1 |
|
/* |
2 |
< |
File autogenerated by gengetopt version 2.19.1 |
2 |
> |
File autogenerated by gengetopt version 2.22.4 |
3 |
|
generated with the following command: |
4 |
< |
gengetopt -F DynamicPropsCmd |
4 |
> |
gengetopt --file-name=DynamicPropsCmd --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: |
17 |
|
#include <stdlib.h> |
18 |
|
#include <string.h> |
19 |
|
|
20 |
< |
#include "getopt.h" |
20 |
> |
#ifndef FIX_UNUSED |
21 |
> |
#define FIX_UNUSED(X) (void) (X) /* avoid warnings for unused params */ |
22 |
> |
#endif |
23 |
|
|
24 |
+ |
#include <getopt.h> |
25 |
+ |
|
26 |
|
#include "DynamicPropsCmd.h" |
27 |
|
|
28 |
|
const char *gengetopt_args_info_purpose = ""; |
29 |
|
|
30 |
< |
const char *gengetopt_args_info_usage = "Usage: DynamicProps [OPTIONS]..."; |
30 |
> |
const char *gengetopt_args_info_usage = "Usage: DynamicProps [OPTIONS]... [FILES]..."; |
31 |
|
|
32 |
|
const char *gengetopt_args_info_description = ""; |
33 |
|
|
39 |
|
" --sele1=selection script select first stuntdouble set", |
40 |
|
" --sele2=selection script select second stuntdouble set (if sele2 is not \n set, use script from sele1)", |
41 |
|
" --order=INT Lengendre Polynomial Order", |
42 |
+ |
" -m, --memory=memory specification\n Available memory (defaults to 2G) \n (default=`2G')", |
43 |
|
"\n Group: dynamicProps\n an option of this group is required", |
44 |
+ |
" -s, --selecorr selection correlation function", |
45 |
|
" -r, --rcorr rmsd", |
46 |
|
" -v, --vcorr velocity correlation function", |
47 |
|
" -d, --dcorr dipole correlation function", |
48 |
|
" -l, --lcorr Lengendre correlation function", |
49 |
+ |
" -M, --sdcorr System dipole correlation function", |
50 |
|
" --r_rcorr Radial rmsd", |
51 |
|
" --thetacorr Angular rmsd", |
52 |
|
" --drcorr Directional rmsd for particles with unit \n vectors", |
53 |
+ |
" --helfandEcorr Helfand moment for thermal conductvity", |
54 |
+ |
" -p, --momentum Helfand momentum for viscosity", |
55 |
+ |
" --stresscorr Stress tensor correlation function", |
56 |
|
0 |
57 |
|
}; |
58 |
|
|
59 |
+ |
typedef enum {ARG_NO |
60 |
+ |
, ARG_STRING |
61 |
+ |
, ARG_INT |
62 |
+ |
} cmdline_parser_arg_type; |
63 |
+ |
|
64 |
|
static |
65 |
|
void clear_given (struct gengetopt_args_info *args_info); |
66 |
|
static |
67 |
|
void clear_args (struct gengetopt_args_info *args_info); |
68 |
|
|
69 |
|
static int |
70 |
< |
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); |
70 |
> |
cmdline_parser_internal (int argc, char **argv, struct gengetopt_args_info *args_info, |
71 |
> |
struct cmdline_parser_params *params, const char *additional_error); |
72 |
|
|
73 |
|
static int |
74 |
|
cmdline_parser_required2 (struct gengetopt_args_info *args_info, const char *prog_name, const char *additional_error); |
86 |
|
args_info->sele1_given = 0 ; |
87 |
|
args_info->sele2_given = 0 ; |
88 |
|
args_info->order_given = 0 ; |
89 |
+ |
args_info->memory_given = 0 ; |
90 |
+ |
args_info->selecorr_given = 0 ; |
91 |
|
args_info->rcorr_given = 0 ; |
92 |
|
args_info->vcorr_given = 0 ; |
93 |
|
args_info->dcorr_given = 0 ; |
94 |
|
args_info->lcorr_given = 0 ; |
95 |
+ |
args_info->sdcorr_given = 0 ; |
96 |
|
args_info->r_rcorr_given = 0 ; |
97 |
|
args_info->thetacorr_given = 0 ; |
98 |
|
args_info->drcorr_given = 0 ; |
99 |
+ |
args_info->helfandEcorr_given = 0 ; |
100 |
+ |
args_info->momentum_given = 0 ; |
101 |
+ |
args_info->stresscorr_given = 0 ; |
102 |
|
args_info->dynamicProps_group_counter = 0 ; |
103 |
|
} |
104 |
|
|
105 |
|
static |
106 |
|
void clear_args (struct gengetopt_args_info *args_info) |
107 |
|
{ |
108 |
+ |
FIX_UNUSED (args_info); |
109 |
|
args_info->input_arg = NULL; |
110 |
|
args_info->input_orig = NULL; |
111 |
|
args_info->output_arg = NULL; |
115 |
|
args_info->sele2_arg = NULL; |
116 |
|
args_info->sele2_orig = NULL; |
117 |
|
args_info->order_orig = NULL; |
118 |
+ |
args_info->memory_arg = gengetopt_strdup ("2G"); |
119 |
+ |
args_info->memory_orig = NULL; |
120 |
|
|
121 |
|
} |
122 |
|
|
123 |
|
static |
124 |
|
void init_args_info(struct gengetopt_args_info *args_info) |
125 |
|
{ |
126 |
+ |
|
127 |
+ |
|
128 |
|
args_info->help_help = gengetopt_args_info_help[0] ; |
129 |
|
args_info->version_help = gengetopt_args_info_help[1] ; |
130 |
|
args_info->input_help = gengetopt_args_info_help[2] ; |
132 |
|
args_info->sele1_help = gengetopt_args_info_help[4] ; |
133 |
|
args_info->sele2_help = gengetopt_args_info_help[5] ; |
134 |
|
args_info->order_help = gengetopt_args_info_help[6] ; |
135 |
< |
args_info->rcorr_help = gengetopt_args_info_help[7] ; |
136 |
< |
args_info->vcorr_help = gengetopt_args_info_help[8] ; |
137 |
< |
args_info->dcorr_help = gengetopt_args_info_help[9] ; |
138 |
< |
args_info->lcorr_help = gengetopt_args_info_help[10] ; |
139 |
< |
args_info->r_rcorr_help = gengetopt_args_info_help[11] ; |
140 |
< |
args_info->thetacorr_help = gengetopt_args_info_help[12] ; |
141 |
< |
args_info->drcorr_help = gengetopt_args_info_help[13] ; |
135 |
> |
args_info->memory_help = gengetopt_args_info_help[7] ; |
136 |
> |
args_info->selecorr_help = gengetopt_args_info_help[9] ; |
137 |
> |
args_info->rcorr_help = gengetopt_args_info_help[10] ; |
138 |
> |
args_info->vcorr_help = gengetopt_args_info_help[11] ; |
139 |
> |
args_info->dcorr_help = gengetopt_args_info_help[12] ; |
140 |
> |
args_info->lcorr_help = gengetopt_args_info_help[13] ; |
141 |
> |
args_info->sdcorr_help = gengetopt_args_info_help[14] ; |
142 |
> |
args_info->r_rcorr_help = gengetopt_args_info_help[15] ; |
143 |
> |
args_info->thetacorr_help = gengetopt_args_info_help[16] ; |
144 |
> |
