# | Line 1 | Line 1 | |
---|---|---|
1 | /* | |
2 | < | File autogenerated by gengetopt version 2.14 |
2 | > | File autogenerated by gengetopt version 2.22.4 |
3 | generated with the following command: | |
4 | < | gengetopt -i DynamicProps.ggo -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: | |
# | Line 17 | Line 17 | |
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 | + | #ifdef WIN32 |
25 | + | #include "utils/wingetopt.h" |
26 | + | #else |
27 | + | #include <getopt.h> |
28 | + | #endif |
29 | + | |
30 | #include "DynamicPropsCmd.h" | |
31 | ||
32 | + | const char *gengetopt_args_info_purpose = ""; |
33 | + | |
34 | + | const char *gengetopt_args_info_usage = "Usage: DynamicProps [OPTIONS]... [FILES]..."; |
35 | + | |
36 | + | const char *gengetopt_args_info_description = ""; |
37 | + | |
38 | + | const char *gengetopt_args_info_help[] = { |
39 | + | " -h, --help Print help and exit", |
40 | + | " -V, --version Print version and exit", |
41 | + | " -i, --input=filename input dump file", |
42 | + | " -o, --output=filename output file name", |
43 | + | " --sele1=selection script select first stuntdouble set", |
44 | + | " --sele2=selection script select second stuntdouble set (if sele2 is not \n set, use script from sele1)", |
45 | + | " --order=INT Lengendre Polynomial Order", |
46 | + | " -m, --memory=memory specification\n Available memory (defaults to 2G) \n (default=`2G')", |
47 | + | "\n Group: dynamicProps\n an option of this group is required", |
48 | + | " -s, --selecorr selection correlation function", |
49 | + | " -r, --rcorr rmsd", |
50 | + | " -v, --vcorr velocity correlation function", |
51 | + | " -d, --dcorr dipole correlation function", |
52 | + | " -l, --lcorr Lengendre correlation function", |
53 | + | " -M, --sdcorr System dipole correlation function", |
54 | + | " --r_rcorr Radial rmsd", |
55 | + | " --thetacorr Angular rmsd", |
56 | + | " --drcorr Directional rmsd for particles with unit \n vectors", |
57 | + | " --helfandEcorr Helfand moment for thermal conductvity", |
58 | + | " -p, --momentum Helfand momentum for viscosity", |
59 | + | " --stresscorr Stress tensor correlation function", |
60 | + | 0 |
61 | + | }; |
62 | + | |
63 | + | typedef enum {ARG_NO |
64 | + | , ARG_STRING |
65 | + | , ARG_INT |
66 | + | } cmdline_parser_arg_type; |
67 | + | |
68 | static | |
69 | void clear_given (struct gengetopt_args_info *args_info); | |
70 | static | |
71 | void clear_args (struct gengetopt_args_info *args_info); | |
72 | ||
73 | static int | |
74 | < | 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); |
74 | > | cmdline_parser_internal (int argc, char **argv, struct gengetopt_args_info *args_info, |
75 | > | struct cmdline_parser_params *params, const char *additional_error); |
76 | ||
77 | static int | |
78 | cmdline_parser_required2 (struct gengetopt_args_info *args_info, const char *prog_name, const char *additional_error); | |
# | Line 45 | Line 90 | void clear_given (struct gengetopt_args_info *args_inf | |
90 | args_info->sele1_given = 0 ; | |
91 | args_info->sele2_given = 0 ; | |
92 | args_info->order_given = 0 ; | |
93 | + | args_info->memory_given = 0 ; |
94 | + | args_info->selecorr_given = 0 ; |
95 | args_info->rcorr_given = 0 ; | |
96 | args_info->vcorr_given = 0 ; | |
97 | args_info->dcorr_given = 0 ; | |
98 | args_info->lcorr_given = 0 ; | |
99 | + | args_info->sdcorr_given = 0 ; |
100 | args_info->r_rcorr_given = 0 ; | |
101 | args_info->thetacorr_given = 0 ; | |
102 | args_info->drcorr_given = 0 ; | |
103 | args_info->helfandEcorr_given = 0 ; | |
104 | + | args_info->momentum_given = 0 ; |
105 | + | args_info->stresscorr_given = 0 ; |
106 | args_info->dynamicProps_group_counter = 0 ; | |
107 | } | |
108 | ||
109 | static | |
110 | void clear_args (struct gengetopt_args_info *args_info) | |
111 | { | |
112 | + | FIX_UNUSED (args_info); |
113 | args_info->input_arg = NULL; | |
114 | args_info->input_orig = NULL; | |
115 | args_info->output_arg = NULL; | |
# | Line 68 | Line 119 | void clear_args (struct gengetopt_args_info *args_info | |
119 | args_info->sele2_arg = NULL; | |
120 | args_info->sele2_orig = NULL; | |
121 | args_info->order_orig = NULL; | |
122 | + | args_info->memory_arg = gengetopt_strdup ("2G"); |
123 | + | args_info->memory_orig = NULL; |
124 | ||
125 | } | |
126 | ||
127 | + | static |
128 | + | void init_args_info(struct gengetopt_args_info *args_info) |
129 | + | { |
130 | + | |
131 | + | |
132 | + | args_info->help_help = gengetopt_args_info_help[0] ; |
133 | + | args_info->version_help = gengetopt_args_info_help[1] ; |
134 | + | args_info->input_help = gengetopt_args_info_help[2] ; |
135 | + | args_info->output_help = gengetopt_args_info_help[3] ; |
136 | + | args_info->sele1_help = gengetopt_args_info_help[4] ; |
137 | + | args_info->sele2_help = gengetopt_args_info_help[5] ; |
138 | + | args_info->order_help = gengetopt_args_info_help[6] ; |
139 | + | args_info->memory_help = gengetopt_args_info_help[7] ; |
140 | + | args_info->selecorr_help = gengetopt_args_info_help[9] ; |
141 | + | args_info->rcorr_help = gengetopt_args_info_help[10] ; |
142 | + | args_info->vcorr_help = gengetopt_args_info_help[11] ; |
143 | + | args_info->dcorr_help = gengetopt_args_info_help[12] ; |
144 | + | args_info->lcorr_help = gengetopt_args_info_help[13] ; |
145 | + | args_info->sdcorr_help = gengetopt_args_info_help[14] ; |
