1 |
/* |
2 |
File autogenerated by gengetopt version 2.22.4 |
3 |
generated with the following command: |
4 |
gengetopt -F DynamicPropsCmd -u |
5 |
|
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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. |
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*/ |
10 |
|
11 |
/* If we use autoconf. */ |
12 |
#ifdef HAVE_CONFIG_H |
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#include "config.h" |
14 |
#endif |
15 |
|
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#include <stdio.h> |
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#include <stdlib.h> |
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#include <string.h> |
19 |
|
20 |
#ifndef FIX_UNUSED |
21 |
#define FIX_UNUSED(X) (void) (X) /* avoid warnings for unused params */ |
22 |
#endif |
23 |
|
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#ifdef WIN32 |
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#include "utils/wingetopt.h" |
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#else |
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#include <getopt.h> |
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#endif |
29 |
|
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#include "DynamicPropsCmd.h" |
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|
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const char *gengetopt_args_info_purpose = ""; |
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|
34 |
const char *gengetopt_args_info_usage = "Usage: DynamicProps [OPTIONS]... [FILES]..."; |
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|
36 |
const char *gengetopt_args_info_description = ""; |
37 |
|
38 |
const char *gengetopt_args_info_help[] = { |
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" -h, --help Print help and exit", |
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" -V, --version Print version and exit", |
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" -i, --input=filename input dump file", |
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" -o, --output=filename output file name", |
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" --sele1=selection script select first stuntdouble set", |
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" --sele2=selection script select second stuntdouble set (if sele2 is not \n set, use script from sele1)", |
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" --order=INT Lengendre Polynomial Order", |
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" -m, --memory=memory specification\n Available memory (defaults to 2G) \n (default=`2G')", |
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"\n Group: dynamicProps\n an option of this group is required", |
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" -r, --rcorr rmsd", |
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" -v, --vcorr velocity correlation function", |
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" -d, --dcorr dipole correlation function", |
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" -l, --lcorr Lengendre correlation function", |
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" -s, --sdcorr System dipole correlation function", |
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" --r_rcorr Radial rmsd", |
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" --thetacorr Angular rmsd", |
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" --drcorr Directional rmsd for particles with unit \n vectors", |
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" --helfandEcorr Helfand moment for thermal conductvity", |
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" -p, --momentum Helfand momentum for viscosity", |
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" --stresscorr Stress tensor correlation function", |
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0 |
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}; |
61 |
|
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typedef enum {ARG_NO |
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, ARG_STRING |
64 |
, ARG_INT |
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} cmdline_parser_arg_type; |
66 |
|
67 |
static |
68 |
void clear_given (struct gengetopt_args_info *args_info); |
69 |
static |
70 |
void clear_args (struct gengetopt_args_info *args_info); |
71 |
|
72 |
static int |
73 |
cmdline_parser_internal (int argc, char **argv, struct gengetopt_args_info *args_info, |