args_info->drcorr_help = gengetopt_args_info_help[17] ; |
145 |
> |
args_info->helfandEcorr_help = gengetopt_args_info_help[18] ; |
146 |
> |
args_info->momentum_help = gengetopt_args_info_help[19] ; |
147 |
> |
args_info->stresscorr_help = gengetopt_args_info_help[20] ; |
148 |
|
|
149 |
|
} |
150 |
|
|
151 |
|
void |
152 |
|
cmdline_parser_print_version (void) |
153 |
|
{ |
154 |
< |
printf ("%s %s\n", CMDLINE_PARSER_PACKAGE, CMDLINE_PARSER_VERSION); |
154 |
> |
printf ("%s %s\n", |
155 |
> |
(strlen(CMDLINE_PARSER_PACKAGE_NAME) ? CMDLINE_PARSER_PACKAGE_NAME : CMDLINE_PARSER_PACKAGE), |
156 |
> |
CMDLINE_PARSER_VERSION); |
157 |
|
} |
158 |
|
|
159 |
< |
void |
125 |
< |
cmdline_parser_print_help (void) |
126 |
< |
{ |
127 |
< |
int i = 0; |
159 |
> |
static void print_help_common(void) { |
160 |
|
cmdline_parser_print_version (); |
161 |
|
|
162 |
|
if (strlen(gengetopt_args_info_purpose) > 0) |
163 |
|
printf("\n%s\n", gengetopt_args_info_purpose); |
164 |
|
|
165 |
< |
printf("\n%s\n\n", gengetopt_args_info_usage); |
165 |
> |
if (strlen(gengetopt_args_info_usage) > 0) |
166 |
> |
printf("\n%s\n", gengetopt_args_info_usage); |
167 |
|
|
168 |
+ |
printf("\n"); |
169 |
+ |
|
170 |
|
if (strlen(gengetopt_args_info_description) > 0) |
171 |
< |
printf("%s\n", gengetopt_args_info_description); |
171 |
> |
printf("%s\n\n", gengetopt_args_info_description); |
172 |
> |
} |
173 |
|
|
174 |
+ |
void |
175 |
+ |
cmdline_parser_print_help (void) |
176 |
+ |
{ |
177 |
+ |
int i = 0; |
178 |
+ |
print_help_common(); |
179 |
|
while (gengetopt_args_info_help[i]) |
180 |
|
printf("%s\n", gengetopt_args_info_help[i++]); |
181 |
|
} |
186 |
|
clear_given (args_info); |
187 |
|
clear_args (args_info); |
188 |
|
init_args_info (args_info); |
189 |
+ |
|
190 |
+ |
args_info->inputs = 0; |
191 |
+ |
args_info->inputs_num = 0; |
192 |
|
} |
193 |
|
|
194 |
+ |
void |
195 |
+ |
cmdline_parser_params_init(struct cmdline_parser_params *params) |
196 |
+ |
{ |
197 |
+ |
if (params) |
198 |
+ |
{ |
199 |
+ |
params->override = 0; |
200 |
+ |
params->initialize = 1; |
201 |
+ |
params->check_required = 1; |
202 |
+ |
params->check_ambiguity = 0; |
203 |
+ |
params->print_errors = 1; |
204 |
+ |
} |
205 |
+ |
} |
206 |
+ |
|
207 |
+ |
struct cmdline_parser_params * |
208 |
+ |
cmdline_parser_params_create(void) |
209 |
+ |
{ |
210 |
+ |
struct cmdline_parser_params *params = |
211 |
+ |
(struct cmdline_parser_params *)malloc(sizeof(struct cmdline_parser_params)); |
212 |
+ |
cmdline_parser_params_init(params); |
213 |
+ |
return params; |
214 |
+ |
} |
215 |
+ |
|
216 |
|
static void |
217 |
+ |
free_string_field (char **s) |
218 |
+ |
{ |
219 |
+ |
if (*s) |
220 |
+ |
{ |
221 |
+ |
free (*s); |
222 |
+ |
*s = 0; |
223 |
+ |
} |
224 |
+ |
} |
225 |
+ |
|
226 |
+ |
|
227 |
+ |
static void |
228 |
|
cmdline_parser_release (struct gengetopt_args_info *args_info) |
229 |
|
{ |
230 |
+ |
unsigned int i; |
231 |
+ |
free_string_field (&(args_info->input_arg)); |
232 |
+ |
free_string_field (&(args_info->input_orig)); |
233 |
+ |
free_string_field (&(args_info->output_arg)); |
234 |
+ |
free_string_field (&(args_info->output_orig)); |
235 |
+ |
free_string_field (&(args_info->sele1_arg)); |
236 |
+ |
free_string_field (&(args_info->sele1_orig)); |
237 |
+ |
free_string_field (&(args_info->sele2_arg)); |
238 |
+ |
free_string_field (&(args_info->sele2_orig)); |
239 |
+ |
free_string_field (&(args_info->order_orig)); |
240 |
+ |
free_string_field (&(args_info->memory_arg)); |
241 |
+ |
free_string_field (&(args_info->memory_orig)); |
242 |
|
|
243 |
< |
if (args_info->input_arg) |
243 |
> |
|
244 |
> |
for (i = 0; i < args_info->inputs_num; ++i) |
245 |
> |
free (args_info->inputs [i]); |
246 |
> |
|
247 |
> |
if (args_info->inputs_num) |
248 |
> |
free (args_info->inputs); |
249 |
> |
|
250 |
> |
clear_given (args_info); |
251 |
> |
} |
252 |
> |
|
253 |
> |
|
254 |
> |
static void |
255 |
> |
write_into_file(FILE *outfile, const char *opt, const char *arg, const char *values[]) |
256 |
> |
{ |
257 |
> |
FIX_UNUSED (values); |
258 |
> |
if (arg) { |
259 |
> |
fprintf(outfile, "%s=\"%s\"\n", opt, arg); |
260 |
> |
} else { |
261 |
> |
fprintf(outfile, "%s\n", opt); |
262 |
> |
} |
263 |
> |
} |
264 |
> |
|
265 |
> |
|
266 |
> |
int |
267 |
> |
cmdline_parser_dump(FILE *outfile, struct gengetopt_args_info *args_info) |
268 |
> |
{ |
269 |
> |
int i = 0; |
270 |
> |
|
271 |
> |
if (!outfile) |
272 |
|
{ |
273 |
< |
free (args_info->input_arg); /* free previous argument */ |
274 |
< |
args_info->input_arg = 0; |
273 |
> |
fprintf (stderr, "%s: cannot dump options to stream\n", CMDLINE_PARSER_PACKAGE); |
274 |
> |
return EXIT_FAILURE; |
275 |
|
} |
276 |
< |
if (args_info->input_orig) |
277 |
< |
{ |
278 |
< |
free (args_info->input_orig); /* free previous argument */ |
279 |
< |
args_info->input_orig = 0; |
280 |
< |
} |
281 |
< |
if (args_info->output_arg) |
282 |
< |
{ |
283 |
< |
free (args_info->output_arg); /* free previous argument */ |
284 |
< |
args_info->output_arg = 0; |
285 |
< |
} |
286 |
< |
if (args_info->output_orig) |
287 |
< |
{ |
288 |
< |
free (args_info->output_orig); /* free previous argument */ |
289 |
< |
args_info->output_orig = 0; |
290 |
< |
} |
291 |
< |
if (args_info->sele1_arg) |
292 |
< |
{ |
293 |
< |
free (args_info->sele1_arg); /* free previous argument */ |
294 |
< |
args_info->sele1_arg = 0; |
295 |
< |
} |
296 |
< |
if (args_info->sele1_orig) |
297 |
< |
{ |
298 |
< |
free (args_info->sele1_orig); /* free previous argument */ |
299 |
< |
args_info->sele1_orig = 0; |
300 |
< |
} |
301 |
< |
if (args_info->sele2_arg) |
302 |
< |