146 | + | args_info->r_rcorr_help = gengetopt_args_info_help[15] ; |
147 | + | args_info->thetacorr_help = gengetopt_args_info_help[16] ; |
148 | + | args_info->drcorr_help = gengetopt_args_info_help[17] ; |
149 | + | args_info->helfandEcorr_help = gengetopt_args_info_help[18] ; |
150 | + | args_info->momentum_help = gengetopt_args_info_help[19] ; |
151 | + | args_info->stresscorr_help = gengetopt_args_info_help[20] ; |
152 | + | |
153 | + | } |
154 | + | |
155 | void | |
156 | cmdline_parser_print_version (void) | |
157 | { | |
158 | < | printf ("%s %s\n", CMDLINE_PARSER_PACKAGE, CMDLINE_PARSER_VERSION); |
158 | > | printf ("%s %s\n", |
159 | > | (strlen(CMDLINE_PARSER_PACKAGE_NAME) ? CMDLINE_PARSER_PACKAGE_NAME : CMDLINE_PARSER_PACKAGE), |
160 | > | CMDLINE_PARSER_VERSION); |
161 | } | |
162 | ||
163 | + | static void print_help_common(void) { |
164 | + | cmdline_parser_print_version (); |
165 | + | |
166 | + | if (strlen(gengetopt_args_info_purpose) > 0) |
167 | + | printf("\n%s\n", gengetopt_args_info_purpose); |
168 | + | |
169 | + | if (strlen(gengetopt_args_info_usage) > 0) |
170 | + | printf("\n%s\n", gengetopt_args_info_usage); |
171 | + | |
172 | + | printf("\n"); |
173 | + | |
174 | + | if (strlen(gengetopt_args_info_description) > 0) |
175 | + | printf("%s\n\n", gengetopt_args_info_description); |
176 | + | } |
177 | + | |
178 | void | |
179 | cmdline_parser_print_help (void) | |
180 | { | |
181 | < | cmdline_parser_print_version (); |
182 | < | printf("\nUsage: DynamicProps [OPTIONS]...\n\n"); |
183 | < | printf("%s\n"," -h, --help Print help and exit"); |
184 | < | printf("%s\n"," -V, --version Print version and exit"); |
87 | < | printf("%s\n"," -i, --input=filename input dump file"); |
88 | < | printf("%s\n"," -o, --output=filename output file name"); |
89 | < | printf("%s\n"," --sele1=selection script select first stuntdouble set"); |
90 | < | printf("%s\n"," --sele2=selection script select second stuntdouble set (if sele2 is not \n set, use script from sele1)"); |
91 | < | printf("%s\n"," --order=INT Lengendre Polynomial Order"); |
92 | < | printf("%s\n","\n Group: dynamicProps\n an option of this group is required"); |
93 | < | printf("%s\n"," -r, --rcorr rmsd"); |
94 | < | printf("%s\n"," -v, --vcorr velocity correlation function"); |
95 | < | printf("%s\n"," -d, --dcorr dipole correlation function"); |
96 | < | printf("%s\n"," -l, --lcorr Lengendre correlation function"); |
97 | < | printf("%s\n"," --r_rcorr Radial rmsd"); |
98 | < | printf("%s\n"," --thetacorr Angular rmsd"); |
99 | < | printf("%s\n"," --drcorr Directional rmsd for particles with unit \n vectors"); |
100 | < | printf("%s\n"," --helfandEcorr Helfand moment for thermal conductvity"); |
101 | < | |
181 | > | int i = 0; |
182 | > | print_help_common(); |
183 | > | while (gengetopt_args_info_help[i]) |
184 | > | printf("%s\n", gengetopt_args_info_help[i++]); |
185 | } | |
186 | ||
187 | void | |
# | Line 106 | Line 189 | cmdline_parser_init (struct gengetopt_args_info *args_ | |
189 | { | |
190 | clear_given (args_info); | |
191 | clear_args (args_info); | |
192 | + | init_args_info (args_info); |
193 | + | |
194 | + | args_info->inputs = 0; |
195 | + | args_info->inputs_num = 0; |
196 | } | |
197 | ||
198 | + | void |
199 | + | cmdline_parser_params_init(struct cmdline_parser_params *params) |
200 | + | { |
201 | + | if (params) |
202 | + | { |
203 | + | params->override = 0; |
204 | + | params->initialize = 1; |
205 | + | params->check_required = 1; |
206 | + | params->check_ambiguity = 0; |
207 | + | params->print_errors = 1; |
208 | + | } |
209 | + | } |
210 | + | |
211 | + | struct cmdline_parser_params * |
212 | + | cmdline_parser_params_create(void) |
213 | + | { |
214 | + | struct cmdline_parser_params *params = |
215 | + | (struct cmdline_parser_params *)malloc(sizeof(struct cmdline_parser_params)); |
216 | + | cmdline_parser_params_init(params); |
217 | + | return params; |
218 | + | } |
219 | + | |
220 | static void | |
221 | < | cmdline_parser_release (struct gengetopt_args_info *args_info) |
221 | > | free_string_field (char **s) |
222 | { | |
223 | < | |
115 | < | if (args_info->input_arg) |
223 | > | if (*s) |
224 | { | |
225 | < | free (args_info->input_arg); /* free previous argument */ |
226 | < | args_info->input_arg = 0; |
225 | > | free (*s); |
226 | > | *s = 0; |
227 | } | |
228 | < | if (args_info->input_orig) |
229 | < | { |
230 | < | free (args_info->input_orig); /* free previous argument */ |
231 | < | args_info->input_orig = 0; |
232 | < | } |
233 | < | if (args_info->output_arg) |
234 | < | { |
235 | < | free (args_info->output_arg); /* free previous argument */ |
236 | < | args_info->output_arg = 0; |
237 | < | } |
238 | < | if (args_info->output_orig) |
239 | < | { |
240 | < | free (args_info->output_orig); /* free previous argument */ |
241 | < | args_info->output_orig = 0; |
242 | < | } |
243 | < | if (args_info->sele1_arg) |
244 | < | { |
245 | < | free (args_info->sele1_arg); /* free previous argument */ |
246 | < | args_info->sele1_arg = 0; |
247 | < | } |
248 | < | if (args_info->sele1_orig) |
249 | < | { |
250 | < | free (args_info->sele1_orig); /* free previous argument */ |
251 | < | args_info->sele1_orig = 0; |
252 | < | } |
253 | < | if (args_info->sele2_arg) |
254 | < | { |
255 | < | free (args_info->sele2_arg); /* free previous argument */ |
