1 |
|
/* |
2 |
< |
File autogenerated by gengetopt version 2.13 |
2 |
> |
File autogenerated by gengetopt version 2.15 |
3 |
|
generated with the following command: |
4 |
< |
gengetopt -u -F nanoparticleBuilderCmd |
4 |
> |
gengetopt -u -i nanoparticleBuilder.ggo -F nanoparticleBuilderCmd |
5 |
|
|
6 |
|
The developers of gengetopt consider the fixed text that goes in all |
7 |
|
gengetopt output files to be in the public domain: |
35 |
|
struct ShellRadius_list |
36 |
|
{ |
37 |
|
double ShellRadius_arg; |
38 |
+ |
char *ShellRadius_orig; |
39 |
|
struct ShellRadius_list * next; |
40 |
|
}; |
41 |
|
|
42 |
|
struct molFraction_list |
43 |
|
{ |
44 |
|
double molFraction_arg; |
45 |
+ |
char *molFraction_orig; |
46 |
|
struct molFraction_list * next; |
47 |
|
}; |
48 |
|
|
49 |
|
struct vacancyRadius_list |
50 |
|
{ |
51 |
|
double vacancyRadius_arg; |
52 |
+ |
char *vacancyRadius_orig; |
53 |
|
struct vacancyRadius_list * next; |
54 |
|
}; |
55 |
|
|
62 |
|
args_info->help_given = 0 ; |
63 |
|
args_info->version_given = 0 ; |
64 |
|
args_info->output_given = 0 ; |
62 |
– |
args_info->latticetype_given = 0 ; |
65 |
|
args_info->latticeCnst_given = 0 ; |
66 |
|
args_info->radius_given = 0 ; |
67 |
|
args_info->ShellRadius_given = 0 ; |
74 |
|
void clear_args (struct gengetopt_args_info *args_info) |
75 |
|
{ |
76 |
|
args_info->output_arg = NULL; |
77 |
< |
args_info->latticetype_arg = gengetopt_strdup ("fcc"); |
77 |
> |
args_info->output_orig = NULL; |
78 |
> |
args_info->latticeCnst_orig = NULL; |
79 |
> |
args_info->radius_orig = NULL; |
80 |
|
args_info->ShellRadius_arg = NULL; |
81 |
+ |
args_info->ShellRadius_orig = NULL; |
82 |
|
args_info->molFraction_arg = NULL; |
83 |
+ |
args_info->molFraction_orig = NULL; |
84 |
+ |
args_info->vacancyPCT_orig = NULL; |
85 |
|
args_info->vacancyRadius_arg = NULL; |
86 |
+ |
args_info->vacancyRadius_orig = NULL; |
87 |
+ |
|
88 |
|
} |
89 |
|
|
90 |
|
void |
102 |
|
printf("%s\n"," -h, --help Print help and exit"); |
103 |
|
printf("%s\n"," -V, --version Print version and exit"); |
104 |
|
printf("%s\n"," -o, --output=STRING Output file name"); |
96 |
– |
printf("%s\n"," --latticetype=STRING Lattice type string. Valid types are fcc,hcp,bcc. \n (default=`fcc')"); |
105 |
|
printf("%s\n"," --latticeCnst=DOUBLE Lattice spacing in Angstroms for cubic lattice."); |
106 |
|
printf("%s\n"," --radius=DOUBLE Nanoparticle radius in Angstroms"); |
107 |
|
printf("%s\n"," --ShellRadius=DOUBLE Radius from the center of the particle to start a \n new shell in multi-component core-shell \n particle. Specified for each component > 1 in \n md file."); |
121 |
|
args_info->inputs_num = 0; |
122 |
|
} |
123 |
|
|
124 |
< |
void |
125 |
< |
cmdline_parser_free (struct gengetopt_args_info *args_info) |
124 |
> |
static void |
125 |
> |
cmdline_parser_release (struct gengetopt_args_info *args_info) |
126 |
|
{ |
127 |
|
|
128 |
|
unsigned int i; |
131 |
|
free (args_info->output_arg); /* free previous argument */ |
132 |
|
args_info->output_arg = 0; |
133 |
|
} |
134 |
< |
if (args_info->latticetype_arg) |
134 |
> |
if (args_info->output_orig) |
135 |
|
{ |
136 |
< |
free (args_info->latticetype_arg); /* free previous argument */ |
137 |
< |