{ |
303 |
< |
free (args_info->sele2_arg); /* free previous argument */ |
304 |
< |
args_info->sele2_arg = 0; |
305 |
< |
} |
306 |
< |
if (args_info->sele2_orig) |
307 |
< |
{ |
308 |
< |
free (args_info->sele2_orig); /* free previous argument */ |
309 |
< |
args_info->sele2_orig = 0; |
310 |
< |
} |
311 |
< |
if (args_info->order_orig) |
312 |
< |
{ |
313 |
< |
free (args_info->order_orig); /* free previous argument */ |
314 |
< |
args_info->order_orig = 0; |
315 |
< |
} |
276 |
> |
|
277 |
> |
if (args_info->help_given) |
278 |
> |
write_into_file(outfile, "help", 0, 0 ); |
279 |
> |
if (args_info->version_given) |
280 |
> |
write_into_file(outfile, "version", 0, 0 ); |
281 |
> |
if (args_info->input_given) |
282 |
> |
write_into_file(outfile, "input", args_info->input_orig, 0); |
283 |
> |
if (args_info->output_given) |
284 |
> |
write_into_file(outfile, "output", args_info->output_orig, 0); |
285 |
> |
if (args_info->sele1_given) |
286 |
> |
write_into_file(outfile, "sele1", args_info->sele1_orig, 0); |
287 |
> |
if (args_info->sele2_given) |
288 |
> |
write_into_file(outfile, "sele2", args_info->sele2_orig, 0); |
289 |
> |
if (args_info->order_given) |
290 |
> |
write_into_file(outfile, "order", args_info->order_orig, 0); |
291 |
> |
if (args_info->memory_given) |
292 |
> |
write_into_file(outfile, "memory", args_info->memory_orig, 0); |
293 |
> |
if (args_info->selecorr_given) |
294 |
> |
write_into_file(outfile, "selecorr", 0, 0 ); |
295 |
> |
if (args_info->rcorr_given) |
296 |
> |
write_into_file(outfile, "rcorr", 0, 0 ); |
297 |
> |
if (args_info->vcorr_given) |
298 |
> |
write_into_file(outfile, "vcorr", 0, 0 ); |
299 |
> |
if (args_info->dcorr_given) |
300 |
> |
write_into_file(outfile, "dcorr", 0, 0 ); |
301 |
> |
if (args_info->lcorr_given) |
302 |
> |
write_into_file(outfile, "lcorr", 0, 0 ); |
303 |
> |
if (args_info->sdcorr_given) |
304 |
> |
write_into_file(outfile, "sdcorr", 0, 0 ); |
305 |
> |
if (args_info->r_rcorr_given) |
306 |
> |
write_into_file(outfile, "r_rcorr", 0, 0 ); |
307 |
> |
if (args_info->thetacorr_given) |
308 |
> |
write_into_file(outfile, "thetacorr", 0, 0 ); |
309 |
> |
if (args_info->drcorr_given) |
310 |
> |
write_into_file(outfile, "drcorr", 0, 0 ); |
311 |
> |
if (args_info->helfandEcorr_given) |
312 |
> |
write_into_file(outfile, "helfandEcorr", 0, 0 ); |
313 |
> |
if (args_info->momentum_given) |
314 |
> |
write_into_file(outfile, "momentum", 0, 0 ); |
315 |
> |
if (args_info->stresscorr_given) |
316 |
> |
write_into_file(outfile, "stresscorr", 0, 0 ); |
317 |
|
|
318 |
< |
clear_given (args_info); |
318 |
> |
|
319 |
> |
i = EXIT_SUCCESS; |
320 |
> |
return i; |
321 |
|
} |
322 |
|
|
323 |
|
int |
334 |
|
return EXIT_FAILURE; |
335 |
|
} |
336 |
|
|
337 |
< |
if (args_info->help_given) { |
218 |
< |
fprintf(outfile, "%s\n", "help"); |
219 |
< |
} |
220 |
< |
if (args_info->version_given) { |
221 |
< |
fprintf(outfile, "%s\n", "version"); |
222 |
< |
} |
223 |
< |
if (args_info->input_given) { |
224 |
< |
if (args_info->input_orig) { |
225 |
< |
fprintf(outfile, "%s=\"%s\"\n", "input", args_info->input_orig); |
226 |
< |
} else { |
227 |
< |
fprintf(outfile, "%s\n", "input"); |
228 |
< |
} |
229 |
< |
} |
230 |
< |
if (args_info->output_given) { |
231 |
< |
if (args_info->output_orig) { |
232 |
< |
fprintf(outfile, "%s=\"%s\"\n", "output", args_info->output_orig); |
233 |
< |
} else { |
234 |
< |
fprintf(outfile, "%s\n", "output"); |
235 |
< |
} |
236 |
< |
} |
237 |
< |
if (args_info->sele1_given) { |
238 |
< |
if (args_info->sele1_orig) { |
239 |
< |
fprintf(outfile, "%s=\"%s\"\n", "sele1", args_info->sele1_orig); |
240 |
< |
} else { |
241 |
< |
fprintf(outfile, "%s\n", "sele1"); |
242 |
< |
} |
243 |
< |
} |
244 |
< |
if (args_info->sele2_given) { |
245 |
< |
if (args_info->sele2_orig) { |
246 |
< |
fprintf(outfile, "%s=\"%s\"\n", "sele2", args_info->sele2_orig); |
247 |
< |
} else { |
248 |
< |
fprintf(outfile, "%s\n", "sele2"); |
249 |
< |
} |
250 |
< |
} |
251 |
< |
if (args_info->order_given) { |
252 |
< |
if (args_info->order_orig) { |
253 |
< |
fprintf(outfile, "%s=\"%s\"\n", "order", args_info->order_orig); |
254 |
< |
} else { |
255 |
< |
fprintf(outfile, "%s\n", "order"); |
256 |
< |
} |
257 |
< |
} |
258 |
< |
if (args_info->rcorr_given) { |
259 |
< |
fprintf(outfile, "%s\n", "rcorr"); |
260 |
< |
} |
261 |
< |
if (args_info->vcorr_given) { |
262 |
< |
fprintf(outfile, "%s\n", "vcorr"); |
263 |
< |
} |
264 |
< |
if (args_info->dcorr_given) { |
265 |
< |
fprintf(outfile, "%s\n", "dcorr"); |
266 |
< |
} |
267 |
< |
if (args_info->lcorr_given) { |
268 |
< |
fprintf(outfile, "%s\n", "lcorr"); |
269 |
< |
} |
270 |
< |
if (args_info->r_rcorr_given) { |
271 |
< |
fprintf(outfile, "%s\n", "r_rcorr"); |
272 |
< |
} |
273 |
< |
if (args_info->thetacorr_given) { |
274 |
< |
fprintf(outfile, "%s\n", "thetacorr"); |
275 |
< |
} |
276 |
< |
if (args_info->drcorr_given) { |
277 |
< |
fprintf(outfile, "%s\n", "drcorr"); |
278 |
< |
} |
279 |
< |
|
337 |
> |
i = cmdline_parser_dump(outfile, args_info); |
338 |
|
fclose (outfile); |
339 |
|
|
282 |
– |
i = EXIT_SUCCESS; |
340 |
|
return i; |
341 |
|
} |
342 |
|
|
346 |
|
cmdline_parser_release (args_info); |
347 |
|
} |
348 |
|
|
349 |
< |
|
293 |
< |
/* gengetopt_strdup() */ |
294 |
< |
/* strdup.c replacement of strdup, which is not standard */ |
349 |
> |
/** @brief replacement of strdup, which is not standard */ |
350 |
|
char * |
351 |
|
gengetopt_strdup (const char *s) |
352 |
|
{ |
353 |
< |
char *result = NULL; |
353 |
> |
char *result = 0; |
354 |
|
if (!s) |
355 |
|
return result; |
356 |
|
|
362 |
|
} |
363 |
|
|
364 |