256 | < | args_info->sele2_arg = 0; |
257 | < | } |
258 | < | if (args_info->sele2_orig) |
259 | < | { |
260 | < | free (args_info->sele2_orig); /* free previous argument */ |
261 | < | args_info->sele2_orig = 0; |
262 | < | } |
263 | < | if (args_info->order_orig) |
228 | > | } |
229 | > | |
230 | > | |
231 | > | static void |
232 | > | cmdline_parser_release (struct gengetopt_args_info *args_info) |
233 | > | { |
234 | > | unsigned int i; |
235 | > | free_string_field (&(args_info->input_arg)); |
236 | > | free_string_field (&(args_info->input_orig)); |
237 | > | free_string_field (&(args_info->output_arg)); |
238 | > | free_string_field (&(args_info->output_orig)); |
239 | > | free_string_field (&(args_info->sele1_arg)); |
240 | > | free_string_field (&(args_info->sele1_orig)); |
241 | > | free_string_field (&(args_info->sele2_arg)); |
242 | > | free_string_field (&(args_info->sele2_orig)); |
243 | > | free_string_field (&(args_info->order_orig)); |
244 | > | free_string_field (&(args_info->memory_arg)); |
245 | > | free_string_field (&(args_info->memory_orig)); |
246 | > | |
247 | > | |
248 | > | for (i = 0; i < args_info->inputs_num; ++i) |
249 | > | free (args_info->inputs [i]); |
250 | > | |
251 | > | if (args_info->inputs_num) |
252 | > | free (args_info->inputs); |
253 | > | |
254 | > | clear_given (args_info); |
255 | > | } |
256 | > | |
257 | > | |
258 | > | static void |
259 | > | write_into_file(FILE *outfile, const char *opt, const char *arg, const char *values[]) |
260 | > | { |
261 | > | FIX_UNUSED (values); |
262 | > | if (arg) { |
263 | > | fprintf(outfile, "%s=\"%s\"\n", opt, arg); |
264 | > | } else { |
265 | > | fprintf(outfile, "%s\n", opt); |
266 | > | } |
267 | > | } |
268 | > | |
269 | > | |
270 | > | int |
271 | > | cmdline_parser_dump(FILE *outfile, struct gengetopt_args_info *args_info) |
272 | > | { |
273 | > | int i = 0; |
274 | > | |
275 | > | if (!outfile) |
276 | { | |
277 | < | free (args_info->order_orig); /* free previous argument */ |
278 | < | args_info->order_orig = 0; |
277 | > | fprintf (stderr, "%s: cannot dump options to stream\n", CMDLINE_PARSER_PACKAGE); |
278 | > | return EXIT_FAILURE; |
279 | } | |
280 | + | |
281 | + | if (args_info->help_given) |
282 | + | write_into_file(outfile, "help", 0, 0 ); |
283 | + | if (args_info->version_given) |
284 | + | write_into_file(outfile, "version", 0, 0 ); |
285 | + | if (args_info->input_given) |
286 | + | write_into_file(outfile, "input", args_info->input_orig, 0); |
287 | + | if (args_info->output_given) |
288 | + | write_into_file(outfile, "output", args_info->output_orig, 0); |
289 | + | if (args_info->sele1_given) |
290 | + | write_into_file(outfile, "sele1", args_info->sele1_orig, 0); |
291 | + | if (args_info->sele2_given) |
292 | + | write_into_file(outfile, "sele2", args_info->sele2_orig, 0); |
293 | + | if (args_info->order_given) |
294 | + | write_into_file(outfile, "order", args_info->order_orig, 0); |
295 | + | if (args_info->memory_given) |
296 | + | write_into_file(outfile, "memory", args_info->memory_orig, 0); |
297 | + | if (args_info->selecorr_given) |
298 | + | write_into_file(outfile, "selecorr", 0, 0 ); |
299 | + | if (args_info->rcorr_given) |
300 | + | write_into_file(outfile, "rcorr", 0, 0 ); |
301 | + | if (args_info->vcorr_given) |
302 | + | write_into_file(outfile, "vcorr", 0, 0 ); |
303 | + | if (args_info->dcorr_given) |
304 | + | write_into_file(outfile, "dcorr", 0, 0 ); |
305 | + | if (args_info->lcorr_given) |
306 | + | write_into_file(outfile, "lcorr", 0, 0 ); |
307 | + | if (args_info->sdcorr_given) |
308 | + | write_into_file(outfile, "sdcorr", 0, 0 ); |
309 | + | if (args_info->r_rcorr_given) |
310 | + | write_into_file(outfile, "r_rcorr", 0, 0 ); |
311 | + | if (args_info->thetacorr_given) |
312 | + | write_into_file(outfile, "thetacorr", 0, 0 ); |
313 | + | if (args_info->drcorr_given) |
314 | + | write_into_file(outfile, "drcorr", 0, 0 ); |
315 | + | if (args_info->helfandEcorr_given) |
316 | + | write_into_file(outfile, "helfandEcorr", 0, 0 ); |
317 | + | if (args_info->momentum_given) |
318 | + | write_into_file(outfile, "momentum", 0, 0 ); |
319 | + | if (args_info->stresscorr_given) |
320 | + | write_into_file(outfile, "stresscorr", 0, 0 ); |
321 | ||
322 | < | clear_given (args_info); |
322 | > | |
323 | > | i = EXIT_SUCCESS; |
324 | > | return i; |
325 | } | |
326 | ||
327 | int | |
# | Line 175 | Line 338 | cmdline_parser_file_save(const char *filename, struct | |
338 | return EXIT_FAILURE; | |
339 | } | |
340 | ||
341 | < | if (args_info->help_given) { |
179 | < | fprintf(outfile, "%s\n", "help"); |
180 | < | } |
181 | < | if (args_info->version_given) { |
182 | < | fprintf(outfile, "%s\n", "version"); |
183 | < | } |
184 | < | if (args_info->input_given) { |
185 | < | if (args_info->input_orig) { |
186 | < | fprintf(outfile, "%s=\"%s\"\n", "input", args_info->input_orig); |
187 | < | } else { |
188 | < | fprintf(outfile, "%s\n", "input"); |
189 | < | } |
190 | < | } |
191 | < | if (args_info->output_given) { |
192 | < | if (args_info->output_orig) { |
193 | < | fprintf(outfile, "%s=\"%s\"\n", "output", args_info->output_orig); |
194 | < | } else { |
195 | < | fprintf(outfile, "%s\n", "output"); |
196 | < | } |
197 | < | } |
198 | < | if (args_info->sele1_given) { |
199 | < | if (args_info->sele1_orig) { |
