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
#	User	Rev	Content
1	gezelter	1083	/*
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			}