74 |
struct cmdline_parser_params *params, const char *additional_error); |
75 |
|
76 |
static int |
77 |
cmdline_parser_required2 (struct gengetopt_args_info *args_info, const char *prog_name, const char *additional_error); |
78 |
|
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static char * |
80 |
gengetopt_strdup (const char *s); |
81 |
|
82 |
static |
83 |
void clear_given (struct gengetopt_args_info *args_info) |
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{ |
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args_info->help_given = 0 ; |
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args_info->version_given = 0 ; |
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args_info->input_given = 0 ; |
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args_info->output_given = 0 ; |
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args_info->sele1_given = 0 ; |
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args_info->sele2_given = 0 ; |
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args_info->order_given = 0 ; |
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args_info->memory_given = 0 ; |
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args_info->rcorr_given = 0 ; |
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args_info->vcorr_given = 0 ; |
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args_info->dcorr_given = 0 ; |
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args_info->lcorr_given = 0 ; |
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args_info->sdcorr_given = 0 ; |
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args_info->r_rcorr_given = 0 ; |
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args_info->thetacorr_given = 0 ; |
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args_info->drcorr_given = 0 ; |
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args_info->helfandEcorr_given = 0 ; |
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args_info->momentum_given = 0 ; |
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args_info->stresscorr_given = 0 ; |
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args_info->dynamicProps_group_counter = 0 ; |
105 |
} |
106 |
|
107 |
static |
108 |
void clear_args (struct gengetopt_args_info *args_info) |
109 |
{ |
110 |
FIX_UNUSED (args_info); |
111 |
args_info->input_arg = NULL; |
112 |
args_info->input_orig = NULL; |
113 |
args_info->output_arg = NULL; |
114 |
args_info->output_orig = NULL; |
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args_info->sele1_arg = NULL; |
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args_info->sele1_orig = NULL; |
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args_info->sele2_arg = NULL; |
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args_info->sele2_orig = NULL; |
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args_info->order_orig = NULL; |
120 |
args_info->memory_arg = gengetopt_strdup ("2G"); |
121 |
args_info->memory_orig = NULL; |
122 |
|
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} |
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|
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static |
126 |
void init_args_info(struct gengetopt_args_info *args_info) |
127 |
{ |
128 |
|
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|
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args_info->help_help = gengetopt_args_info_help[0] ; |
131 |
args_info->version_help = gengetopt_args_info_help[1] ; |
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args_info->input_help = gengetopt_args_info_help[2] ; |
133 |
args_info->output_help = gengetopt_args_info_help[3] ; |
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args_info->sele1_help = gengetopt_args_info_help[4] ; |
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args_info->sele2_help = gengetopt_args_info_help[5] ; |
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args_info->order_help = gengetopt_args_info_help[6] ; |
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args_info->memory_help = gengetopt_args_info_help[7] ; |
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args_info->rcorr_help = gengetopt_args_info_help[9] ; |
139 |
args_info->vcorr_help = gengetopt_args_info_help[10] ; |
140 |
args_info->dcorr_help = gengetopt_args_info_help[11] ; |
141 |
args_info->lcorr_help = gengetopt_args_info_help[12] ; |