args_info->latticetype_arg = 0; |
136 |
> |
free (args_info->output_orig); /* free previous argument */ |
137 |
> |
args_info->output_orig = 0; |
138 |
|
} |
139 |
+ |
if (args_info->latticeCnst_orig) |
140 |
+ |
{ |
141 |
+ |
free (args_info->latticeCnst_orig); /* free previous argument */ |
142 |
+ |
args_info->latticeCnst_orig = 0; |
143 |
+ |
} |
144 |
+ |
if (args_info->radius_orig) |
145 |
+ |
{ |
146 |
+ |
free (args_info->radius_orig); /* free previous argument */ |
147 |
+ |
args_info->radius_orig = 0; |
148 |
+ |
} |
149 |
|
if (args_info->ShellRadius_arg) |
150 |
|
{ |
151 |
+ |
for (i = 0; i < args_info->ShellRadius_given; ++i) |
152 |
+ |
{ |
153 |
+ |
if (args_info->ShellRadius_orig [i]) |
154 |
+ |
{ |
155 |
+ |
free (args_info->ShellRadius_orig [i]); /* free previous argument */ |
156 |
+ |
args_info->ShellRadius_orig [i] = 0; |
157 |
+ |
} |
158 |
+ |
} |
159 |
|
free (args_info->ShellRadius_arg); /* free previous argument */ |
160 |
|
args_info->ShellRadius_arg = 0; |
161 |
+ |
free (args_info->ShellRadius_orig); /* free previous argument */ |
162 |
+ |
args_info->ShellRadius_orig = 0; |
163 |
|
} |
164 |
|
if (args_info->molFraction_arg) |
165 |
|
{ |
166 |
+ |
for (i = 0; i < args_info->molFraction_given; ++i) |
167 |
+ |
{ |
168 |
+ |
if (args_info->molFraction_orig [i]) |
169 |
+ |
{ |
170 |
+ |
free (args_info->molFraction_orig [i]); /* free previous argument */ |
171 |
+ |
args_info->molFraction_orig [i] = 0; |
172 |
+ |
} |
173 |
+ |
} |
174 |
|
free (args_info->molFraction_arg); /* free previous argument */ |
175 |
|
args_info->molFraction_arg = 0; |
176 |
+ |
free (args_info->molFraction_orig); /* free previous argument */ |
177 |
+ |
args_info->molFraction_orig = 0; |
178 |
|
} |
179 |
+ |
if (args_info->vacancyPCT_orig) |
180 |
+ |
{ |
181 |
+ |
free (args_info->vacancyPCT_orig); /* free previous argument */ |
182 |
+ |
args_info->vacancyPCT_orig = 0; |
183 |
+ |
} |
184 |
|
if (args_info->vacancyRadius_arg) |
185 |
|
{ |
186 |
+ |
for (i = 0; i < args_info->vacancyRadius_given; ++i) |
187 |
+ |
{ |
188 |
+ |
if (args_info->vacancyRadius_orig [i]) |
189 |
+ |
{ |
190 |
+ |
free (args_info->vacancyRadius_orig [i]); /* free previous argument */ |
191 |
+ |
args_info->vacancyRadius_orig [i] = 0; |
192 |
+ |
} |
193 |
+ |
} |
194 |
|
free (args_info->vacancyRadius_arg); /* free previous argument */ |
195 |
|
args_info->vacancyRadius_arg = 0; |
196 |
+ |
free (args_info->vacancyRadius_orig); /* free previous argument */ |
197 |
+ |
args_info->vacancyRadius_orig = 0; |
198 |
|
} |
199 |
|
|
200 |
|
for (i = 0; i < args_info->inputs_num; ++i) |
206 |
|
clear_given (args_info); |
207 |
|
} |
208 |
|
|
209 |
+ |
int |
210 |
+ |
cmdline_parser_file_save(const char *filename, struct gengetopt_args_info *args_info) |
211 |
+ |
{ |
212 |
+ |
FILE *outfile; |
213 |
+ |
int i = 0; |
214 |
+ |
|
215 |
+ |
outfile = fopen(filename, "w"); |
216 |
+ |
|
217 |
+ |
if (!outfile) |
218 |
+ |
{ |
219 |
+ |
fprintf (stderr, "%s: cannot open file for writing: %s\n", CMDLINE_PARSER_PACKAGE, filename); |
220 |
+ |
return EXIT_FAILURE; |
221 |
+ |
} |
222 |
+ |
|
223 |
+ |
if (args_info->help_given) { |
224 |
+ |
fprintf(outfile, "%s\n", "help"); |
225 |
+ |
} |
226 |
+ |
