_info_help[2] ;
  args_info->temperature_help = gengetopt_args_info_help[3] ;
  
}

void
cmdline_parser_print_version (void)
{
  printf ("%s %s\n", CMDLINE_PARSER_PACKAGE, CMDLINE_PARSER_VERSION);
}

void
cmdline_parser_print_help (void)
{
  int i = 0;
  cmdline_parser_print_version ();

  if (strlen(gengetopt_args_info_purpose) > 0)
    printf("\n%s\n", gengetopt_args_info_purpose);

  printf("\n%s\n\n", gengetopt_args_info_usage);
  while (gengetopt_args_info_help[i])
    printf("%s\n", gengetopt_args_info_help[i++]);
}

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

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

static void
cmdline_parser_release (struct gengetopt_args_info *args_info)
{
  
  unsigned int i;
  if (args_info->output_arg)
    {
      free (args_info->output_arg); /* free previous argument */
      args_info->output_arg = 0;
    }
  if (args_info->output_orig)
    {
      free (args_info->output_orig); /* free previous argument */
      args_info->output_orig = 0;
    }
  if (args_info->temperature_orig)
    {
      free (args_info->temperature_orig); /* free previous argument */
      args_info->temperature_orig = 0;
    }
  
  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);
}

int
cmdline_parser_file_save(const char *filename, struct gengetopt_args_info *args_info)
{
  FILE *outfile;
  int i = 0;

  outfile = fopen(filename, "w");

  if (!outfile)
    {
      fprintf (stderr, "%s: cannot open file for writing: %s\n", CMDLINE_PARSER_PACKAGE, filename);
      return EXIT_FAILURE;
    }

  if (args_info->help_given) {
    fprintf(outfile, "%s\n", "help");
  }
  if (args_info->version_given) {
    fprintf(outfile, "%s\n", "version");
  }
  if (args_info->output_given) {
    if (args_info->output_orig) {
      fprintf(outfile, "%s=\"%s\"\n", "output", args_info->output_orig);
    } else {
      fprintf(outfile, "%s\n", "output");
    }
  }
  if (args_info->temperature_given) {
    if (args_info->temperature_orig) {
      fprintf(outfile, "%s=\"%s\"\n", "temperature", args_info->temperature_orig);
    } else {
      fprintf(outfile, "%s\n", "temperature");
    }
  }
  
  fclose (outfile);

  i = EXIT_SUCCESS;
  return i;
}

void
cmdline_parser_free (struct gengetopt_args_info *args_info)
{
  cmdline_parser_release (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;
}

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_required (struct gengetopt_args_info *args_info, const char *prog_name)
{
  int result = EXIT_SUCCESS;

  if (cmdline_parser_required2(args_info, prog_name, NULL) > 0)
    result = EXIT_FAILURE;

  if (result == EXIT_FAILURE)
    {
      cmdline_parser_free (args_info);
      exit (EXIT_FAILURE);
    }
  
  return result;
}

int
cmdline_parser_required2 (struct gengetopt_args_info *args_info, const char *prog_name, const char *additional_error)
{
  int error = 0;

  /* checks for required options */
  if (! args_info->output_given)
    {
      fprintf (stderr, "%s: '--output' ('-o') option required%s\n", prog_name, (additional_error ? additional_error : ""));
      error = 1;
    }
  
  if (! args_info->temperature_given)
    {
      fprintf (stderr, "%s: '--temperature' ('-t') option required%s\n", prog_name, (additional_error ? additional_error : ""));
      error = 1;
    }
  
  
  /* checks for dependences among options */

  return error;
}

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 = 0;
  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' },
        { "output",     1, NULL, 'o' },
        { "temperature",        1, NULL, 't' },
        { NULL, 0, NULL, 0 }
      };

      stop_char = 0;
      c = getopt_long (argc, argv, "hVo:t:", 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 ();
          cmdline_parser_free (&local_args_info);
          exit (EXIT_SUCCESS);

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

        case 'o':       /* Output file name.  */
          if (local_args_info.output_given)
            {
              fprintf (stderr, "%s: `--output' (`-o') option given more than once%s\n", argv[0], (additional_error ? additional_error : ""));
              goto failure;
            }
          if (args_info->output_given && ! override)
            continue;
          local_args_info.output_given = 1;
          args_info->output_given = 1;
          if (args_info->output_arg)
            free (args_info->output_arg); /* free previous string */
          args_info->output_arg = gengetopt_strdup (optarg);
          if (args_info->output_orig)
            free (args_info->output_orig); /* free previous string */
          args_info->output_orig = gengetopt_strdup (optarg);
          break;