|
static void |
310 |
– |
reset_group_dynamicProps(struct gengetopt_args_info *args_info); |
311 |
– |
|
312 |
– |
static void |
365 |
|
reset_group_dynamicProps(struct gengetopt_args_info *args_info) |
366 |
|
{ |
367 |
|
if (! args_info->dynamicProps_group_counter) |
368 |
|
return; |
369 |
|
|
370 |
+ |
args_info->selecorr_given = 0 ; |
371 |
|
args_info->rcorr_given = 0 ; |
372 |
|
args_info->vcorr_given = 0 ; |
373 |
|
args_info->dcorr_given = 0 ; |
374 |
|
args_info->lcorr_given = 0 ; |
375 |
+ |
args_info->sdcorr_given = 0 ; |
376 |
|
args_info->r_rcorr_given = 0 ; |
377 |
|
args_info->thetacorr_given = 0 ; |
378 |
|
args_info->drcorr_given = 0 ; |
379 |
+ |
args_info->helfandEcorr_given = 0 ; |
380 |
+ |
args_info->momentum_given = 0 ; |
381 |
+ |
args_info->stresscorr_given = 0 ; |
382 |
|
|
383 |
|
args_info->dynamicProps_group_counter = 0; |
384 |
|
} |
385 |
|
|
386 |
|
int |
387 |
< |
cmdline_parser (int argc, char * const *argv, struct gengetopt_args_info *args_info) |
387 |
> |
cmdline_parser (int argc, char **argv, struct gengetopt_args_info *args_info) |
388 |
|
{ |
389 |
|
return cmdline_parser2 (argc, argv, args_info, 0, 1, 1); |
390 |
|
} |
391 |
|
|
392 |
|
int |
393 |
< |
cmdline_parser2 (int argc, char * const *argv, struct gengetopt_args_info *args_info, int override, int initialize, int check_required) |
393 |
> |
cmdline_parser_ext (int argc, char **argv, struct gengetopt_args_info *args_info, |
394 |
> |
struct cmdline_parser_params *params) |
395 |
|
{ |
396 |
|
int result; |
397 |
+ |
result = cmdline_parser_internal (argc, argv, args_info, params, 0); |
398 |
|
|
399 |
< |
result = cmdline_parser_internal (argc, argv, args_info, override, initialize, check_required, NULL); |
399 |
> |
if (result == EXIT_FAILURE) |
400 |
> |
{ |
401 |
> |
cmdline_parser_free (args_info); |
402 |
> |
exit (EXIT_FAILURE); |
403 |
> |
} |
404 |
> |
|
405 |
> |
return result; |
406 |
> |
} |
407 |
|
|
408 |
+ |
int |
409 |
+ |
cmdline_parser2 (int argc, char **argv, struct gengetopt_args_info *args_info, int override, int initialize, int check_required) |
410 |
+ |
{ |
411 |
+ |
int result; |
412 |
+ |
struct cmdline_parser_params params; |
413 |
+ |
|
414 |
+ |
params.override = override; |
415 |
+ |
params.initialize = initialize; |
416 |
+ |
params.check_required = check_required; |
417 |
+ |
params.check_ambiguity = 0; |
418 |
+ |
params.print_errors = 1; |
419 |
+ |
|
420 |
+ |
result = cmdline_parser_internal (argc, argv, args_info, ¶ms, 0); |
421 |
+ |
|
422 |
|
if (result == EXIT_FAILURE) |
423 |
|
{ |
424 |
|
cmdline_parser_free (args_info); |
433 |
|
{ |
434 |
|
int result = EXIT_SUCCESS; |
435 |
|
|
436 |
< |
if (cmdline_parser_required2(args_info, prog_name, NULL) > 0) |
436 |
> |
if (cmdline_parser_required2(args_info, prog_name, 0) > 0) |
437 |
|
result = EXIT_FAILURE; |
438 |
|
|
439 |
|
if (result == EXIT_FAILURE) |
449 |
|
cmdline_parser_required2 (struct gengetopt_args_info *args_info, const char *prog_name, const char *additional_error) |
450 |
|
{ |
451 |
|
int error = 0; |
452 |
+ |
FIX_UNUSED (additional_error); |
453 |
|
|
454 |
|
/* checks for required options */ |
455 |
|
if (! args_info->input_given) |
460 |
|
|
461 |
|
if (args_info->dynamicProps_group_counter == 0) |
462 |
|
{ |
463 |
< |
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 : "")); |
463 |
> |
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 : "")); |
464 |
|
error = 1; |
465 |
|
} |
466 |
|
|
468 |
|
/* checks for dependences among options */ |
469 |
|
|
470 |
|
return error; |
471 |
+ |
} |
472 |
+ |
|
473 |
+ |
|
474 |
+ |
static char *package_name = 0; |
475 |
+ |
|
476 |
+ |
/** |
477 |
+ |
* @brief updates an option |
478 |
+ |
* @param field the generic pointer to the field to update |
479 |
+ |
* @param orig_field the pointer to the orig field |
480 |
+ |
* @param field_given the pointer to the number of occurrence of this option |
481 |
+ |
* @param prev_given the pointer to the number of occurrence already seen |
482 |
+ |
* @param value the argument for this option (if null no arg was specified) |
483 |
+ |
* @param possible_values the possible values for this option (if specified) |
484 |
+ |
* @param default_value the default value (in case the option only accepts fixed values) |
485 |
+ |
* @param arg_type the type of this option |
486 |
+ |
* @param check_ambiguity @see cmdline_parser_params.check_ambiguity |
487 |
+ |
* @param override @see cmdline_parser_params.override |
488 |
+ |
* @param no_free whether to free a possible previous value |
489 |
+ |
* @param multiple_option whether this is a multiple option |
490 |
+ |
* @param long_opt the corresponding long option |
491 |
+ |
* @param short_opt the corresponding short option (or '-' if none) |
492 |
+ |
* @param additional_error possible further error specification |
493 |
+ |
*/ |
494 |
+ |
static |
495 |
+ |
int update_arg(void *field, char **orig_field, |
496 |
+ |
unsigned int *field_given, unsigned int *prev_given, |
497 |
+ |
char *value, const char *possible_values[], |
498 |
+ |
const char *default_value, |
499 |
+ |
cmdline_parser_arg_type arg_type, |
500 |
+ |
int check_ambiguity, int override, |
501 |
+ |
int no_free, int multiple_option, |
502 |
+ |
const char *long_opt, char short_opt, |
503 |
+ |
const char *additional_error) |
504 |
+ |
{ |
505 |
+ |
char *stop_char = 0; |
506 |
+ |
const char *val = value; |
507 |
+ |
int found; |
508 |
+ |
char **string_field; |
509 |
+ |
FIX_UNUSED (field); |
510 |
+ |
|
511 |
+ |
stop_char = 0; |
512 |
+ |
found = 0; |
513 |
+ |
|
514 |
+ |
if (!multiple_option && prev_given && (*prev_given || (check_ambiguity && *field_given))) |