if (args_info->version_given) { |
227 |
+ |
fprintf(outfile, "%s\n", "version"); |
228 |
+ |
} |
229 |
+ |
if (args_info->output_given) { |
230 |
+ |
if (args_info->output_orig) { |
231 |
+ |
fprintf(outfile, "%s=\"%s\"\n", "output", args_info->output_orig); |
232 |
+ |
} else { |
233 |
+ |
fprintf(outfile, "%s\n", "output"); |
234 |
+ |
} |
235 |
+ |
} |
236 |
+ |
if (args_info->latticeCnst_given) { |
237 |
+ |
if (args_info->latticeCnst_orig) { |
238 |
+ |
fprintf(outfile, "%s=\"%s\"\n", "latticeCnst", args_info->latticeCnst_orig); |
239 |
+ |
} else { |
240 |
+ |
fprintf(outfile, "%s\n", "latticeCnst"); |
241 |
+ |
} |
242 |
+ |
} |
243 |
+ |
if (args_info->radius_given) { |
244 |
+ |
if (args_info->radius_orig) { |
245 |
+ |
fprintf(outfile, "%s=\"%s\"\n", "radius", args_info->radius_orig); |
246 |
+ |
} else { |
247 |
+ |
fprintf(outfile, "%s\n", "radius"); |
248 |
+ |
} |
249 |
+ |
} |
250 |
+ |
if (args_info->ShellRadius_orig) |
251 |
+ |
{ |
252 |
+ |
for (i = 0; i < args_info->ShellRadius_given; ++i) |
253 |
+ |
{ |
254 |
+ |
if (args_info->ShellRadius_orig [i]) |
255 |
+ |
{ |
256 |
+ |
fprintf(outfile, "%s=\"%s\"\n", "ShellRadius", args_info->ShellRadius_orig [i]); |
257 |
+ |
} |
258 |
+ |
} |
259 |
+ |
} |
260 |
+ |
if (args_info->molFraction_orig) |
261 |
+ |
{ |
262 |
+ |
for (i = 0; i < args_info->molFraction_given; ++i) |
263 |
+ |
{ |
264 |
+ |
if (args_info->molFraction_orig [i]) |
265 |
+ |
{ |
266 |
+ |
fprintf(outfile, "%s=\"%s\"\n", "molFraction", args_info->molFraction_orig [i]); |
267 |
+ |
} |
268 |
+ |
} |
269 |
+ |
} |
270 |
+ |
if (args_info->vacancyPCT_given) { |
271 |
+ |
if (args_info->vacancyPCT_orig) { |
272 |
+ |
fprintf(outfile, "%s=\"%s\"\n", "vacancyPCT", args_info->vacancyPCT_orig); |
273 |
+ |
} else { |
274 |
+ |
fprintf(outfile, "%s\n", "vacancyPCT"); |
275 |
+ |
} |
276 |
+ |
} |
277 |
+ |
if (args_info->vacancyRadius_orig) |
278 |
+ |
{ |
279 |
+ |
for (i = 0; i < args_info->vacancyRadius_given; ++i) |
280 |
+ |
{ |
281 |
+ |
if (args_info->vacancyRadius_orig [i]) |
282 |
+ |
{ |
283 |
+ |
fprintf(outfile, "%s=\"%s\"\n", "vacancyRadius", args_info->vacancyRadius_orig [i]); |
284 |
+ |
} |
285 |
+ |
} |
286 |
+ |
} |
287 |
+ |
|
288 |
+ |
fclose (outfile); |
289 |
+ |
|
290 |
+ |
i = EXIT_SUCCESS; |
291 |
+ |
return i; |
292 |
+ |
} |
293 |
+ |
|
294 |
+ |
void |
295 |
+ |
cmdline_parser_free (struct gengetopt_args_info *args_info) |
296 |
+ |
{ |
297 |
+ |
cmdline_parser_release (args_info); |
298 |
+ |
} |
299 |
+ |
|
300 |
+ |
|
301 |
|
/* gengetopt_strdup() */ |
302 |
|
/* strdup.c replacement of strdup, which is not standard */ |
303 |
|
char * |
444 |
|
{ "help", 0, NULL, 'h' }, |
445 |
|
{ "version", 0, NULL, 'V' }, |
446 |
|
{ "output", 1, NULL, 'o' }, |
302 |
– |
{ "latticetype", 1, NULL, 0 }, |
447 |
|
{ "latticeCnst", 1, NULL, 0 }, |
448 |
|
{ "radius", 1, NULL, 0 }, |
449 |
|
{ "ShellRadius", 1, NULL, 0 }, |
462 |
|
{ |
463 |
|
case 'h': /* Print help and exit. */ |
464 |
|
cmdline_parser_print_help (); |
465 |
+ |
cmdline_parser_free (&local_args_info); |
466 |
|
exit (EXIT_SUCCESS); |
467 |
|
|
468 |
|
case 'V': /* Print version and exit. */ |
469 |
|
cmdline_parser_print_version (); |
470 |
+ |
cmdline_parser_free (&local_args_info); |