200 | < | fprintf(outfile, "%s=\"%s\"\n", "sele1", args_info->sele1_orig); |
201 | < | } else { |
202 | < | fprintf(outfile, "%s\n", "sele1"); |
203 | < | } |
204 | < | } |
205 | < | if (args_info->sele2_given) { |
206 | < | if (args_info->sele2_orig) { |
207 | < | fprintf(outfile, "%s=\"%s\"\n", "sele2", args_info->sele2_orig); |
208 | < | } else { |
209 | < | fprintf(outfile, "%s\n", "sele2"); |
210 | < | } |
211 | < | } |
212 | < | if (args_info->order_given) { |
213 | < | if (args_info->order_orig) { |
214 | < | fprintf(outfile, "%s=\"%s\"\n", "order", args_info->order_orig); |
215 | < | } else { |
216 | < | fprintf(outfile, "%s\n", "order"); |
217 | < | } |
218 | < | } |
219 | < | if (args_info->rcorr_given) { |
220 | < | fprintf(outfile, "%s\n", "rcorr"); |
221 | < | } |
222 | < | if (args_info->vcorr_given) { |
223 | < | fprintf(outfile, "%s\n", "vcorr"); |
224 | < | } |
225 | < | if (args_info->dcorr_given) { |
226 | < | fprintf(outfile, "%s\n", "dcorr"); |
227 | < | } |
228 | < | if (args_info->lcorr_given) { |
229 | < | fprintf(outfile, "%s\n", "lcorr"); |
230 | < | } |
231 | < | if (args_info->r_rcorr_given) { |
232 | < | fprintf(outfile, "%s\n", "r_rcorr"); |
233 | < | } |
234 | < | if (args_info->thetacorr_given) { |
235 | < | fprintf(outfile, "%s\n", "thetacorr"); |
236 | < | } |
237 | < | if (args_info->drcorr_given) { |
238 | < | fprintf(outfile, "%s\n", "drcorr"); |
239 | < | } |
240 | < | if (args_info->helfandEcorr_given) { |
241 | < | fprintf(outfile, "%s\n", "helfandEcorr"); |
242 | < | } |
243 | < | |
341 | > | i = cmdline_parser_dump(outfile, args_info); |
342 | fclose (outfile); | |
343 | ||
246 | – | i = EXIT_SUCCESS; |
344 | return i; | |
345 | } | |
346 | ||
# | Line 253 | Line 350 | cmdline_parser_free (struct gengetopt_args_info *args_ | |
350 | cmdline_parser_release (args_info); | |
351 | } | |
352 | ||
353 | < | |
257 | < | /* gengetopt_strdup() */ |
258 | < | /* strdup.c replacement of strdup, which is not standard */ |
353 | > | /** @brief replacement of strdup, which is not standard */ |
354 | char * | |
355 | gengetopt_strdup (const char *s) | |
356 | { | |
357 | < | char *result = NULL; |
357 | > | char *result = 0; |
358 | if (!s) | |
359 | return result; | |
360 | ||
# | Line 271 | Line 366 | static void | |
366 | } | |
367 | ||
368 | static void | |
274 | – | reset_group_dynamicProps(struct gengetopt_args_info *args_info); |
275 | – | |
276 | – | static void |
369 | reset_group_dynamicProps(struct gengetopt_args_info *args_info) | |
370 | { | |
371 | if (! args_info->dynamicProps_group_counter) | |
372 | return; | |
373 | ||
374 | + | args_info->selecorr_given = 0 ; |
375 | args_info->rcorr_given = 0 ; | |
376 | args_info->vcorr_given = 0 ; | |
377 | args_info->dcorr_given = 0 ; | |
378 | args_info->lcorr_given = 0 ; | |
379 | + | args_info->sdcorr_given = 0 ; |
380 | args_info->r_rcorr_given = 0 ; | |
381 | args_info->thetacorr_given = 0 ; | |
382 | args_info->drcorr_given = 0 ; | |
383 | args_info->helfandEcorr_given = 0 ; | |
384 | + | args_info->momentum_given = 0 ; |
385 | + | args_info->stresscorr_given = 0 ; |
386 | ||
387 | args_info->dynamicProps_group_counter = 0; | |
388 | } | |
389 | ||
390 | int | |
391 | < | cmdline_parser (int argc, char * const *argv, struct gengetopt_args_info *args_info) |
391 | > | cmdline_parser (int argc, char **argv, struct gengetopt_args_info *args_info) |
392 | { | |
393 | return cmdline_parser2 (argc, argv, args_info, 0, 1, 1); | |
394 | } | |
395 | ||
396 | int | |
397 | < | cmdline_parser2 (int argc, char * const *argv, struct gengetopt_args_info *args_info, int override, int initialize, int check_required) |
397 | > | cmdline_parser_ext (int argc, char **argv, struct gengetopt_args_info *args_info, |
398 | > | struct cmdline_parser_params *params) |
399 | { | |
400 | int result; | |
401 | + | result = cmdline_parser_internal (argc, argv, args_info, params, 0); |
402 | ||
403 | < | result = cmdline_parser_internal (argc, argv, args_info, override, initialize, check_required, NULL); |
403 | > | if (result == EXIT_FAILURE) |
404 | > | { |
405 | > | cmdline_parser_free (args_info); |
406 | > | exit (EXIT_FAILURE); |
407 | > | } |
408 | > | |
409 | > | return result; |
410 | > | } |
411 | ||
412 | + | int |
413 | + | cmdline_parser2 (int argc, char **argv, struct gengetopt_args_info *args_info, int override, int initialize, int check_required) |
414 | + | { |
415 | + | int result; |
416 | + | struct cmdline_parser_params params; |
417 | + | |
418 | + | params.override = override; |
419 | + | params.initialize = initialize; |
420 | + | params.check_required = check_required; |
421 | + | params.check_ambiguity = 0; |
422 | + | params.print_errors = 1; |
423 | + | |
424 | + | result = cmdline_parser_internal (argc, argv, args_info, ¶ms, 0); |
425 | + | |
426 | if (result == EXIT_FAILURE) | |
427 | { | |
428 | cmdline_parser_free (args_info); | |
# | Line 318 | Line 437 | cmdline_parser_required (struct gengetopt_args_info *a | |
437 | { | |
438 | int result = EXIT_SUCCESS; | |
439 | ||
440 | < | if (cmdline_parser_required2(args_info, prog_name, NULL) > 0) |
440 | > | if (cmdline_parser_required2(args_info, prog_name, 0) > 0) |
441 | result = EXIT_FAILURE; | |
442 | ||
443 | if (result == EXIT_FAILURE) | |