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args_info->sdcorr_help = gengetopt_args_info_help[13] ; |
143 |
args_info->r_rcorr_help = gengetopt_args_info_help[14] ; |
144 |
args_info->thetacorr_help = gengetopt_args_info_help[15] ; |
145 |
args_info->drcorr_help = gengetopt_args_info_help[16] ; |
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args_info->helfandEcorr_help = gengetopt_args_info_help[17] ; |
147 |
args_info->momentum_help = gengetopt_args_info_help[18] ; |
148 |
args_info->stresscorr_help = gengetopt_args_info_help[19] ; |
149 |
|
150 |
} |
151 |
|
152 |
void |
153 |
cmdline_parser_print_version (void) |
154 |
{ |
155 |
printf ("%s %s\n", |
156 |
(strlen(CMDLINE_PARSER_PACKAGE_NAME) ? CMDLINE_PARSER_PACKAGE_NAME : CMDLINE_PARSER_PACKAGE), |
157 |
CMDLINE_PARSER_VERSION); |
158 |
} |
159 |
|
160 |
static void print_help_common(void) { |
161 |
cmdline_parser_print_version (); |
162 |
|
163 |
if (strlen(gengetopt_args_info_purpose) > 0) |
164 |
printf("\n%s\n", gengetopt_args_info_purpose); |
165 |
|
166 |
if (strlen(gengetopt_args_info_usage) > 0) |
167 |
printf("\n%s\n", gengetopt_args_info_usage); |
168 |
|
169 |
printf("\n"); |
170 |
|
171 |
if (strlen(gengetopt_args_info_description) > 0) |
172 |
printf("%s\n\n", gengetopt_args_info_description); |
173 |
} |
174 |
|
175 |
void |
176 |
cmdline_parser_print_help (void) |
177 |
{ |
178 |
int i = 0; |
179 |
print_help_common(); |
180 |
while (gengetopt_args_info_help[i]) |
181 |
printf("%s\n", gengetopt_args_info_help[i++]); |
182 |
} |
183 |
|
184 |
void |
185 |
cmdline_parser_init (struct gengetopt_args_info *args_info) |
186 |
{ |
187 |
clear_given (args_info); |
188 |
clear_args (args_info); |
189 |
init_args_info (args_info); |
190 |
|
191 |
args_info->inputs = 0; |
192 |
args_info->inputs_num = 0; |
193 |
} |
194 |
|
195 |
void |
196 |
cmdline_parser_params_init(struct cmdline_parser_params *params) |
197 |
{ |
198 |
if (params) |
199 |
{ |
200 |
params->override = 0; |
201 |
params->initialize = 1; |
202 |
params->check_required = 1; |
203 |
params->check_ambiguity = 0; |
204 |
params->print_errors = 1; |
205 |
} |
206 |
} |
207 |
|
208 |
struct cmdline_parser_params * |
209 |
cmdline_parser_params_create(void) |
210 |
{ |
211 |
struct cmdline_parser_params *params = |
212 |
(struct cmdline_parser_params *)malloc(sizeof(struct cmdline_parser_params)); |
213 |
cmdline_parser_params_init(params); |
214 |
return params; |
215 |
} |
216 |
|
217 |
static void |
218 |
free_string_field (char **s) |
219 |
{ |
220 |
if (*s) |
221 |
{ |
222 |
free (*s); |
223 |
*s = 0; |
224 |
} |
225 |
} |
226 |
|
227 |
|
228 |
static void |
229 |
cmdline_parser_release (struct gengetopt_args_info *args_info) |
230 |
{ |
231 |
unsigned int i; |
232 |
free_string_field (&(args_info->input_arg)); |
233 |
free_string_field (&(args_info->input_orig)); |
234 |
free_string_field (&(args_info->output_arg)); |
235 |
free_string_field (&(args_info->output_orig)); |
236 |
free_string_field (&(args_info->sele1_arg)); |
237 |
free_string_field (&(args_info->sele1_orig)); |
238 |
free_string_field (&(args_info->sele2_arg)); |
239 |
free_string_field (&(args_info->sele2_orig)); |
240 |
free_string_field (&(args_info->order_orig)); |
241 |
free_string_field (&(args_info->memory_arg)); |
242 |
free_string_field (&(args_info->memory_orig)); |
243 |
|
244 |
|
245 |
for (i = 0; i < args_info->inputs_num; ++i) |
246 |
free (args_info->inputs [i]); |
247 |
|
248 |
if (args_info->inputs_num) |
249 |
free (args_info->inputs); |
250 |
|
251 |
clear_given (args_info); |
252 |
} |
253 |
|
254 |
|
255 |
static void |
256 |
write_into_file(FILE *outfile, const char *opt, const char *arg, const char *values[]) |
257 |
{ |
258 |
FIX_UNUSED (values); |
259 |
if (arg) { |
260 |
fprintf(outfile, "%s=\"%s\"\n", opt, arg); |
261 |
} else { |
262 |
fprintf(outfile, "%s\n", opt); |
263 |
} |
264 |
} |
265 |
|
266 |
|
267 |
int |
268 |
cmdline_parser_dump(FILE *outfile, struct gengetopt_args_info *args_info) |
269 |
{ |
270 |
int i = 0; |
271 |
|
272 |
if (!outfile) |
273 |
{ |
274 |
fprintf (stderr, "%s: cannot dump options to stream\n", CMDLINE_PARSER_PACKAGE); |
275 |
return EXIT_FAILURE; |
276 |
} |
277 |
|
278 |
if (args_info->help_given) |
279 |
write_into_file(outfile, "help", 0, 0 ); |
280 |
if (args_info->version_given) |
281 |
write_into_file(outfile, "version", 0, 0 ); |
282 |
if (args_info->input_given) |
283 |
write_into_file(outfile, "input", args_info->input_orig, 0); |
284 |
if (args_info->output_given) |
285 |