515 |
+ |
{ |
516 |
+ |
if (short_opt != '-') |
517 |
+ |
fprintf (stderr, "%s: `--%s' (`-%c') option given more than once%s\n", |
518 |
+ |
package_name, long_opt, short_opt, |
519 |
+ |
(additional_error ? additional_error : "")); |
520 |
+ |
else |
521 |
+ |
fprintf (stderr, "%s: `--%s' option given more than once%s\n", |
522 |
+ |
package_name, long_opt, |
523 |
+ |
(additional_error ? additional_error : "")); |
524 |
+ |
return 1; /* failure */ |
525 |
+ |
} |
526 |
+ |
|
527 |
+ |
FIX_UNUSED (default_value); |
528 |
+ |
|
529 |
+ |
if (field_given && *field_given && ! override) |
530 |
+ |
return 0; |
531 |
+ |
if (prev_given) |
532 |
+ |
(*prev_given)++; |
533 |
+ |
if (field_given) |
534 |
+ |
(*field_given)++; |
535 |
+ |
if (possible_values) |
536 |
+ |
val = possible_values[found]; |
537 |
+ |
|
538 |
+ |
switch(arg_type) { |
539 |
+ |
case ARG_INT: |
540 |
+ |
if (val) *((int *)field) = strtol (val, &stop_char, 0); |
541 |
+ |
break; |
542 |
+ |
case ARG_STRING: |
543 |
+ |
if (val) { |
544 |
+ |
string_field = (char **)field; |
545 |
+ |
if (!no_free && *string_field) |
546 |
+ |
free (*string_field); /* free previous string */ |
547 |
+ |
*string_field = gengetopt_strdup (val); |
548 |
+ |
} |
549 |
+ |
break; |
550 |
+ |
default: |
551 |
+ |
break; |
552 |
+ |
}; |
553 |
+ |
|
554 |
+ |
/* check numeric conversion */ |
555 |
+ |
switch(arg_type) { |
556 |
+ |
case ARG_INT: |
557 |
+ |
if (val && !(stop_char && *stop_char == '\0')) { |
558 |
+ |
fprintf(stderr, "%s: invalid numeric value: %s\n", package_name, val); |
559 |
+ |
return 1; /* failure */ |
560 |
+ |
} |
561 |
+ |
break; |
562 |
+ |
default: |
563 |
+ |
; |
564 |
+ |
}; |
565 |
+ |
|
566 |
+ |
/* store the original value */ |
567 |
+ |
switch(arg_type) { |
568 |
+ |
case ARG_NO: |
569 |
+ |
break; |
570 |
+ |
default: |
571 |
+ |
if (value && orig_field) { |
572 |
+ |
if (no_free) { |
573 |
+ |
*orig_field = value; |
574 |
+ |
} else { |
575 |
+ |
if (*orig_field) |
576 |
+ |
free (*orig_field); /* free previous string */ |
577 |
+ |
*orig_field = gengetopt_strdup (value); |
578 |
+ |
} |
579 |
+ |
} |
580 |
+ |
}; |
581 |
+ |
|
582 |
+ |
return 0; /* OK */ |
583 |
|
} |
584 |
|
|
585 |
+ |
|
586 |
|
int |
587 |
< |
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) |
587 |
> |
cmdline_parser_internal ( |
588 |
> |
int argc, char **argv, struct gengetopt_args_info *args_info, |
589 |
> |
struct cmdline_parser_params *params, const char *additional_error) |
590 |
|
{ |
591 |
|
int c; /* Character of the parsed option. */ |
592 |
|
|
593 |
|
int error = 0; |
594 |
|
struct gengetopt_args_info local_args_info; |
595 |
+ |
|
596 |
+ |
int override; |
597 |
+ |
int initialize; |
598 |
+ |
int check_required; |
599 |
+ |
int check_ambiguity; |
600 |
+ |
|
601 |
+ |
package_name = argv[0]; |
602 |
+ |
|
603 |
+ |
override = params->override; |
604 |
+ |
initialize = params->initialize; |
605 |
+ |
check_required = params->check_required; |
606 |
+ |
check_ambiguity = params->check_ambiguity; |
607 |
|
|
608 |
|
if (initialize) |
609 |
|
cmdline_parser_init (args_info); |
612 |
|
|
613 |
|
optarg = 0; |
614 |
|
optind = 0; |
615 |
< |
opterr = 1; |
615 |
> |
opterr = params->print_errors; |
616 |
|
optopt = '?'; |
617 |
|
|
618 |
|
while (1) |
619 |
|
{ |
620 |
|
int option_index = 0; |
413 |
– |
char *stop_char; |
621 |
|
|
622 |
|
static struct option long_options[] = { |
623 |
|
{ "help", 0, NULL, 'h' }, |
627 |
|
{ "sele1", 1, NULL, 0 }, |
628 |
|
{ "sele2", 1, NULL, 0 }, |
629 |
|
{ "order", 1, NULL, 0 }, |
630 |
+ |
{ "memory", 1, NULL, 'm' }, |
631 |
+ |
{ "selecorr", 0, NULL, 's' }, |
632 |
|
{ "rcorr", 0, NULL, 'r' }, |
633 |
|
{ "vcorr", 0, NULL, 'v' }, |
634 |
|
{ "dcorr", 0, NULL, 'd' }, |
635 |
|
{ "lcorr", 0, NULL, 'l' }, |
636 |
+ |
{ "sdcorr", 0, NULL, 'M' }, |
637 |
|
{ "r_rcorr", 0, NULL, 0 }, |
638 |
|
{ "thetacorr", 0, NULL, 0 }, |
639 |
|
{ "drcorr", 0, NULL, 0 }, |
640 |
< |
{ NULL, 0, NULL, 0 } |
640 |
> |
{ "helfandEcorr", 0, NULL, 0 }, |
641 |
> |
{ "momentum", 0, NULL, 'p' }, |
642 |
> |
{ "stresscorr", 0, NULL, 0 }, |
643 |
> |
{ 0, 0, 0, 0 } |
644 |
|
}; |
645 |
|
|
646 |
< |
stop_char = 0; |
434 |
< |
c = getopt_long (argc, argv, "hVi:o:rvdl", long_options, &option_index); |
646 |
> |
c = getopt_long (argc, argv, "hVi:o:m:srvdlMp", long_options, &option_index); |
647 |
|
|
648 |
|
if (c == -1) break; /* Exit from `while (1)' loop. */ |
649 |
|
|
660 |
|
exit (EXIT_SUCCESS); |
661 |
|
|
662 |
|
case 'i': /* input dump file. */ |
663 |
< |
if (local_args_info.input_given) |
664 |
< |
{ |
665 |
< |
fprintf (stderr, "%s: `--input' (`-i') option given more than once%s\n", argv[0], (additional_error ? additional_error : "")); |
666 |
< |
goto failure; |
667 |
< |
} |
668 |
< |
if (args_info->input_given && ! override) |
669 |
< |
continue; |
670 |
< |
local_args_info.input_given = 1; |
671 |
< |
args_info->input_given = 1; |
672 |
< |
if (args_info->input_arg) |
461 |
< |
free (args_info->input_arg); /* free previous string */ |
462 |
< |
args_info->input_arg = gengetopt_strdup (optarg); |
463 |
< |
if (args_info->input_orig) |
464 |
< |
free (args_info->input_orig); /* free previous string */ |
465 |
< |
args_info->input_orig = gengetopt_strdup (optarg); |
663 |
> |
|
664 |
> |
|
665 |
> |
if (update_arg( (void *)&(args_info->input_arg), |
666 |
> |
&(args_info->input_orig), &(args_info->input_given), |
667 |
> |
&(local_args_info.input_given), optarg, 0, 0, ARG_STRING, |
668 |
> |
check_ambiguity, override, 0, 0, |
669 |
> |
"input", 'i', |
670 |
> |
additional_error)) |
671 |
> |
goto failure; |