# | Line 334 | Line 453 | cmdline_parser_required2 (struct gengetopt_args_info * | |
453 | cmdline_parser_required2 (struct gengetopt_args_info *args_info, const char *prog_name, const char *additional_error) | |
454 | { | |
455 | int error = 0; | |
456 | + | FIX_UNUSED (additional_error); |
457 | ||
458 | + | /* checks for required options */ |
459 | if (! args_info->input_given) | |
460 | { | |
461 | fprintf (stderr, "%s: '--input' ('-i') option required%s\n", prog_name, (additional_error ? additional_error : "")); | |
462 | error = 1; | |
463 | } | |
464 | + | |
465 | if (args_info->dynamicProps_group_counter == 0) | |
466 | { | |
467 | < | 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 : "")); |
467 | > | 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 : "")); |
468 | error = 1; | |
469 | } | |
470 | ||
471 | ||
472 | + | /* checks for dependences among options */ |
473 | + | |
474 | return error; | |
475 | } | |
476 | ||
477 | + | |
478 | + | static char *package_name = 0; |
479 | + | |
480 | + | /** |
481 | + | * @brief updates an option |
482 | + | * @param field the generic pointer to the field to update |
483 | + | * @param orig_field the pointer to the orig field |
484 | + | * @param field_given the pointer to the number of occurrence of this option |
485 | + | * @param prev_given the pointer to the number of occurrence already seen |
486 | + | * @param value the argument for this option (if null no arg was specified) |
487 | + | * @param possible_values the possible values for this option (if specified) |
488 | + | * @param default_value the default value (in case the option only accepts fixed values) |
489 | + | * @param arg_type the type of this option |
490 | + | * @param check_ambiguity @see cmdline_parser_params.check_ambiguity |
491 | + | * @param override @see cmdline_parser_params.override |
492 | + | * @param no_free whether to free a possible previous value |
493 | + | * @param multiple_option whether this is a multiple option |
494 | + | * @param long_opt the corresponding long option |
495 | + | * @param short_opt the corresponding short option (or '-' if none) |
496 | + | * @param additional_error possible further error specification |
497 | + | */ |
498 | + | static |
499 | + | int update_arg(void *field, char **orig_field, |
500 | + | unsigned int *field_given, unsigned int *prev_given, |
501 | + | char *value, const char *possible_values[], |
502 | + | const char *default_value, |
503 | + | cmdline_parser_arg_type arg_type, |
504 | + | int check_ambiguity, int override, |
505 | + | int no_free, int multiple_option, |
506 | + | const char *long_opt, char short_opt, |
507 | + | const char *additional_error) |
508 | + | { |
509 | + | char *stop_char = 0; |
510 | + | const char *val = value; |
511 | + | int found; |
512 | + | char **string_field; |
513 | + | FIX_UNUSED (field); |
514 | + | |
515 | + | stop_char = 0; |
516 | + | found = 0; |
517 | + | |
518 | + | if (!multiple_option && prev_given && (*prev_given || (check_ambiguity && *field_given))) |
519 | + | { |
520 | + | if (short_opt != '-') |
521 | + | fprintf (stderr, "%s: `--%s' (`-%c') option given more than once%s\n", |
522 | + | package_name, long_opt, short_opt, |
523 | + | (additional_error ? additional_error : "")); |
524 | + | else |
525 | + | fprintf (stderr, "%s: `--%s' option given more than once%s\n", |
526 | + | package_name, long_opt, |
527 | + | (additional_error ? additional_error : "")); |
528 | + | return 1; /* failure */ |
529 | + | } |
530 | + | |
531 | + | FIX_UNUSED (default_value); |
532 | + | |
533 | + | if (field_given && *field_given && ! override) |
534 | + | return 0; |
535 | + | if (prev_given) |
536 | + | (*prev_given)++; |
537 | + | if (field_given) |
538 | + | (*field_given)++; |
539 | + | if (possible_values) |
540 | + | val = possible_values[found]; |
541 | + | |
542 | + | switch(arg_type) { |
543 | + | case ARG_INT: |
544 | + | if (val) *((int *)field) = strtol (val, &stop_char, 0); |
545 | + | break; |
546 | + | case ARG_STRING: |
547 | + | if (val) { |
548 | + | string_field = (char **)field; |
549 | + | if (!no_free && *string_field) |
550 | + | free (*string_field); /* free previous string */ |
551 | + | *string_field = gengetopt_strdup (val); |
552 | + | } |
553 | + | break; |
554 | + | default: |
555 | + | break; |
556 | + | }; |
557 | + | |
558 | + | /* check numeric conversion */ |
559 | + | switch(arg_type) { |
560 | + | case ARG_INT: |
561 | + | if (val && !(stop_char && *stop_char == '\0')) { |
562 | + | fprintf(stderr, "%s: invalid numeric value: %s\n", package_name, val); |
563 | + | return 1; /* failure */ |
564 | + | } |
565 | + | break; |
566 | + | default: |
567 | + | ; |
568 | + | }; |
569 | + | |
570 | + | /* store the original value */ |
571 | + | switch(arg_type) { |
572 | + | case ARG_NO: |
573 | + | break; |
574 | + | default: |
575 | + | if (value && orig_field) { |
576 | + | if (no_free) { |
577 | + | *orig_field = value; |
578 | + | } else { |
579 | + | if (*orig_field) |
580 | + | free (*orig_field); /* free previous string */ |
581 | + | *orig_field = gengetopt_strdup (value); |
582 | + | } |
583 | + | } |
584 | + | }; |
585 | + | |
586 | + | return 0; /* OK */ |
587 | + | } |
588 | + | |
589 | + | |
590 | int | |
591 | < | 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) |
591 | > | cmdline_parser_internal ( |
592 | > | int argc, char **argv, struct gengetopt_args_info *args_info, |