write_into_file(outfile, "output", args_info->output_orig, 0); |
286 |
if (args_info->sele1_given) |
287 |
write_into_file(outfile, "sele1", args_info->sele1_orig, 0); |
288 |
if (args_info->sele2_given) |
289 |
write_into_file(outfile, "sele2", args_info->sele2_orig, 0); |
290 |
if (args_info->order_given) |
291 |
write_into_file(outfile, "order", args_info->order_orig, 0); |
292 |
if (args_info->memory_given) |
293 |
write_into_file(outfile, "memory", args_info->memory_orig, 0); |
294 |
if (args_info->rcorr_given) |
295 |
write_into_file(outfile, "rcorr", 0, 0 ); |
296 |
if (args_info->vcorr_given) |
297 |
write_into_file(outfile, "vcorr", 0, 0 ); |
298 |
if (args_info->dcorr_given) |
299 |
write_into_file(outfile, "dcorr", 0, 0 ); |
300 |
if (args_info->lcorr_given) |
301 |
write_into_file(outfile, "lcorr", 0, 0 ); |
302 |
if (args_info->sdcorr_given) |
303 |
write_into_file(outfile, "sdcorr", 0, 0 ); |
304 |
if (args_info->r_rcorr_given) |
305 |
write_into_file(outfile, "r_rcorr", 0, 0 ); |
306 |
if (args_info->thetacorr_given) |
307 |
write_into_file(outfile, "thetacorr", 0, 0 ); |
308 |
if (args_info->drcorr_given) |
309 |
write_into_file(outfile, "drcorr", 0, 0 ); |
310 |
if (args_info->helfandEcorr_given) |
311 |
write_into_file(outfile, "helfandEcorr", 0, 0 ); |
312 |
if (args_info->momentum_given) |
313 |
write_into_file(outfile, "momentum", 0, 0 ); |
314 |
if (args_info->stresscorr_given) |
315 |
write_into_file(outfile, "stresscorr", 0, 0 ); |
316 |
|
317 |
|
318 |
i = EXIT_SUCCESS; |
319 |
return i; |
320 |
} |
321 |
|
322 |
int |
323 |
cmdline_parser_file_save(const char *filename, struct gengetopt_args_info *args_info) |
324 |
{ |
325 |
FILE *outfile; |
326 |
int i = 0; |
327 |
|
328 |
outfile = fopen(filename, "w"); |
329 |
|
330 |
if (!outfile) |
331 |
{ |
332 |
fprintf (stderr, "%s: cannot open file for writing: %s\n", CMDLINE_PARSER_PACKAGE, filename); |
333 |
return EXIT_FAILURE; |
334 |
} |
335 |
|
336 |
i = cmdline_parser_dump(outfile, args_info); |
337 |
fclose (outfile); |
338 |
|
339 |
return i; |
340 |
} |
341 |
|
342 |
void |
343 |
cmdline_parser_free (struct gengetopt_args_info *args_info) |
344 |
{ |
345 |
cmdline_parser_release (args_info); |
346 |
} |
347 |
|
348 |
/** @brief replacement of strdup, which is not standard */ |
349 |
char * |
350 |
gengetopt_strdup (const char *s) |
351 |
{ |
352 |
char *result = 0; |
353 |
if (!s) |
354 |
return result; |
355 |
|
356 |
result = (char*)malloc(strlen(s) + 1); |
357 |
if (result == (char*)0) |
358 |
return (char*)0; |
359 |
strcpy(result, s); |
360 |
return result; |
361 |
} |
362 |
|
363 |
static void |
364 |
reset_group_dynamicProps(struct gengetopt_args_info *args_info) |
365 |
{ |
366 |
if (! args_info->dynamicProps_group_counter) |
367 |
return; |
368 |
|
369 |
args_info->rcorr_given = 0 ; |
370 |
args_info->vcorr_given = 0 ; |
371 |
args_info->dcorr_given = 0 ; |
372 |
args_info->lcorr_given = 0 ; |
373 |
args_info->sdcorr_given = 0 ; |
374 |
args_info->r_rcorr_given = 0 ; |
375 |
args_info->thetacorr_given = 0 ; |
376 |
args_info->drcorr_given = 0 ; |
377 |
args_info->helfandEcorr_given = 0 ; |
378 |
args_info->momentum_given = 0 ; |
379 |
args_info->stresscorr_given = 0 ; |
380 |
|
381 |
args_info->dynamicProps_group_counter = 0; |
382 |
} |
383 |
|
384 |
int |
385 |
cmdline_parser (int argc, char **argv, struct gengetopt_args_info *args_info) |
386 |
{ |
387 |
return cmdline_parser2 (argc, argv, args_info, 0, 1, 1); |
388 |
} |
389 |
|
390 |
int |
391 |
cmdline_parser_ext (int argc, char **argv, struct gengetopt_args_info *args_info, |
392 |
struct cmdline_parser_params *params) |
393 |
{ |
394 |
int result; |
395 |
result = cmdline_parser_internal (argc, argv, args_info, params, 0); |
396 |
|
397 |
if (result == EXIT_FAILURE) |
398 |
{ |
399 |
cmdline_parser_free (args_info); |
400 |
exit (EXIT_FAILURE); |
401 |
} |
402 |
|
403 |
return result; |
404 |
} |
405 |
|
406 |
int |
407 |
cmdline_parser2 (int argc, char **argv, struct gengetopt_args_info *args_info, int override, int initialize, int check_required) |
408 |
{ |
409 |
int result; |
410 |
struct cmdline_parser_params params; |
411 |
|
412 |
params.override = override; |
413 |
params.initialize = initialize; |
414 |
params.check_required = check_required; |
415 |
params.check_ambiguity = 0; |
416 |
params.print_errors = 1; |
417 |
|
418 |
result = cmdline_parser_internal (argc, argv, args_info, ¶ms, 0); |
419 |
|
420 |
if (result == EXIT_FAILURE) |
421 |
{ |