        case 't':       /* temperature (K).  */
          if (local_args_info.temperature_given)
            {
              fprintf (stderr, "%s: `--temperature' (`-t') option given more than once%s\n", argv[0], (additional_error ? additional_error : ""));
              goto failure;
            }
          if (args_info->temperature_given && ! override)
            continue;
          local_args_info.temperature_given = 1;
          args_info->temperature_given = 1;
          args_info->temperature_arg = strtod (optarg, &stop_char);
          if (!(stop_char && *stop_char == '\0')) {
            fprintf(stderr, "%s: invalid numeric value: %s\n", argv[0], optarg);
            goto failure;
          }
          if (args_info->temperature_orig)
            free (args_info->temperature_orig); /* free previous string */
          args_info->temperature_orig = gengetopt_strdup (optarg);
          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 (check_required)
    {
      error += cmdline_parser_required2 (args_info, argv[0], additional_error);
    }

  cmdline_parser_release (&local_args_info);

  if ( error )
    return (EXIT_FAILURE);

  if (optind < argc)
    {
      int i = 0 ;
      int found_prog_name = 0;
      /* whether program name, i.e., argv[0], is in the remaining args
         (this may happen with some implementations of getopt,
          but surely not with the one included by gengetopt) */

      i = optind;
      while (i < argc)
        if (argv[i++] == argv[0]) {
          found_prog_name = 1;
          break;
        }
      i = 0;

      args_info->inputs_num = argc - optind - found_prog_name;
      args_info->inputs =
        (char **)(malloc ((args_info->inputs_num)*sizeof(char *))) ;
      while (optind < argc)
        if (argv[optind++] != argv[0])
          args_info->inputs[ i++ ] = gengetopt_strdup (argv[optind-1]) ;
    }

  return 0;

failure:
  