593 | > | struct cmdline_parser_params *params, const char *additional_error) |
594 | { | |
595 | int c; /* Character of the parsed option. */ | |
596 | ||
597 | int error = 0; | |
598 | struct gengetopt_args_info local_args_info; | |
599 | + | |
600 | + | int override; |
601 | + | int initialize; |
602 | + | int check_required; |
603 | + | int check_ambiguity; |
604 | + | |
605 | + | package_name = argv[0]; |
606 | + | |
607 | + | override = params->override; |
608 | + | initialize = params->initialize; |
609 | + | check_required = params->check_required; |
610 | + | check_ambiguity = params->check_ambiguity; |
611 | ||
612 | if (initialize) | |
613 | cmdline_parser_init (args_info); | |
# | Line 364 | Line 615 | cmdline_parser_internal (int argc, char * const *argv, | |
615 | cmdline_parser_init (&local_args_info); | |
616 | ||
617 | optarg = 0; | |
618 | < | optind = 1; |
619 | < | opterr = 1; |
618 | > | optind = 0; |
619 | > | opterr = params->print_errors; |
620 | optopt = '?'; | |
621 | ||
622 | while (1) | |
623 | { | |
624 | int option_index = 0; | |
374 | – | char *stop_char; |
625 | ||
626 | static struct option long_options[] = { | |
627 | { "help", 0, NULL, 'h' }, | |
# | Line 381 | Line 631 | cmdline_parser_internal (int argc, char * const *argv, | |
631 | { "sele1", 1, NULL, 0 }, | |
632 | { "sele2", 1, NULL, 0 }, | |
633 | { "order", 1, NULL, 0 }, | |
634 | + | { "memory", 1, NULL, 'm' }, |
635 | + | { "selecorr", 0, NULL, 's' }, |
636 | { "rcorr", 0, NULL, 'r' }, | |
637 | { "vcorr", 0, NULL, 'v' }, | |
638 | { "dcorr", 0, NULL, 'd' }, | |
639 | { "lcorr", 0, NULL, 'l' }, | |
640 | + | { "sdcorr", 0, NULL, 'M' }, |
641 | { "r_rcorr", 0, NULL, 0 }, | |
642 | { "thetacorr", 0, NULL, 0 }, | |
643 | { "drcorr", 0, NULL, 0 }, | |
644 | { "helfandEcorr", 0, NULL, 0 }, | |
645 | < | { NULL, 0, NULL, 0 } |
645 | > | { "momentum", 0, NULL, 'p' }, |
646 | > | { "stresscorr", 0, NULL, 0 }, |
647 | > | { 0, 0, 0, 0 } |
648 | }; | |
649 | ||
650 | < | stop_char = 0; |
396 | < | c = getopt_long (argc, argv, "hVi:o:rvdl", long_options, &option_index); |
650 | > | c = getopt_long (argc, argv, "hVi:o:m:srvdlMp", long_options, &option_index); |
651 | ||
652 | if (c == -1) break; /* Exit from `while (1)' loop. */ | |
653 | ||
# | Line 410 | Line 664 | cmdline_parser_internal (int argc, char * const *argv, | |
664 | exit (EXIT_SUCCESS); | |
665 | ||
666 | case 'i': /* input dump file. */ | |
667 | < | if (local_args_info.input_given) |
668 | < | { |
669 | < | fprintf (stderr, "%s: `--input' (`-i') option given more than once%s\n", argv[0], (additional_error ? additional_error : "")); |
670 | < | goto failure; |
671 | < | } |
672 | < | if (args_info->input_given && ! override) |
673 | < | continue; |
674 | < | local_args_info.input_given = 1; |
675 | < | args_info->input_given = 1; |
676 | < | if (args_info->input_arg) |
423 | < | free (args_info->input_arg); /* free previous string */ |
424 | < | args_info->input_arg = gengetopt_strdup (optarg); |
425 | < | if (args_info->input_orig) |
426 | < | free (args_info->input_orig); /* free previous string */ |
427 | < | args_info->input_orig = gengetopt_strdup (optarg); |
667 | > | |
668 | > | |
669 | > | if (update_arg( (void *)&(args_info->input_arg), |
670 | > | &(args_info->input_orig), &(args_info->input_given), |
671 | > | &(local_args_info.input_given), optarg, 0, 0, ARG_STRING, |
672 | > | check_ambiguity, override, 0, 0, |
673 | > | "input", 'i', |
674 | > | additional_error)) |
675 | > | goto failure; |
676 | > | |
677 | break; | |
429 | – | |
678 | case 'o': /* output file name. */ | |
679 | < | if (local_args_info.output_given) |
680 | < | { |
681 | < | fprintf (stderr, "%s: `--output' (`-o') option given more than once%s\n", argv[0], (additional_error ? additional_error : "")); |
682 | < | goto failure; |
683 | < | } |
684 | < | if (args_info->output_given && ! override) |
685 | < | continue; |
686 | < | local_args_info.output_given = 1; |
687 | < | args_info->output_given = 1; |
688 | < | if (args_info->output_arg) |
441 | < | free (args_info->output_arg); /* free previous string */ |
442 | < | args_info->output_arg = gengetopt_strdup (optarg); |
443 | < | if (args_info->output_orig) |
444 | < | free (args_info->output_orig); /* free previous string */ |
445 | < | args_info->output_orig = gengetopt_strdup (optarg); |
679 | > | |
680 | > | |
681 | > | if (update_arg( (void *)&(args_info->output_arg), |
682 | > | &(args_info->output_orig), &(args_info->output_given), |
683 | > | &(local_args_info.output_given), optarg, 0, 0, ARG_STRING, |
684 | > | check_ambiguity, override, 0, 0, |
685 | > | "output", 'o', |
686 | > | additional_error)) |
687 | > | goto failure; |
688 | > | |
689 | break; | |
690 | < | |
690 | > | case 'm': /* Available memory (defaults to 2G). */ |
691 | > | |
692 | > | |
693 | > | if (update_arg( (void *)&(args_info->memory_arg), |
694 | > | &(args_info->memory_orig), &(args_info->memory_given), |
695 | > | &(local_args_info.memory_given), optarg, 0, "2G", ARG_STRING, |
696 | > | check_ambiguity, override, 0, 0, |
697 | > | "memory", 'm', |
698 | > | additional_error)) |
699 | > | goto failure; |
700 | > | |
701 | > | break; |
702 | > | case 's': /* selection correlation function. */ |
703 | > | |
704 | > | if (args_info->dynamicProps_group_counter && override) |
705 | > | reset_group_dynamicProps (args_info); |