422 |
cmdline_parser_free (args_info); |
423 |
exit (EXIT_FAILURE); |
424 |
} |
425 |
|
426 |
return result; |
427 |
} |
428 |
|
429 |
int |
430 |
cmdline_parser_required (struct gengetopt_args_info *args_info, const char *prog_name) |
431 |
{ |
432 |
int result = EXIT_SUCCESS; |
433 |
|
434 |
if (cmdline_parser_required2(args_info, prog_name, 0) > 0) |
435 |
result = EXIT_FAILURE; |
436 |
|
437 |
if (result == EXIT_FAILURE) |
438 |
{ |
439 |
cmdline_parser_free (args_info); |
440 |
exit (EXIT_FAILURE); |
441 |
} |
442 |
|
443 |
return result; |
444 |
} |
445 |
|
446 |
int |
447 |
cmdline_parser_required2 (struct gengetopt_args_info *args_info, const char *prog_name, const char *additional_error) |
448 |
{ |
449 |
int error = 0; |
450 |
FIX_UNUSED (additional_error); |
451 |
|
452 |
/* checks for required options */ |
453 |
if (! args_info->input_given) |
454 |
{ |
455 |
fprintf (stderr, "%s: '--input' ('-i') option required%s\n", prog_name, (additional_error ? additional_error : "")); |
456 |
error = 1; |
457 |
} |
458 |
|
459 |
if (args_info->dynamicProps_group_counter == 0) |
460 |
{ |
461 |
fprintf (stderr, "%s: %d options of group dynamicProps were given. One is required%s.\n", prog_name, args_info->dynamicProps_group_counter, (additional_error ? additional_error : "")); |
462 |
error = 1; |
463 |
} |
464 |
|
465 |
|
466 |
/* checks for dependences among options */ |
467 |
|
468 |
return error; |
469 |
} |
470 |
|
471 |
|
472 |
static char *package_name = 0; |
473 |
|
474 |
/** |
475 |
* @brief updates an option |
476 |
* @param field the generic pointer to the field to update |
477 |
* @param orig_field the pointer to the orig field |
478 |
* @param field_given the pointer to the number of occurrence of this option |
479 |
* @param prev_given the pointer to the number of occurrence already seen |
480 |
* @param value the argument for this option (if null no arg was specified) |
481 |
* @param possible_values the possible values for this option (if specified) |
482 |
* @param default_value the default value (in case the option only accepts fixed values) |
483 |
* @param arg_type the type of this option |
484 |
* @param check_ambiguity @see cmdline_parser_params.check_ambiguity |
485 |
* @param override @see cmdline_parser_params.override |
486 |
* @param no_free whether to free a possible previous value |
487 |
* @param multiple_option whether this is a multiple option |
488 |
* @param long_opt the corresponding long option |
489 |
* @param short_opt the corresponding short option (or '-' if none) |
490 |
* @param additional_error possible further error specification |
491 |
*/ |
492 |
static |
493 |
int update_arg(void *field, char **orig_field, |
494 |
unsigned int *field_given, unsigned int *prev_given, |
495 |
char *value, const char *possible_values[], |
496 |
const char *default_value, |
497 |
cmdline_parser_arg_type arg_type, |
498 |
int check_ambiguity, int override, |
499 |
int no_free, int multiple_option, |
500 |
const char *long_opt, char short_opt, |
501 |
const char *additional_error) |
502 |
{ |
503 |
char *stop_char = 0; |
504 |
const char *val = value; |
505 |
int found; |
506 |
char **string_field; |
507 |
FIX_UNUSED (field); |
508 |
|
509 |
stop_char = 0; |
510 |
found = 0; |
511 |
|
512 |
if (!multiple_option && prev_given && (*prev_given || (check_ambiguity && *field_given))) |
513 |
{ |
514 |
if (short_opt != '-') |
515 |
fprintf (stderr, "%s: `--%s' (`-%c') option given more than once%s\n", |
516 |
package_name, long_opt, short_opt, |
517 |
(additional_error ? additional_error : "")); |
518 |
else |
519 |
fprintf (stderr, "%s: `--%s' option given more than once%s\n", |
520 |
package_name, long_opt, |
521 |
(additional_error ? additional_error : "")); |
522 |
return 1; /* failure */ |
523 |
} |
524 |
|
525 |
FIX_UNUSED (default_value); |
526 |
|
527 |
if (field_given && *field_given && ! override) |
528 |
return 0; |
529 |
if (prev_given) |
530 |
(*prev_given)++; |
531 |
if (field_given) |
532 |
(*field_given)++; |
533 |
if (possible_values) |
534 |
val = possible_values[found]; |
535 |
|
536 |
switch(arg_type) { |
537 |
case ARG_INT: |
538 |
if (val) *((int *)field) = strtol (val, &stop_char, 0); |
539 |
break; |
540 |
case ARG_STRING: |
541 |
if (val) { |
542 |
string_field = (char **)field; |
543 |
if (!no_free && *string_field) |
544 |
free (*string_field); /* free previous string */ |
545 |
*string_field = gengetopt_strdup (val); |
546 |
} |
547 |
break; |
548 |
default: |