471 |
|
exit (EXIT_SUCCESS); |
472 |
|
|
473 |
|
case 'o': /* Output file name. */ |
483 |
|
if (args_info->output_arg) |
484 |
|
free (args_info->output_arg); /* free previous string */ |
485 |
|
args_info->output_arg = gengetopt_strdup (optarg); |
486 |
+ |
if (args_info->output_orig) |
487 |
+ |
free (args_info->output_orig); /* free previous string */ |
488 |
+ |
args_info->output_orig = gengetopt_strdup (optarg); |
489 |
|
break; |
490 |
|
|
491 |
|
|
492 |
|
case 0: /* Long option with no short option */ |
344 |
– |
/* Lattice type string. Valid types are fcc,hcp,bcc.. */ |
345 |
– |
if (strcmp (long_options[option_index].name, "latticetype") == 0) |
346 |
– |
{ |
347 |
– |
if (local_args_info.latticetype_given) |
348 |
– |
{ |
349 |
– |
fprintf (stderr, "%s: `--latticetype' option given more than once%s\n", argv[0], (additional_error ? additional_error : "")); |
350 |
– |
goto failure; |
351 |
– |
} |
352 |
– |
if (args_info->latticetype_given && ! override) |
353 |
– |
continue; |
354 |
– |
local_args_info.latticetype_given = 1; |
355 |
– |
args_info->latticetype_given = 1; |
356 |
– |
if (args_info->latticetype_arg) |
357 |
– |
free (args_info->latticetype_arg); /* free previous string */ |
358 |
– |
args_info->latticetype_arg = gengetopt_strdup (optarg); |
359 |
– |
} |
493 |
|
/* Lattice spacing in Angstroms for cubic lattice.. */ |
494 |
< |
else if (strcmp (long_options[option_index].name, "latticeCnst") == 0) |
494 |
> |
if (strcmp (long_options[option_index].name, "latticeCnst") == 0) |
495 |
|
{ |
496 |
|
if (local_args_info.latticeCnst_given) |
497 |
|
{ |
502 |
|
continue; |
503 |
|
local_args_info.latticeCnst_given = 1; |
504 |
|
args_info->latticeCnst_given = 1; |
505 |
< |
args_info->latticeCnst_arg = strtod (optarg, NULL); |
505 |
> |
args_info->latticeCnst_arg = strtod (optarg, &stop_char); |
506 |
> |
if (!(stop_char && *stop_char == '\0')) { |
507 |
> |
fprintf(stderr, "%s: invalid numeric value: %s\n", argv[0], optarg); |
508 |
> |
goto failure; |
509 |
> |
} |
510 |
> |
if (args_info->latticeCnst_orig) |
511 |
> |
free (args_info->latticeCnst_orig); /* free previous string */ |
512 |
> |
args_info->latticeCnst_orig = gengetopt_strdup (optarg); |
513 |
|
} |
514 |
|
/* Nanoparticle radius in Angstroms. */ |
515 |
|
else if (strcmp (long_options[option_index].name, "radius") == 0) |
523 |
|
continue; |
524 |
|
local_args_info.radius_given = 1; |
525 |
|
args_info->radius_given = 1; |
526 |
< |
args_info->radius_arg = strtod (optarg, NULL); |
526 |
> |
args_info->radius_arg = strtod (optarg, &stop_char); |
527 |
> |
if (!(stop_char && *stop_char == '\0')) { |
528 |
> |
fprintf(stderr, "%s: invalid numeric value: %s\n", argv[0], optarg); |
529 |
> |
goto failure; |
530 |
> |
} |
531 |
> |
if (args_info->radius_orig) |
532 |
> |
free (args_info->radius_orig); /* free previous string */ |
533 |
> |
args_info->radius_orig = gengetopt_strdup (optarg); |
534 |
|
} |
535 |
|
/* Radius from the center of the particle to start a new shell in multi-component core-shell particle. Specified for each component > 1 in md file.. */ |
536 |
|
else if (strcmp (long_options[option_index].name, "ShellRadius") == 0) |
545 |
|