706 | > | args_info->dynamicProps_group_counter += 1; |
707 | > | |
708 | > | if (update_arg( 0 , |
709 | > | 0 , &(args_info->selecorr_given), |
710 | > | &(local_args_info.selecorr_given), optarg, 0, 0, ARG_NO, |
711 | > | check_ambiguity, override, 0, 0, |
712 | > | "selecorr", 's', |
713 | > | additional_error)) |
714 | > | goto failure; |
715 | > | |
716 | > | break; |
717 | case 'r': /* rmsd. */ | |
718 | < | if (local_args_info.rcorr_given) |
450 | < | { |
451 | < | fprintf (stderr, "%s: `--rcorr' (`-r') option given more than once%s\n", argv[0], (additional_error ? additional_error : "")); |
452 | < | goto failure; |
453 | < | } |
454 | < | if (args_info->rcorr_given && ! override) |
455 | < | continue; |
456 | < | local_args_info.rcorr_given = 1; |
457 | < | args_info->rcorr_given = 1; |
718 | > | |
719 | if (args_info->dynamicProps_group_counter && override) | |
720 | reset_group_dynamicProps (args_info); | |
721 | args_info->dynamicProps_group_counter += 1; | |
722 | + | |
723 | + | if (update_arg( 0 , |
724 | + | 0 , &(args_info->rcorr_given), |
725 | + | &(local_args_info.rcorr_given), optarg, 0, 0, ARG_NO, |
726 | + | check_ambiguity, override, 0, 0, |
727 | + | "rcorr", 'r', |
728 | + | additional_error)) |
729 | + | goto failure; |
730 | + | |
731 | break; | |
462 | – | |
732 | case 'v': /* velocity correlation function. */ | |
733 | < | if (local_args_info.vcorr_given) |
465 | < | { |
466 | < | fprintf (stderr, "%s: `--vcorr' (`-v') option given more than once%s\n", argv[0], (additional_error ? additional_error : "")); |
467 | < | goto failure; |
468 | < | } |
469 | < | if (args_info->vcorr_given && ! override) |
470 | < | continue; |
471 | < | local_args_info.vcorr_given = 1; |
472 | < | args_info->vcorr_given = 1; |
733 | > | |
734 | if (args_info->dynamicProps_group_counter && override) | |
735 | reset_group_dynamicProps (args_info); | |
736 | args_info->dynamicProps_group_counter += 1; | |
737 | + | |
738 | + | if (update_arg( 0 , |
739 | + | 0 , &(args_info->vcorr_given), |
740 | + | &(local_args_info.vcorr_given), optarg, 0, 0, ARG_NO, |
741 | + | check_ambiguity, override, 0, 0, |
742 | + | "vcorr", 'v', |
743 | + | additional_error)) |
744 | + | goto failure; |
745 | + | |
746 | break; | |
477 | – | |
747 | case 'd': /* dipole correlation function. */ | |
748 | < | if (local_args_info.dcorr_given) |
480 | < | { |
481 | < | fprintf (stderr, "%s: `--dcorr' (`-d') option given more than once%s\n", argv[0], (additional_error ? additional_error : "")); |
482 | < | goto failure; |
483 | < | } |
484 | < | if (args_info->dcorr_given && ! override) |
485 | < | continue; |
486 | < | local_args_info.dcorr_given = 1; |
487 | < | args_info->dcorr_given = 1; |
748 | > | |
749 | if (args_info->dynamicProps_group_counter && override) | |
750 | reset_group_dynamicProps (args_info); | |
751 | args_info->dynamicProps_group_counter += 1; | |
752 | + | |
753 | + | if (update_arg( 0 , |
754 | + | 0 , &(args_info->dcorr_given), |
755 | + | &(local_args_info.dcorr_given), optarg, 0, 0, ARG_NO, |
756 | + | check_ambiguity, override, 0, 0, |
757 | + | "dcorr", 'd', |
758 | + | additional_error)) |
759 | + | goto failure; |
760 | + | |
761 | break; | |
492 | – | |
762 | case 'l': /* Lengendre correlation function. */ | |
763 | < | if (local_args_info.lcorr_given) |
764 | < | { |
765 | < | fprintf (stderr, "%s: `--lcorr' (`-l') option given more than once%s\n", argv[0], (additional_error ? additional_error : "")); |
766 | < | goto failure; |
767 | < | } |
768 | < | if (args_info->lcorr_given && ! override) |
769 | < | continue; |
770 | < | local_args_info.lcorr_given = 1; |
771 | < | args_info->lcorr_given = 1; |
763 | > | |
764 | > | if (args_info->dynamicProps_group_counter && override) |
765 | > | reset_group_dynamicProps (args_info); |
766 | > | args_info->dynamicProps_group_counter += 1; |
767 | > | |
768 | > | if (update_arg( 0 , |
769 | > | 0 , &(args_info->lcorr_given), |
770 | > | &(local_args_info.lcorr_given), optarg, 0, 0, ARG_NO, |
771 | > | check_ambiguity, override, 0, 0, |
772 | > | "lcorr", 'l', |
773 | > | additional_error)) |
774 | > | goto failure; |
775 | > | |
776 | > | break; |
777 | > | case 'M': /* System dipole correlation function. */ |
778 | > | |
779 | if (args_info->dynamicProps_group_counter && override) | |
780 | reset_group_dynamicProps (args_info); | |
781 | args_info->dynamicProps_group_counter += 1; | |
782 | + | |
783 | + | if (update_arg( 0 , |
784 | + | 0 , &(args_info->sdcorr_given), |
785 | + | &(local_args_info.sdcorr_given), optarg, 0, 0, ARG_NO, |
786 | + | check_ambiguity, override, 0, 0, |
787 | + | "sdcorr", 'M', |
788 | + | additional_error)) |
789 | + | goto failure; |
790 | + | |
791 | break; | |
792 | + | case 'p': /* Helfand momentum for viscosity. */ |
793 | + | |
794 | + | if (args_info->dynamicProps_group_counter && override) |
795 | + | reset_group_dynamicProps (args_info); |
796 | + | args_info->dynamicProps_group_counter += 1; |
797 | + | |
798 | + | if (update_arg( 0 , |
799 | + | 0 , &(args_info->momentum_given), |
800 | + | &(local_args_info.momentum_given), optarg, 0, 0, ARG_NO, |
801 | + | check_ambiguity, override, 0, 0, |
802 | + | "momentum", 'p', |
803 | + | additional_error)) |
804 | + | goto failure; |
805 | + | |
806 | + | break; |
807 | ||
508 | – | |
808 | case 0: /* Long option with no short option */ | |