672 |
> |
|
673 |
|
break; |
467 |
– |
|
674 |
|
case 'o': /* output file name. */ |
675 |
< |
if (local_args_info.output_given) |
676 |
< |
{ |
677 |
< |
fprintf (stderr, "%s: `--output' (`-o') option given more than once%s\n", argv[0], (additional_error ? additional_error : "")); |
678 |
< |
goto failure; |
679 |
< |
} |
680 |
< |
if (args_info->output_given && ! override) |
681 |
< |
continue; |
682 |
< |
local_args_info.output_given = 1; |
683 |
< |
args_info->output_given = 1; |
684 |
< |
if (args_info->output_arg) |
479 |
< |
free (args_info->output_arg); /* free previous string */ |
480 |
< |
args_info->output_arg = gengetopt_strdup (optarg); |
481 |
< |
if (args_info->output_orig) |
482 |
< |
free (args_info->output_orig); /* free previous string */ |
483 |
< |
args_info->output_orig = gengetopt_strdup (optarg); |
675 |
> |
|
676 |
> |
|
677 |
> |
if (update_arg( (void *)&(args_info->output_arg), |
678 |
> |
&(args_info->output_orig), &(args_info->output_given), |
679 |
> |
&(local_args_info.output_given), optarg, 0, 0, ARG_STRING, |
680 |
> |
check_ambiguity, override, 0, 0, |
681 |
> |
"output", 'o', |
682 |
> |
additional_error)) |
683 |
> |
goto failure; |
684 |
> |
|
685 |
|
break; |
686 |
< |
|
686 |
> |
case 'm': /* Available memory (defaults to 2G). */ |
687 |
> |
|
688 |
> |
|
689 |
> |
if (update_arg( (void *)&(args_info->memory_arg), |
690 |
> |
&(args_info->memory_orig), &(args_info->memory_given), |
691 |
> |
&(local_args_info.memory_given), optarg, 0, "2G", ARG_STRING, |
692 |
> |
check_ambiguity, override, 0, 0, |
693 |
> |
"memory", 'm', |
694 |
> |
additional_error)) |
695 |
> |
goto failure; |
696 |
> |
|
697 |
> |
break; |
698 |
> |
case 's': /* selection correlation function. */ |
699 |
> |
|
700 |
> |
if (args_info->dynamicProps_group_counter && override) |
701 |
> |
reset_group_dynamicProps (args_info); |
702 |
> |
args_info->dynamicProps_group_counter += 1; |
703 |
> |
|
704 |
> |
if (update_arg( 0 , |
705 |
> |
0 , &(args_info->selecorr_given), |
706 |
> |
&(local_args_info.selecorr_given), optarg, 0, 0, ARG_NO, |
707 |
> |
check_ambiguity, override, 0, 0, |
708 |
> |
"selecorr", 's', |
709 |
> |
additional_error)) |
710 |
> |
goto failure; |
711 |
> |
|
712 |
> |
break; |
713 |
|
case 'r': /* rmsd. */ |
714 |
< |
if (local_args_info.rcorr_given) |
488 |
< |
{ |
489 |
< |
fprintf (stderr, "%s: `--rcorr' (`-r') option given more than once%s\n", argv[0], (additional_error ? additional_error : "")); |
490 |
< |
goto failure; |
491 |
< |
} |
492 |
< |
if (args_info->rcorr_given && ! override) |
493 |
< |
continue; |
494 |
< |
local_args_info.rcorr_given = 1; |
495 |
< |
args_info->rcorr_given = 1; |
714 |
> |
|
715 |
|
if (args_info->dynamicProps_group_counter && override) |
716 |
|
reset_group_dynamicProps (args_info); |
717 |
|
args_info->dynamicProps_group_counter += 1; |
718 |
+ |
|
719 |
+ |
if (update_arg( 0 , |
720 |
+ |
0 , &(args_info->rcorr_given), |
721 |
+ |
&(local_args_info.rcorr_given), optarg, 0, 0, ARG_NO, |
722 |
+ |
check_ambiguity, override, 0, 0, |
723 |
+ |
"rcorr", 'r', |
724 |
+ |
additional_error)) |
725 |
+ |
goto failure; |
726 |
+ |
|
727 |
|
break; |
500 |
– |
|
728 |
|
case 'v': /* velocity correlation function. */ |
729 |
< |
if (local_args_info.vcorr_given) |
503 |
< |
{ |
504 |
< |
fprintf (stderr, "%s: `--vcorr' (`-v') option given more than once%s\n", argv[0], (additional_error ? additional_error : "")); |
505 |
< |
goto failure; |
506 |
< |
} |
507 |
< |
if (args_info->vcorr_given && ! override) |
508 |
< |
continue; |
509 |
< |
local_args_info.vcorr_given = 1; |
510 |
< |
args_info->vcorr_given = 1; |
729 |
> |
|
730 |
|
if (args_info->dynamicProps_group_counter && override) |
731 |
|
reset_group_dynamicProps (args_info); |
732 |
|
args_info->dynamicProps_group_counter += 1; |
733 |
+ |
|
734 |
+ |
if (update_arg( 0 , |
735 |
+ |
0 , &(args_info->vcorr_given), |
736 |
+ |
&(local_args_info.vcorr_given), optarg, 0, 0, ARG_NO, |
737 |
+ |
check_ambiguity, override, 0, 0, |
738 |
+ |
"vcorr", 'v', |
739 |
+ |
additional_error)) |
740 |
+ |
goto failure; |
741 |
+ |
|
742 |
|
break; |
515 |
– |
|
743 |
|
case 'd': /* dipole correlation function. */ |
744 |
< |
if (local_args_info.dcorr_given) |
518 |
< |
{ |
519 |
< |
fprintf (stderr, "%s: `--dcorr' (`-d') option given more than once%s\n", argv[0], (additional_error ? additional_error : "")); |
520 |
< |
goto failure; |
521 |
< |
} |
522 |
< |
if (args_info->dcorr_given && ! override) |
523 |
< |
continue; |
524 |
< |
local_args_info.dcorr_given = 1; |
525 |
< |
args_info->dcorr_given = 1; |
744 |
> |
|
745 |
|
if (args_info->dynamicProps_group_counter && override) |
746 |
|
reset_group_dynamicProps (args_info); |
747 |
|
args_info->dynamicProps_group_counter += 1; |
748 |
+ |
|
749 |
+ |
if (update_arg( 0 , |
750 |
+ |
0 , &(args_info->dcorr_given), |
751 |
+ |
&(local_args_info.dcorr_given), optarg, 0, 0, ARG_NO, |
752 |
+ |
check_ambiguity, override, 0, 0, |
753 |
+ |
"dcorr", 'd', |
754 |
+ |
additional_error)) |
755 |
+ |
goto failure; |
756 |
+ |
|
757 |
|
break; |
530 |
– |
|
758 |
|
case 'l': /* Lengendre correlation function. */ |
759 |
< |
if (local_args_info.lcorr_given) |
533 |
< |
{ |
534 |
< |
fprintf (stderr, "%s: `--lcorr' (`-l') option given more than once%s\n", argv[0], (additional_error ? additional_error : "")); |
535 |
< |
goto failure; |
536 |
< |
} |
537 |
< |
if (args_info->lcorr_given && ! override) |
538 |
< |
continue; |
539 |
< |
local_args_info.lcorr_given = 1; |
540 |
< |
args_info->lcorr_given = 1; |
759 |
> |
|
760 |
|
if (args_info->dynamicProps_group_counter && override) |