ShellRadius_new = (struct ShellRadius_list *) malloc (sizeof (struct ShellRadius_list)); |
546 |
|
ShellRadius_new->next = ShellRadius_list; |
547 |
|
ShellRadius_list = ShellRadius_new; |
548 |
< |
ShellRadius_new->ShellRadius_arg = strtod (multi_token, NULL); |
549 |
< |
free (multi_token); |
548 |
> |
ShellRadius_new->ShellRadius_arg = strtod (multi_token, &stop_char); |
549 |
> |
if (!(stop_char && *stop_char == '\0')) { |
550 |
> |
fprintf(stderr, "%s: invalid numeric value: %s\n", argv[0], multi_token); |
551 |
> |
goto failure; |
552 |
> |
} |
553 |
> |
ShellRadius_new->ShellRadius_orig = multi_token; |
554 |
|
|
555 |
|
if (multi_next) |
556 |
|
{ |
576 |
|
molFraction_new = (struct molFraction_list *) malloc (sizeof (struct molFraction_list)); |
577 |
|
molFraction_new->next = molFraction_list; |
578 |
|
molFraction_list = molFraction_new; |
579 |
< |
molFraction_new->molFraction_arg = strtod (multi_token, NULL); |
580 |
< |
free (multi_token); |
579 |
> |
molFraction_new->molFraction_arg = strtod (multi_token, &stop_char); |
580 |
> |
if (!(stop_char && *stop_char == '\0')) { |
581 |
> |
fprintf(stderr, "%s: invalid numeric value: %s\n", argv[0], multi_token); |
582 |
> |
goto failure; |
583 |
> |
} |
584 |
> |
molFraction_new->molFraction_orig = multi_token; |
585 |
|
|
586 |
|
if (multi_next) |
587 |
|
{ |
606 |
|
continue; |
607 |
|
local_args_info.vacancyPCT_given = 1; |
608 |
|
args_info->vacancyPCT_given = 1; |
609 |
< |
args_info->vacancyPCT_arg = strtod (optarg, NULL); |
609 |
> |
args_info->vacancyPCT_arg = strtod (optarg, &stop_char); |
610 |
> |
if (!(stop_char && *stop_char == '\0')) { |
611 |
> |
fprintf(stderr, "%s: invalid numeric value: %s\n", argv[0], optarg); |
612 |
> |
goto failure; |
613 |
> |
} |
614 |
> |
if (args_info->vacancyPCT_orig) |
615 |
> |
free (args_info->vacancyPCT_orig); /* free previous string */ |
616 |
> |
args_info->vacancyPCT_orig = gengetopt_strdup (optarg); |
617 |
|
} |
618 |
|
/* Radius arround core-shell where vacancies should be located.. */ |
619 |
|
else if (strcmp (long_options[option_index].name, "vacancyRadius") == 0) |
628 |
|
vacancyRadius_new = (struct vacancyRadius_list *) malloc (sizeof (struct vacancyRadius_list)); |
629 |
|
vacancyRadius_new->next = vacancyRadius_list; |
630 |
|
vacancyRadius_list = vacancyRadius_new; |
631 |
< |
vacancyRadius_new->vacancyRadius_arg = strtod (multi_token, NULL); |
632 |
< |
free (multi_token); |
631 |
> |
vacancyRadius_new->vacancyRadius_arg = strtod (multi_token, &stop_char); |
632 |
> |
if (!(stop_char && *stop_char == '\0')) { |
633 |
> |
fprintf(stderr, "%s: invalid numeric value: %s\n", argv[0], multi_token); |
634 |
> |
goto failure; |
635 |
> |
} |
636 |
> |
vacancyRadius_new->vacancyRadius_orig = multi_token; |
637 |
|
|
638 |
|
if (multi_next) |
639 |
|
{ |
663 |
|
{ |
664 |
|
struct ShellRadius_list *tmp; |
665 |
|
args_info->ShellRadius_arg = (double *) realloc (args_info->ShellRadius_arg, (args_info->ShellRadius_given + local_args_info.ShellRadius_given) * sizeof (double)); |
666 |
+ |
args_info->ShellRadius_orig = (char **) realloc (args_info->ShellRadius_orig, (args_info->ShellRadius_given + local_args_info.ShellRadius_given) * sizeof (char *)); |
667 |
|