549 |
break; |
550 |
}; |
551 |
|
552 |
/* check numeric conversion */ |
553 |
switch(arg_type) { |
554 |
case ARG_INT: |
555 |
if (val && !(stop_char && *stop_char == '\0')) { |
556 |
fprintf(stderr, "%s: invalid numeric value: %s\n", package_name, val); |
557 |
return 1; /* failure */ |
558 |
} |
559 |
break; |
560 |
default: |
561 |
; |
562 |
}; |
563 |
|
564 |
/* store the original value */ |
565 |
switch(arg_type) { |
566 |
case ARG_NO: |
567 |
break; |
568 |
default: |
569 |
if (value && orig_field) { |
570 |
if (no_free) { |
571 |
*orig_field = value; |
572 |
} else { |
573 |
if (*orig_field) |
574 |
free (*orig_field); /* free previous string */ |
575 |
*orig_field = gengetopt_strdup (value); |
576 |
} |
577 |
} |
578 |
}; |
579 |
|
580 |
return 0; /* OK */ |
581 |
} |
582 |
|
583 |
|
584 |
int |
585 |
cmdline_parser_internal ( |
586 |
int argc, char **argv, struct gengetopt_args_info *args_info, |
587 |
struct cmdline_parser_params *params, const char *additional_error) |
588 |
{ |
589 |
int c; /* Character of the parsed option. */ |
590 |
|
591 |
int error = 0; |
592 |
struct gengetopt_args_info local_args_info; |
593 |
|
594 |
int override; |
595 |
int initialize; |
596 |
int check_required; |
597 |
int check_ambiguity; |
598 |
|
599 |
package_name = argv[0]; |
600 |
|
601 |
override = params->override; |
602 |
initialize = params->initialize; |
603 |
check_required = params->check_required; |
604 |
check_ambiguity = params->check_ambiguity; |
605 |
|
606 |
if (initialize) |
607 |
cmdline_parser_init (args_info); |
608 |
|
609 |
cmdline_parser_init (&local_args_info); |
610 |
|
611 |
optarg = 0; |
612 |
optind = 0; |
613 |
opterr = params->print_errors; |
614 |
optopt = '?'; |
615 |
|
616 |
while (1) |
617 |
{ |
618 |
int option_index = 0; |
619 |
|
620 |
static struct option long_options[] = { |
621 |
{ "help", 0, NULL, 'h' }, |
622 |
{ "version", 0, NULL, 'V' }, |
623 |
{ "input", 1, NULL, 'i' }, |
624 |
{ "output", 1, NULL, 'o' }, |
625 |
{ "sele1", 1, NULL, 0 }, |
626 |
{ "sele2", 1, NULL, 0 }, |
627 |
{ "order", 1, NULL, 0 }, |
628 |
{ "memory", 1, NULL, 'm' }, |
629 |
{ "rcorr", 0, NULL, 'r' }, |
630 |
{ "vcorr", 0, NULL, 'v' }, |
631 |
{ "dcorr", 0, NULL, 'd' }, |
632 |
{ "lcorr", 0, NULL, 'l' }, |
633 |
{ "sdcorr", 0, NULL, 's' }, |
634 |
{ "r_rcorr", 0, NULL, 0 }, |
635 |
{ "thetacorr", 0, NULL, 0 }, |
636 |
{ "drcorr", 0, NULL, 0 }, |
637 |
{ "helfandEcorr", 0, NULL, 0 }, |
638 |
{ "momentum", 0, NULL, 'p' }, |
639 |
{ "stresscorr", 0, NULL, 0 }, |
640 |
{ 0, 0, 0, 0 } |
641 |
}; |
642 |
|
643 |
c = getopt_long (argc, argv, "hVi:o:m:rvdlsp", long_options, &option_index); |
644 |
|
645 |
if (c == -1) break; /* Exit from `while (1)' loop. */ |
646 |
|
647 |
switch (c) |
648 |
{ |
649 |
case 'h': /* Print help and exit. */ |
650 |
cmdline_parser_print_help (); |
651 |
cmdline_parser_free (&local_args_info); |
652 |
exit (EXIT_SUCCESS); |
653 |
|
654 |
case 'V': /* Print version and exit. */ |
655 |
cmdline_parser_print_version (); |
656 |
cmdline_parser_free (&local_args_info); |
657 |
exit (EXIT_SUCCESS); |
658 |
|
659 |
case 'i': /* input dump file. */ |
660 |
|
661 |
|
662 |
if (update_arg( (void *)&(args_info->input_arg), |
663 |
&(args_info->input_orig), &(args_info->input_given), |
664 |
&(local_args_info.input_given), optarg, 0, 0, ARG_STRING, |
665 |
check_ambiguity, override, 0, 0, |
666 |
"input", 'i', |
667 |
additional_error)) |
668 |
goto failure; |
669 |
|
670 |
break; |
671 |
case 'o': /* output file name. */ |
672 |
|
673 |
|
674 |
if (update_arg( (void *)&(args_info->output_arg), |
675 |
&(args_info->output_orig), &(args_info->output_given), |
676 |
&(local_args_info.output_given), optarg, 0, 0, ARG_STRING, |
677 |
check_ambiguity, override, 0, 0, |
678 |
"output", 'o', |
679 |
additional_error)) |
680 |
goto failure; |
681 |
|
682 |
break; |
683 |
case 'm': /* Available memory (defaults to 2G). */ |
684 |
|
685 |
|
686 |
if (update_arg( (void *)&(args_info->memory_arg), |
687 |
&(args_info->memory_orig), &(args_info->memory_given), |
688 |
&(local_args_info.memory_given), optarg, 0, "2G", ARG_STRING, |
689 |
check_ambiguity, override, 0, 0, |
690 |
"memory", 'm', |
691 |
additional_error)) |
692 |
goto failure; |
693 |
|
694 |
break; |
695 |
case 'r': /* rmsd. */ |
696 |
|
697 |
if (args_info->dynamicProps_group_counter && override) |
698 |
reset_group_dynamicProps (args_info); |
699 |
args_info->dynamicProps_group_counter += 1; |
700 |
|
701 |
if (update_arg( 0 , |
702 |