761 |
|
reset_group_dynamicProps (args_info); |
762 |
|
args_info->dynamicProps_group_counter += 1; |
763 |
+ |
|
764 |
+ |
if (update_arg( 0 , |
765 |
+ |
0 , &(args_info->lcorr_given), |
766 |
+ |
&(local_args_info.lcorr_given), optarg, 0, 0, ARG_NO, |
767 |
+ |
check_ambiguity, override, 0, 0, |
768 |
+ |
"lcorr", 'l', |
769 |
+ |
additional_error)) |
770 |
+ |
goto failure; |
771 |
+ |
|
772 |
|
break; |
773 |
< |
|
773 |
> |
case 'M': /* System dipole correlation function. */ |
774 |
> |
|
775 |
> |
if (args_info->dynamicProps_group_counter && override) |
776 |
> |
reset_group_dynamicProps (args_info); |
777 |
> |
args_info->dynamicProps_group_counter += 1; |
778 |
> |
|
779 |
> |
if (update_arg( 0 , |
780 |
> |
0 , &(args_info->sdcorr_given), |
781 |
> |
&(local_args_info.sdcorr_given), optarg, 0, 0, ARG_NO, |
782 |
> |
check_ambiguity, override, 0, 0, |
783 |
> |
"sdcorr", 'M', |
784 |
> |
additional_error)) |
785 |
> |
goto failure; |
786 |
> |
|
787 |
> |
break; |
788 |
> |
case 'p': /* Helfand momentum for viscosity. */ |
789 |
> |
|
790 |
> |
if (args_info->dynamicProps_group_counter && override) |
791 |
> |
reset_group_dynamicProps (args_info); |
792 |
> |
args_info->dynamicProps_group_counter += 1; |
793 |
> |
|
794 |
> |
if (update_arg( 0 , |
795 |
> |
0 , &(args_info->momentum_given), |
796 |
> |
&(local_args_info.momentum_given), optarg, 0, 0, ARG_NO, |
797 |
> |
check_ambiguity, override, 0, 0, |
798 |
> |
"momentum", 'p', |
799 |
> |
additional_error)) |
800 |
> |
goto failure; |
801 |
> |
|
802 |
> |
break; |
803 |
|
|
804 |
|
case 0: /* Long option with no short option */ |
805 |
|
/* select first stuntdouble set. */ |
806 |
|
if (strcmp (long_options[option_index].name, "sele1") == 0) |
807 |
|
{ |
808 |
< |
if (local_args_info.sele1_given) |
809 |
< |
{ |
810 |
< |
fprintf (stderr, "%s: `--sele1' option given more than once%s\n", argv[0], (additional_error ? additional_error : "")); |
811 |
< |
goto failure; |
812 |
< |
} |
813 |
< |
if (args_info->sele1_given && ! override) |
814 |
< |
continue; |
815 |
< |
local_args_info.sele1_given = 1; |
816 |
< |
args_info->sele1_given = 1; |
817 |
< |
if (args_info->sele1_arg) |
561 |
< |
free (args_info->sele1_arg); /* free previous string */ |
562 |
< |
args_info->sele1_arg = gengetopt_strdup (optarg); |
563 |
< |
if (args_info->sele1_orig) |
564 |
< |
free (args_info->sele1_orig); /* free previous string */ |
565 |
< |
args_info->sele1_orig = gengetopt_strdup (optarg); |
808 |
> |
|
809 |
> |
|
810 |
> |
if (update_arg( (void *)&(args_info->sele1_arg), |
811 |
> |
&(args_info->sele1_orig), &(args_info->sele1_given), |
812 |
> |
&(local_args_info.sele1_given), optarg, 0, 0, ARG_STRING, |
813 |
> |
check_ambiguity, override, 0, 0, |
814 |
> |
"sele1", '-', |
815 |
> |
additional_error)) |
816 |
> |
goto failure; |
817 |
> |
|
818 |
|
} |
819 |
|
/* select second stuntdouble set (if sele2 is not set, use script from sele1). */ |
820 |
|
else if (strcmp (long_options[option_index].name, "sele2") == 0) |
821 |
|
{ |
822 |
< |
if (local_args_info.sele2_given) |
823 |
< |
{ |
824 |
< |
fprintf (stderr, "%s: `--sele2' option given more than once%s\n", argv[0], (additional_error ? additional_error : "")); |
825 |
< |
goto failure; |
826 |
< |
} |
827 |
< |
if (args_info->sele2_given && ! override) |
828 |
< |
continue; |
829 |
< |
local_args_info.sele2_given = 1; |
830 |
< |
args_info->sele2_given = 1; |
831 |
< |
if (args_info->sele2_arg) |
580 |
< |
free (args_info->sele2_arg); /* free previous string */ |
581 |
< |
args_info->sele2_arg = gengetopt_strdup (optarg); |
582 |
< |
if (args_info->sele2_orig) |
583 |
< |
free (args_info->sele2_orig); /* free previous string */ |
584 |
< |
args_info->sele2_orig = gengetopt_strdup (optarg); |
822 |
> |
|
823 |
> |
|
824 |
> |
if (update_arg( (void *)&(args_info->sele2_arg), |
825 |
> |
&(args_info->sele2_orig), &(args_info->sele2_given), |
826 |
> |
&(local_args_info.sele2_given), optarg, 0, 0, ARG_STRING, |
827 |
> |
check_ambiguity, override, 0, 0, |
828 |
> |
"sele2", '-', |
829 |
> |
additional_error)) |
830 |
> |
goto failure; |
831 |
> |
|
832 |
|
} |
833 |
|
/* Lengendre Polynomial Order. */ |
834 |
|
else if (strcmp (long_options[option_index].name, "order") == 0) |
835 |
|
{ |
836 |
< |
if (local_args_info.order_given) |
837 |
< |
{ |
838 |
< |
fprintf (stderr, "%s: `--order' option given more than once%s\n", argv[0], (additional_error ? additional_error : "")); |
839 |
< |
goto failure; |
840 |
< |
} |
841 |
< |
if (args_info->order_given && ! override) |
842 |
< |
continue; |
843 |
< |
local_args_info.order_given = 1; |
597 |
< |
args_info->order_given = 1; |
598 |
< |
args_info->order_arg = strtol (optarg, &stop_char, 0); |
599 |
< |
if (!(stop_char && *stop_char == '\0')) { |
600 |
< |
fprintf(stderr, "%s: invalid numeric value: %s\n", argv[0], optarg); |
836 |
> |
|
837 |
> |
|
838 |
> |
if (update_arg( (void *)&(args_info->order_arg), |
839 |
> |
&(args_info->order_orig), &(args_info->order_given), |
840 |
> |
&(local_args_info.order_given), optarg, 0, 0, ARG_INT, |
841 |
> |
check_ambiguity, override, 0, 0, |
842 |
> |
"order", '-', |
843 |
> |
additional_error)) |
844 |
|
goto failure; |
845 |
< |
} |
603 |
< |
if (args_info->order_orig) |
604 |
< |
free (args_info->order_orig); /* free previous string */ |
605 |
< |
args_info->order_orig = gengetopt_strdup (optarg); |
845 |
> |
|
846 |
|
} |
847 |
|
/* Radial rmsd. */ |
848 |
|
else if (strcmp (long_options[option_index].name, "r_rcorr") == 0) |
849 |
|
{ |
850 |
< |
if (local_args_info.r_rcorr_given) |
611 |
< |
{ |
612 |
< |