  cmdline_parser_release (&local_args_info);
  return (EXIT_FAILURE);
}
Revision:	1083
Committed:	Fri Oct 20 14:59:05 2006 UTC (19 years ago) by gezelter
Content type:	text/plain
File size:	10898 byte(s)
Log Message:	more openbabel updates, also changing velocitizer to thermalizer to avoid a filename collision on case-insensitve file systems
#	Content
1	/*
2	File autogenerated by gengetopt version 2.17
3	generated with the following command:
4	gengetopt -F thermalizerCmd --unamed-opts
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 "thermalizerCmd.h"
23
24	const char *gengetopt_args_info_purpose = "Resamples the velocities for all the integrable objects in an OOPSE file from a \nMaxwell-Boltzmann distribution.";
25
26	const char *gengetopt_args_info_usage = "Usage: thermalizer [OPTIONS]... [FILES]...";
27
28	const char *gengetopt_args_info_help[] = {
29	" -h, --help Print help and exit",
30	" -V, --version Print version and exit",
31	" -o, --output=STRING Output file name",
32	" -t, --temperature=DOUBLE temperature (K)",
33	0
34	};
35
36	static
37	void clear_given (struct gengetopt_args_info *args_info);
38	static
39	void clear_args (struct gengetopt_args_info *args_info);
40
41	static int
42	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);
43
44	static int
45	cmdline_parser_required2 (struct gengetopt_args_info args_info, const char prog_name, const char *additional_error);
46
47	static char *
48	gengetopt_strdup (const char *s);
49
50	static
51	void clear_given (struct gengetopt_args_info *args_info)
52	{
53	args_info->help_given = 0 ;
54	args_info->version_given = 0 ;
55	args_info->output_given = 0 ;
56	args_info->temperature_given = 0 ;
57	}
58
59	static
60	void clear_args (struct gengetopt_args_info *args_info)
61	{
62	args_info->output_arg = NULL;
63	args_info->output_orig = NULL;
64	args_info->temperature_orig = NULL;
65
66	}
67
68	static
69	void init_args_info(struct gengetopt_args_info *args_info)
70	{
71	args_info->help_help = gengetopt_args_info_help[0] ;
72	args_info->version_help = gengetopt_args_info_help[1] ;
73	args_info->output_help = gengetopt_args_info_help[2] ;
74	args_info->temperature_help = gengetopt_args_info_help[3] ;
75
76	}
77
78	void
79	cmdline_parser_print_version (void)
80	{
81	printf ("%s %s\n", CMDLINE_PARSER_PACKAGE, CMDLINE_PARSER_VERSION);
82	}
83
84	void
85	cmdline_parser_print_help (void)
86	{
87	int i = 0;
88	cmdline_parser_print_version ();
89
90	if (strlen(gengetopt_args_info_purpose) > 0)
91	printf("\n%s\n", gengetopt_args_info_purpose);
92
93	printf("\n%s\n\n", gengetopt_args_info_usage);
94	while (gengetopt_args_info_help[i])
95	printf("%s\n", gengetopt_args_info_help[i++]);
96	}
97
98	void
99	cmdline_parser_init (struct gengetopt_args_info *args_info)
100	{
101	clear_given (args_info);
102	clear_args (args_info);
103	init_args_info (args_info);
104
105	args_info->inputs = NULL;
106	args_info->inputs_num = 0;
107	}
108
109	static void
110	cmdline_parser_release (struct gengetopt_args_info *args_info)
111	{
112
113	unsigned int i;
114	if (args_info->output_arg)
115	{
116	free (args_info->output_arg); /* free previous argument */
117	args_info->output_arg = 0;
118	}
119	if (args_info->output_orig)
120	{
121	free (args_info->output_orig); /* free previous argument */
122	args_info->output_orig = 0;
123	}
124	if (args_info->temperature_orig)
125	{
126	free (args_info->temperature_orig); /* free previous argument */
127	args_info->temperature_orig = 0;
128	}
129
130	for (i = 0; i < args_info->inputs_num; ++i)
131	free (args_info->inputs [i]);
132
133	if (args_info->inputs_num)
134	free (args_info->inputs);
135
136	clear_given (args_info);
137	}
138
139	int
140	cmdline_parser_file_save(const char filename, struct gengetopt_args_info args_info)
141	{
142	FILE *outfile;
143	int i = 0;
144
145	outfile = fopen(filename, "w");
146
147	if (!outfile)
148	{
149	fprintf (stderr, "%s: cannot open file for writing: %s\n", CMDLINE_PARSER_PACKAGE, filename);
150	return EXIT_FAILURE;
151	}
152
153	if (args_info->help_given) {
154	fprintf(outfile, "%s\n", "help");
155	}
156	if (args_info->version_given) {
157	fprintf(outfile, "%s\n", "version");
158	}
159	if (args_info->output_given) {
160	if (args_info->output_orig) {
161	fprintf(outfile, "%s=\"%s\"\n", "output", args_info->output_orig);
162	} else {
163	fprintf(outfile, "%s\n", "output");
164	}
165	}
166	if (args_info->temperature_given) {
167	if (args_info->temperature_orig) {
168	fprintf(outfile, "%s=\"%s\"\n", "temperature", args_info->temperature_orig);
169	} else {
170	fprintf(outfile, "%s\n", "temperature");
171	}
172	}
173
174	fclose (outfile);
175
176	i = EXIT_SUCCESS;
177	return i;
178	}
179
180	void
181	cmdline_parser_free (struct gengetopt_args_info *args_info)
182	{
183	cmdline_parser_release (args_info);
184	}
185
186
187	/* gengetopt_strdup() */
188	/* strdup.c replacement of strdup, which is not standard */
189	char *
190	gengetopt_strdup (const char *s)
191	{
192	char *result = NULL;
193	if (!s)
194	return result;
195
196	result = (char*)malloc(strlen(s) + 1);
197	if (result == (char*)0)
198	return (char*)0;
199	strcpy(result, s);
200	return result;
201	}
202
203	int
204	cmdline_parser (int argc, char * const argv, struct gengetopt_args_info args_info)
205	{
206	return cmdline_parser2 (argc, argv, args_info, 0, 1, 1);
207	}
208
209	int