0 , &(args_info->rcorr_given), |
703 |
&(local_args_info.rcorr_given), optarg, 0, 0, ARG_NO, |
704 |
check_ambiguity, override, 0, 0, |
705 |
"rcorr", 'r', |
706 |
additional_error)) |
707 |
goto failure; |
708 |
|
709 |
break; |
710 |
case 'v': /* velocity correlation function. */ |
711 |
|
712 |
if (args_info->dynamicProps_group_counter && override) |
713 |
reset_group_dynamicProps (args_info); |
714 |
args_info->dynamicProps_group_counter += 1; |
715 |
|
716 |
if (update_arg( 0 , |
717 |
0 , &(args_info->vcorr_given), |
718 |
&(local_args_info.vcorr_given), optarg, 0, 0, ARG_NO, |
719 |
check_ambiguity, override, 0, 0, |
720 |
"vcorr", 'v', |
721 |
additional_error)) |
722 |
goto failure; |
723 |
|
724 |
break; |
725 |
case 'd': /* dipole correlation function. */ |
726 |
|
727 |
if (args_info->dynamicProps_group_counter && override) |
728 |
reset_group_dynamicProps (args_info); |
729 |
args_info->dynamicProps_group_counter += 1; |
730 |
|
731 |
if (update_arg( 0 , |
732 |
0 , &(args_info->dcorr_given), |
733 |
&(local_args_info.dcorr_given), optarg, 0, 0, ARG_NO, |
734 |
check_ambiguity, override, 0, 0, |
735 |
"dcorr", 'd', |
736 |
additional_error)) |
737 |
goto failure; |
738 |
|
739 |
break; |
740 |
case 'l': /* Lengendre correlation function. */ |
741 |
|
742 |
if (args_info->dynamicProps_group_counter && override) |
743 |
reset_group_dynamicProps (args_info); |
744 |
args_info->dynamicProps_group_counter += 1; |
745 |
|
746 |
if (update_arg( 0 , |
747 |
0 , &(args_info->lcorr_given), |
748 |
&(local_args_info.lcorr_given), optarg, 0, 0, ARG_NO, |
749 |
check_ambiguity, override, 0, 0, |
750 |
"lcorr", 'l', |
751 |
additional_error)) |
752 |
goto failure; |
753 |
|
754 |
break; |
755 |
case 's': /* System dipole correlation function. */ |
756 |
|
757 |
if (args_info->dynamicProps_group_counter && override) |
758 |
reset_group_dynamicProps (args_info); |
759 |
args_info->dynamicProps_group_counter += 1; |
760 |
|
761 |
if (update_arg( 0 , |
762 |
0 , &(args_info->sdcorr_given), |
763 |
&(local_args_info.sdcorr_given), optarg, 0, 0, ARG_NO, |
764 |
check_ambiguity, override, 0, 0, |
765 |
"sdcorr", 's', |
766 |
additional_error)) |
767 |
goto failure; |
768 |
|
769 |
break; |
770 |
case 'p': /* Helfand momentum for viscosity. */ |
771 |
|
772 |
if (args_info->dynamicProps_group_counter && override) |
773 |
reset_group_dynamicProps (args_info); |
774 |
args_info->dynamicProps_group_counter += 1; |
775 |
|
776 |
if (update_arg( 0 , |
777 |
0 , &(args_info->momentum_given), |
778 |
&(local_args_info.momentum_given), optarg, 0, 0, ARG_NO, |
779 |
check_ambiguity, override, 0, 0, |
780 |
"momentum", 'p', |
781 |
additional_error)) |
782 |
goto failure; |
783 |
|
784 |
break; |
785 |
|
786 |
case 0: /* Long option with no short option */ |
787 |
/* select first stuntdouble set. */ |
788 |
if (strcmp (long_options[option_index].name, "sele1") == 0) |
789 |
{ |
790 |
|
791 |
|
792 |
if (update_arg( (void *)&(args_info->sele1_arg), |
793 |
&(args_info->sele1_orig), &(args_info->sele1_given), |
794 |
&(local_args_info.sele1_given), optarg, 0, 0, ARG_STRING, |
795 |
check_ambiguity, override, 0, 0, |
796 |
"sele1", '-', |
797 |
additional_error)) |
798 |
goto failure; |
799 |
|
800 |
} |
801 |
/* select second stuntdouble set (if sele2 is not set, use script from sele1). */ |
802 |
else if (strcmp (long_options[option_index].name, "sele2") == 0) |
803 |
{ |
804 |
|
805 |
|
806 |
if (update_arg( (void *)&(args_info->sele2_arg), |
807 |
&(args_info->sele2_orig), &(args_info->sele2_given), |
808 |
&(local_args_info.sele2_given), optarg, 0, 0, ARG_STRING, |
809 |
check_ambiguity, override, 0, 0, |
810 |
"sele2", '-', |
811 |
additional_error)) |
812 |
goto failure; |
813 |
|
814 |
} |
815 |
/* Lengendre Polynomial Order. */ |
816 |
else if (strcmp (long_options[option_index].name, "order") == 0) |
817 |
{ |
818 |
|
819 |
|
820 |
if (update_arg( (void *)&(args_info->order_arg), |
821 |
&(args_info->order_orig), &(args_info->order_given), |
822 |
&(local_args_info.order_given), optarg, 0, 0, ARG_INT, |
823 |
check_ambiguity, override, 0, 0, |
824 |
"order", '-', |
825 |
additional_error)) |
826 |
goto failure; |
827 |
|
828 |
} |
829 |
/* Radial rmsd. */ |
830 |
else if (strcmp (long_options[option_index].name, "r_rcorr") == 0) |
831 |
{ |
832 |
|
833 |
if (args_info->dynamicProps_group_counter && override) |
834 |
reset_group_dynamicProps (args_info); |
835 |
args_info->dynamicProps_group_counter += 1; |
836 |
|