fprintf (stderr, "%s: `--r_rcorr' option given more than once%s\n", argv[0], (additional_error ? additional_error : "")); |
613 |
< |
goto failure; |
614 |
< |
} |
615 |
< |
if (args_info->r_rcorr_given && ! override) |
616 |
< |
continue; |
617 |
< |
local_args_info.r_rcorr_given = 1; |
618 |
< |
args_info->r_rcorr_given = 1; |
850 |
> |
|
851 |
|
if (args_info->dynamicProps_group_counter && override) |
852 |
|
reset_group_dynamicProps (args_info); |
853 |
|
args_info->dynamicProps_group_counter += 1; |
854 |
< |
break; |
854 |
> |
|
855 |
> |
if (update_arg( 0 , |
856 |
> |
0 , &(args_info->r_rcorr_given), |
857 |
> |
&(local_args_info.r_rcorr_given), optarg, 0, 0, ARG_NO, |
858 |
> |
check_ambiguity, override, 0, 0, |
859 |
> |
"r_rcorr", '-', |
860 |
> |
additional_error)) |
861 |
> |
goto failure; |
862 |
> |
|
863 |
|
} |
864 |
|
/* Angular rmsd. */ |
865 |
|
else if (strcmp (long_options[option_index].name, "thetacorr") == 0) |
866 |
|
{ |
867 |
< |
if (local_args_info.thetacorr_given) |
628 |
< |
{ |
629 |
< |
fprintf (stderr, "%s: `--thetacorr' option given more than once%s\n", argv[0], (additional_error ? additional_error : "")); |
630 |
< |
goto failure; |
631 |
< |
} |
632 |
< |
if (args_info->thetacorr_given && ! override) |
633 |
< |
continue; |
634 |
< |
local_args_info.thetacorr_given = 1; |
635 |
< |
args_info->thetacorr_given = 1; |
867 |
> |
|
868 |
|
if (args_info->dynamicProps_group_counter && override) |
869 |
|
reset_group_dynamicProps (args_info); |
870 |
|
args_info->dynamicProps_group_counter += 1; |
871 |
< |
break; |
871 |
> |
|
872 |
> |
if (update_arg( 0 , |
873 |
> |
0 , &(args_info->thetacorr_given), |
874 |
> |
&(local_args_info.thetacorr_given), optarg, 0, 0, ARG_NO, |
875 |
> |
check_ambiguity, override, 0, 0, |
876 |
> |
"thetacorr", '-', |
877 |
> |
additional_error)) |
878 |
> |
goto failure; |
879 |
> |
|
880 |
|
} |
881 |
|
/* Directional rmsd for particles with unit vectors. */ |
882 |
|
else if (strcmp (long_options[option_index].name, "drcorr") == 0) |
883 |
|
{ |
884 |
< |
if (local_args_info.drcorr_given) |
645 |
< |
{ |
646 |
< |
fprintf (stderr, "%s: `--drcorr' option given more than once%s\n", argv[0], (additional_error ? additional_error : "")); |
647 |
< |
goto failure; |
648 |
< |
} |
649 |
< |
if (args_info->drcorr_given && ! override) |
650 |
< |
continue; |
651 |
< |
local_args_info.drcorr_given = 1; |
652 |
< |
args_info->drcorr_given = 1; |
884 |
> |
|
885 |
|
if (args_info->dynamicProps_group_counter && override) |
886 |
|
reset_group_dynamicProps (args_info); |
887 |
|
args_info->dynamicProps_group_counter += 1; |
888 |
< |
break; |
888 |
> |
|
889 |
> |
if (update_arg( 0 , |
890 |
> |
0 , &(args_info->drcorr_given), |
891 |
> |
&(local_args_info.drcorr_given), optarg, 0, 0, ARG_NO, |
892 |
> |
check_ambiguity, override, 0, 0, |
893 |
> |
"drcorr", '-', |
894 |
> |
additional_error)) |
895 |
> |
goto failure; |
896 |
> |
|
897 |
|
} |
898 |
+ |
/* Helfand moment for thermal conductvity. */ |
899 |
+ |
else if (strcmp (long_options[option_index].name, "helfandEcorr") == 0) |
900 |
+ |
{ |
901 |
|
|
902 |
+ |
if (args_info->dynamicProps_group_counter && override) |
903 |
+ |
reset_group_dynamicProps (args_info); |
904 |
+ |
args_info->dynamicProps_group_counter += 1; |
905 |
+ |
|
906 |
+ |
if (update_arg( 0 , |
907 |
+ |
0 , &(args_info->helfandEcorr_given), |
908 |
+ |
&(local_args_info.helfandEcorr_given), optarg, 0, 0, ARG_NO, |
909 |
+ |
check_ambiguity, override, 0, 0, |
910 |
+ |
"helfandEcorr", '-', |
911 |
+ |
additional_error)) |
912 |
+ |
goto failure; |
913 |
+ |
|
914 |
+ |
} |
915 |
+ |
/* Stress tensor correlation function. */ |
916 |
+ |
else if (strcmp (long_options[option_index].name, "stresscorr") == 0) |
917 |
+ |
{ |
918 |
+ |
|
919 |
+ |
if (args_info->dynamicProps_group_counter && override) |
920 |
+ |
reset_group_dynamicProps (args_info); |
921 |
+ |
args_info->dynamicProps_group_counter += 1; |
922 |
+ |
|
923 |
+ |
if (update_arg( 0 , |
924 |
+ |
0 , &(args_info->stresscorr_given), |
925 |
+ |
&(local_args_info.stresscorr_given), optarg, 0, 0, ARG_NO, |
926 |
+ |
check_ambiguity, override, 0, 0, |
927 |
+ |
"stresscorr", '-', |
928 |
+ |
additional_error)) |
929 |
+ |
goto failure; |
930 |
+ |
|
931 |
+ |
} |
932 |
+ |
|
933 |
|
break; |
934 |
|
case '?': /* Invalid option. */ |
935 |
|
/* `getopt_long' already printed an error message. */ |
943 |
|
|
944 |
|
if (args_info->dynamicProps_group_counter > 1) |
945 |
|
{ |
946 |
< |
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 : "")); |
946 |
> |
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 : "")); |
947 |
|
error = 1; |
948 |
|
} |
949 |
|
|
959 |
|
if ( error ) |
960 |
|
return (EXIT_FAILURE); |
961 |
|
|
962 |
+ |
if (optind < argc) |
963 |
+ |
{ |
964 |
+ |
int i = 0 ; |
965 |
+ |
int found_prog_name = 0; |
966 |
+ |
/* whether program name, i.e., argv[0], is in the remaining args |
967 |
+ |
(this may happen with some implementations of getopt, |
968 |
+ |
but surely not with the one included by gengetopt) */ |
969 |
+ |
|
970 |
+ |
i = optind; |
971 |
+ |
while (i < argc) |
972 |
+ |
if (argv[i++] == argv[0]) { |
973 |
+ |
found_prog_name = 1; |
974 |
+ |
break; |
975 |
+ |
} |
976 |
+ |
i = 0; |
977 |
+ |
|
978 |
+ |
args_info->inputs_num = argc - optind - found_prog_name; |
979 |
+ |
args_info->inputs = |
980 |
+ |
(char **)(malloc ((args_info->inputs_num)*sizeof(char *))) ; |
981 |
+ |
while (optind < argc) |
982 |
+ |
if (argv[optind++] != argv[0]) |
983 |
+ |
args_info->inputs[ i++ ] = gengetopt_strdup (argv[optind-1]) ; |
984 |
+ |
} |
985 |
+ |
|
986 |
|
return 0; |
987 |
|
|
988 |
|
failure: |