210	cmdline_parser2 (int argc, char * const argv, struct gengetopt_args_info args_info, int override, int initialize, int check_required)
211	{
212	int result;
213
214	result = cmdline_parser_internal (argc, argv, args_info, override, initialize, check_required, NULL);
215
216	if (result == EXIT_FAILURE)
217	{
218	cmdline_parser_free (args_info);
219	exit (EXIT_FAILURE);
220	}
221
222	return result;
223	}
224
225	int
226	cmdline_parser_required (struct gengetopt_args_info args_info, const char prog_name)
227	{
228	int result = EXIT_SUCCESS;
229
230	if (cmdline_parser_required2(args_info, prog_name, NULL) > 0)
231	result = EXIT_FAILURE;
232
233	if (result == EXIT_FAILURE)
234	{
235	cmdline_parser_free (args_info);
236	exit (EXIT_FAILURE);
237	}
238
239	return result;
240	}
241
242	int
243	cmdline_parser_required2 (struct gengetopt_args_info args_info, const char prog_name, const char *additional_error)
244	{
245	int error = 0;
246
247	/* checks for required options */
248	if (! args_info->output_given)
249	{
250	fprintf (stderr, "%s: '--output' ('-o') option required%s\n", prog_name, (additional_error ? additional_error : ""));
251	error = 1;
252	}
253
254	if (! args_info->temperature_given)
255	{
256	fprintf (stderr, "%s: '--temperature' ('-t') option required%s\n", prog_name, (additional_error ? additional_error : ""));
257	error = 1;
258	}
259
260
261	/* checks for dependences among options */
262
263	return error;
264	}
265
266	int
267	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)
268	{
269	int c; /* Character of the parsed option. */
270
271	int error = 0;
272	struct gengetopt_args_info local_args_info;
273
274	if (initialize)
275	cmdline_parser_init (args_info);
276
277	cmdline_parser_init (&local_args_info);
278
279	optarg = 0;
280	optind = 0;
281	opterr = 1;
282	optopt = '?';
283
284	while (1)
285	{
286	int option_index = 0;
287	char *stop_char;
288
289	static struct option long_options[] = {
290	{ "help", 0, NULL, 'h' },
291	{ "version", 0, NULL, 'V' },
292	{ "output", 1, NULL, 'o' },
293	{ "temperature", 1, NULL, 't' },
294	{ NULL, 0, NULL, 0 }
295	};
296
297	stop_char = 0;
298	c = getopt_long (argc, argv, "hVo:t:", long_options, &option_index);
299
300	if (c == -1) break; /* Exit from `while (1)' loop. */
301
302	switch (c)
303	{
304	case 'h': /* Print help and exit. */
305	cmdline_parser_print_help ();
306	cmdline_parser_free (&local_args_info);
307	exit (EXIT_SUCCESS);
308
309	case 'V': /* Print version and exit. */
310	cmdline_parser_print_version ();
311	cmdline_parser_free (&local_args_info);
312	exit (EXIT_SUCCESS);
313
314	case 'o': /* Output file name. */
315	if (local_args_info.output_given)
316	{
317	fprintf (stderr, "%s: `--output' (`-o') option given more than once%s\n", argv[0], (additional_error ? additional_error : ""));
318	goto failure;
319	}
320	if (args_info->output_given && ! override)
321	continue;
322	local_args_info.output_given = 1;
323	args_info->output_given = 1;
324	if (args_info->output_arg)
325	free (args_info->output_arg); /* free previous string */
326	args_info->output_arg = gengetopt_strdup (optarg);
327	if (args_info->output_orig)
328	free (args_info->output_orig); /* free previous string */
329	args_info->output_orig = gengetopt_strdup (optarg);
330	break;
331
332	case 't': /* temperature (K). */
333	if (local_args_info.temperature_given)
334	{
335	fprintf (stderr, "%s: `--temperature' (`-t') option given more than once%s\n", argv[0], (additional_error ? additional_error : ""));
336	goto failure;
337	}
338	if (args_info->temperature_given && ! override)
339	continue;
340	local_args_info.temperature_given = 1;
341	args_info->temperature_given = 1;
342	args_info->temperature_arg = strtod (optarg, &stop_char);
343	if (!(stop_char && *stop_char == '\0')) {
344	fprintf(stderr, "%s: invalid numeric value: %s\n", argv[0], optarg);
345	goto failure;
346	}
347	if (args_info->temperature_orig)
348	free (args_info->temperature_orig); /* free previous string */
349	args_info->temperature_orig = gengetopt_strdup (optarg);
350	break;
351
352
353	case 0: /* Long option with no short option */
354	case '?': /* Invalid option. */
355	/* `getopt_long' already printed an error message. */
356	goto failure;
357
358	default: /* bug: option not considered. */
359	fprintf (stderr, "%s: option unknown: %c%s\n", CMDLINE_PARSER_PACKAGE, c, (additional_error ? additional_error : ""));
360	abort ();
361	} /* switch */
362	} /* while */
363
364
365
366	if (check_required)
367	{
368	error += cmdline_parser_required2 (args_info, argv[0], additional_error);
369	}
370
371	cmdline_parser_release (&local_args_info);
372
373	if ( error )
374	return (EXIT_FAILURE);
375
376	if (optind < argc)
377	{
378	int i = 0 ;
379	int found_prog_name = 0;
380	/* whether program name, i.e., argv[0], is in the remaining args
381	(this may happen with some implementations of getopt,
382	but surely not with the one included by gengetopt) */
383
384	i = optind;
385	while (i < argc)
386	if (argv[i++] == argv[0]) {
387	found_prog_name = 1;
388	break;
389	}
390	i = 0;
391
392	args_info->inputs_num = argc - optind - found_prog_name;
393	args_info->inputs =
394	(char *)(malloc ((args_info->inputs_num)sizeof(char *))) ;
395	while (optind < argc)
396	if (argv[optind++] != argv[0])
397	args_info->inputs[ i++ ] = gengetopt_strdup (argv[optind-1]) ;
398	}
399
400	return 0;
401
402	failure:
403
404	cmdline_parser_release (&local_args_info);
405	return (EXIT_FAILURE);
406	}