837 |
if (update_arg( 0 , |
838 |
0 , &(args_info->r_rcorr_given), |
839 |
&(local_args_info.r_rcorr_given), optarg, 0, 0, ARG_NO, |
840 |
check_ambiguity, override, 0, 0, |
841 |
"r_rcorr", '-', |
842 |
additional_error)) |
843 |
goto failure; |
844 |
|
845 |
} |
846 |
/* Angular rmsd. */ |
847 |
else if (strcmp (long_options[option_index].name, "thetacorr") == 0) |
848 |
{ |
849 |
|
850 |
if (args_info->dynamicProps_group_counter && override) |
851 |
reset_group_dynamicProps (args_info); |
852 |
args_info->dynamicProps_group_counter += 1; |
853 |
|
854 |
if (update_arg( 0 , |
855 |
0 , &(args_info->thetacorr_given), |
856 |
&(local_args_info.thetacorr_given), optarg, 0, 0, ARG_NO, |
857 |
check_ambiguity, override, 0, 0, |
858 |
"thetacorr", '-', |
859 |
additional_error)) |
860 |
goto failure; |
861 |
|
862 |
} |
863 |
/* Directional rmsd for particles with unit vectors. */ |
864 |
else if (strcmp (long_options[option_index].name, "drcorr") == 0) |
865 |
{ |
866 |
|
867 |
if (args_info->dynamicProps_group_counter && override) |
868 |
reset_group_dynamicProps (args_info); |
869 |
args_info->dynamicProps_group_counter += 1; |
870 |
|
871 |
if (update_arg( 0 , |
872 |
0 , &(args_info->drcorr_given), |
873 |
&(local_args_info.drcorr_given), optarg, 0, 0, ARG_NO, |
874 |
check_ambiguity, override, 0, 0, |
875 |
"drcorr", '-', |
876 |
additional_error)) |
877 |
goto failure; |
878 |
|
879 |
} |
880 |
/* Helfand moment for thermal conductvity. */ |
881 |
else if (strcmp (long_options[option_index].name, "helfandEcorr") == 0) |
882 |
{ |
883 |
|
884 |
if (args_info->dynamicProps_group_counter && override) |
885 |
reset_group_dynamicProps (args_info); |
886 |
args_info->dynamicProps_group_counter += 1; |
887 |
|
888 |
if (update_arg( 0 , |
889 |
0 , &(args_info->helfandEcorr_given), |
890 |
&(local_args_info.helfandEcorr_given), optarg, 0, 0, ARG_NO, |
891 |
check_ambiguity, override, 0, 0, |
892 |
"helfandEcorr", '-', |
893 |
additional_error)) |
894 |
goto failure; |
895 |
|
896 |
} |
897 |
/* Stress tensor correlation function. */ |
898 |
else if (strcmp (long_options[option_index].name, "stresscorr") == 0) |
899 |
{ |
900 |
|
901 |
if (args_info->dynamicProps_group_counter && override) |
902 |
reset_group_dynamicProps (args_info); |
903 |
args_info->dynamicProps_group_counter += 1; |
904 |
|
905 |
if (update_arg( 0 , |
906 |
0 , &(args_info->stresscorr_given), |
907 |
&(local_args_info.stresscorr_given), optarg, 0, 0, ARG_NO, |
908 |
check_ambiguity, override, 0, 0, |
909 |
"stresscorr", '-', |
910 |
additional_error)) |
911 |
goto failure; |
912 |
|
913 |
} |
914 |
|
915 |
break; |
916 |
case '?': /* Invalid option. */ |
917 |
/* `getopt_long' already printed an error message. */ |
918 |
goto failure; |
919 |
|
920 |
default: /* bug: option not considered. */ |
921 |
fprintf (stderr, "%s: option unknown: %c%s\n", CMDLINE_PARSER_PACKAGE, c, (additional_error ? additional_error : "")); |
922 |
abort (); |
923 |
} /* switch */ |
924 |
} /* while */ |
925 |
|
926 |
if (args_info->dynamicProps_group_counter > 1) |
927 |
{ |
928 |
fprintf (stderr, "%s: %d options of group dynamicProps were given. One is required%s.\n", argv[0], args_info->dynamicProps_group_counter, (additional_error ? additional_error : "")); |
929 |
error = 1; |
930 |
} |
931 |
|
932 |
|
933 |
|
934 |
if (check_required) |
935 |
{ |
936 |
error += cmdline_parser_required2 (args_info, argv[0], additional_error); |
937 |
} |
938 |
|
939 |
cmdline_parser_release (&local_args_info); |
940 |
|
941 |
if ( error ) |
942 |
return (EXIT_FAILURE); |
943 |
|
944 |
if (optind < argc) |
945 |
{ |
946 |
int i = 0 ; |
947 |
int found_prog_name = 0; |
948 |
/* whether program name, i.e., argv[0], is in the remaining args |
949 |
(this may happen with some implementations of getopt, |
950 |
but surely not with the one included by gengetopt) */ |
951 |
|
952 |
i = optind; |
953 |
while (i < argc) |
954 |
if (argv[i++] == argv[0]) { |
955 |
found_prog_name = 1; |
956 |
break; |
957 |
} |
958 |
i = 0; |
959 |
|
960 |
args_info->inputs_num = argc - optind - found_prog_name; |
961 |
args_info->inputs = |
962 |
(char **)(malloc ((args_info->inputs_num)*sizeof(char *))) ; |
963 |
while (optind < argc) |
964 |
if (argv[optind++] != argv[0]) |
965 |
args_info->inputs[ i++ ] = gengetopt_strdup (argv[optind-1]) ; |
966 |
} |
967 |
|
968 |
return 0; |
969 |
|
970 |
failure: |
971 |
|
972 |
cmdline_parser_release (&local_args_info); |
973 |
return (EXIT_FAILURE); |
974 |
} |