for (i = (local_args_info.ShellRadius_given - 1); i >= 0; --i) |
668 |
|
{ |
669 |
|
tmp = ShellRadius_list; |
670 |
|
args_info->ShellRadius_arg [i + args_info->ShellRadius_given] = ShellRadius_list->ShellRadius_arg; |
671 |
+ |
args_info->ShellRadius_orig [i + args_info->ShellRadius_given] = ShellRadius_list->ShellRadius_orig; |
672 |
|
ShellRadius_list = ShellRadius_list->next; |
673 |
|
free (tmp); |
674 |
|
} |
678 |
|
{ |
679 |
|
struct molFraction_list *tmp; |
680 |
|
args_info->molFraction_arg = (double *) realloc (args_info->molFraction_arg, (args_info->molFraction_given + local_args_info.molFraction_given) * sizeof (double)); |
681 |
+ |
args_info->molFraction_orig = (char **) realloc (args_info->molFraction_orig, (args_info->molFraction_given + local_args_info.molFraction_given) * sizeof (char *)); |
682 |
|
for (i = (local_args_info.molFraction_given - 1); i >= 0; --i) |
683 |
|
{ |
684 |
|
tmp = molFraction_list; |
685 |
|
args_info->molFraction_arg [i + args_info->molFraction_given] = molFraction_list->molFraction_arg; |
686 |
+ |
args_info->molFraction_orig [i + args_info->molFraction_given] = molFraction_list->molFraction_orig; |
687 |
|
molFraction_list = molFraction_list->next; |
688 |
|
free (tmp); |
689 |
|
} |
693 |
|
{ |
694 |
|
struct vacancyRadius_list *tmp; |
695 |
|
args_info->vacancyRadius_arg = (double *) realloc (args_info->vacancyRadius_arg, (args_info->vacancyRadius_given + local_args_info.vacancyRadius_given) * sizeof (double)); |
696 |
+ |
args_info->vacancyRadius_orig = (char **) realloc (args_info->vacancyRadius_orig, (args_info->vacancyRadius_given + local_args_info.vacancyRadius_given) * sizeof (char *)); |
697 |
|
for (i = (local_args_info.vacancyRadius_given - 1); i >= 0; --i) |
698 |
|
{ |
699 |
|
tmp = vacancyRadius_list; |
700 |
|
args_info->vacancyRadius_arg [i + args_info->vacancyRadius_given] = vacancyRadius_list->vacancyRadius_arg; |
701 |
+ |
args_info->vacancyRadius_orig [i + args_info->vacancyRadius_given] = vacancyRadius_list->vacancyRadius_orig; |
702 |
|
vacancyRadius_list = vacancyRadius_list->next; |
703 |
|
free (tmp); |
704 |
|
} |
717 |
|
error += cmdline_parser_required2 (args_info, argv[0], additional_error); |
718 |
|
} |
719 |
|
|
720 |
< |
cmdline_parser_free (&local_args_info); |
720 |
> |
cmdline_parser_release (&local_args_info); |
721 |
|
|
722 |
|
if ( error ) |
723 |
|
return (EXIT_FAILURE); |
742 |
|
while (ShellRadius_list) |
743 |
|
{ |
744 |
|
tmp = ShellRadius_list; |
745 |
+ |
free (ShellRadius_list->ShellRadius_orig); |
746 |
|
ShellRadius_list = ShellRadius_list->next; |
747 |
|
free (tmp); |
748 |
|
} |
753 |
|
while (molFraction_list) |
754 |
|
{ |
755 |
|
tmp = molFraction_list; |
756 |
+ |
free (molFraction_list->molFraction_orig); |
757 |
|
molFraction_list = molFraction_list->next; |
758 |
|
free (tmp); |
759 |
|
} |
764 |
|
while (vacancyRadius_list) |
765 |
|
{ |
766 |
|
tmp = vacancyRadius_list; |
767 |
+ |
free (vacancyRadius_list->vacancyRadius_orig); |
768 |
|
vacancyRadius_list = vacancyRadius_list->next; |
769 |
|
free (tmp); |
770 |
|
} |
771 |
|
} |
772 |
|
|
773 |
< |
cmdline_parser_free (&local_args_info); |
773 |
> |
cmdline_parser_release (&local_args_info); |
774 |
|
return (EXIT_FAILURE); |
775 |
|
} |