809 | /* select first stuntdouble set. */ | |
810 | if (strcmp (long_options[option_index].name, "sele1") == 0) | |
811 | { | |
812 | < | if (local_args_info.sele1_given) |
813 | < | { |
814 | < | fprintf (stderr, "%s: `--sele1' option given more than once%s\n", argv[0], (additional_error ? additional_error : "")); |
815 | < | goto failure; |
816 | < | } |
817 | < | if (args_info->sele1_given && ! override) |
818 | < | continue; |
819 | < | local_args_info.sele1_given = 1; |
820 | < | args_info->sele1_given = 1; |
821 | < | if (args_info->sele1_arg) |
523 | < | free (args_info->sele1_arg); /* free previous string */ |
524 | < | args_info->sele1_arg = gengetopt_strdup (optarg); |
525 | < | if (args_info->sele1_orig) |
526 | < | free (args_info->sele1_orig); /* free previous string */ |
527 | < | args_info->sele1_orig = gengetopt_strdup (optarg); |
812 | > | |
813 | > | |
814 | > | if (update_arg( (void *)&(args_info->sele1_arg), |
815 | > | &(args_info->sele1_orig), &(args_info->sele1_given), |
816 | > | &(local_args_info.sele1_given), optarg, 0, 0, ARG_STRING, |
817 | > | check_ambiguity, override, 0, 0, |
818 | > | "sele1", '-', |
819 | > | additional_error)) |
820 | > | goto failure; |
821 | > | |
822 | } | |
823 | /* select second stuntdouble set (if sele2 is not set, use script from sele1). */ | |
824 | else if (strcmp (long_options[option_index].name, "sele2") == 0) | |
825 | { | |
826 | < | if (local_args_info.sele2_given) |
827 | < | { |
828 | < | fprintf (stderr, "%s: `--sele2' option given more than once%s\n", argv[0], (additional_error ? additional_error : "")); |
829 | < | goto failure; |
830 | < | } |
831 | < | if (args_info->sele2_given && ! override) |
832 | < | continue; |
833 | < | local_args_info.sele2_given = 1; |
834 | < | args_info->sele2_given = 1; |
835 | < | if (args_info->sele2_arg) |
542 | < | free (args_info->sele2_arg); /* free previous string */ |
543 | < | args_info->sele2_arg = gengetopt_strdup (optarg); |
544 | < | if (args_info->sele2_orig) |
545 | < | free (args_info->sele2_orig); /* free previous string */ |
546 | < | args_info->sele2_orig = gengetopt_strdup (optarg); |
826 | > | |
827 | > | |
828 | > | if (update_arg( (void *)&(args_info->sele2_arg), |
829 | > | &(args_info->sele2_orig), &(args_info->sele2_given), |
830 | > | &(local_args_info.sele2_given), optarg, 0, 0, ARG_STRING, |
831 | > | check_ambiguity, override, 0, 0, |
832 | > | "sele2", '-', |
833 | > | additional_error)) |
834 | > | goto failure; |
835 | > | |
836 | } | |
837 | /* Lengendre Polynomial Order. */ | |
838 | else if (strcmp (long_options[option_index].name, "order") == 0) | |
839 | { | |
840 | < | if (local_args_info.order_given) |
841 | < | { |
842 | < | fprintf (stderr, "%s: `--order' option given more than once%s\n", argv[0], (additional_error ? additional_error : "")); |
843 | < | goto failure; |
844 | < | } |
845 | < | if (args_info->order_given && ! override) |
846 | < | continue; |
847 | < | local_args_info.order_given = 1; |
848 | < | args_info->order_given = 1; |
849 | < | args_info->order_arg = strtol (optarg,&stop_char,0); |
561 | < | if (args_info->order_orig) |
562 | < | free (args_info->order_orig); /* free previous string */ |
563 | < | args_info->order_orig = gengetopt_strdup (optarg); |
840 | > | |
841 | > | |
842 | > | if (update_arg( (void *)&(args_info->order_arg), |
843 | > | &(args_info->order_orig), &(args_info->order_given), |
844 | > | &(local_args_info.order_given), optarg, 0, 0, ARG_INT, |
845 | > | check_ambiguity, override, 0, 0, |
846 | > | "order", '-', |
847 | > | additional_error)) |
848 | > | goto failure; |
849 | > | |
850 | } | |
851 | /* Radial rmsd. */ | |
852 | else if (strcmp (long_options[option_index].name, "r_rcorr") == 0) | |
853 | { | |
854 | < | if (local_args_info.r_rcorr_given) |
569 | < | { |
570 | < | fprintf (stderr, "%s: `--r_rcorr' option given more than once%s\n", argv[0], (additional_error ? additional_error : "")); |
571 | < | goto failure; |
572 | < | } |
573 | < | if (args_info->r_rcorr_given && ! override) |
574 | < | continue; |
575 | < | local_args_info.r_rcorr_given = 1; |
576 | < | args_info->r_rcorr_given = 1; |
854 | > | |
855 | if (args_info->dynamicProps_group_counter && override) | |
856 | reset_group_dynamicProps (args_info); | |
857 | args_info->dynamicProps_group_counter += 1; | |
858 | < | break; |
858 | > | |
859 | > | if (update_arg( 0 , |
860 | > | 0 , &(args_info->r_rcorr_given), |
861 | > | &(local_args_info.r_rcorr_given), optarg, 0, 0, ARG_NO, |
862 | > | check_ambiguity, override, 0, 0, |
863 | > | "r_rcorr", '-', |
864 | > | additional_error)) |
865 | > | goto failure; |
866 | > | |
867 | } | |
868 | /* Angular rmsd. */ | |
869 | else if (strcmp (long_options[option_index].name, "thetacorr") == 0) | |
870 | { | |
871 | < | if (local_args_info.thetacorr_given) |
586 | < | { |
587 | < | fprintf (stderr, "%s: `--thetacorr' option given more than once%s\n", argv[0], (additional_error ? additional_error : "")); |
588 | < | goto failure; |
589 | < | } |
590 | < | if (args_info->thetacorr_given && ! override) |
591 | < | continue; |
592 | < | local_args_info.thetacorr_given = 1; |
593 | < | args_info->thetacorr_given = 1; |
871 | > | |
872 | if (args_info->dynamicProps_group_counter && override) | |
873 | reset_group_dynamicProps (args_info); | |
874 | args_info->dynamicProps_group_counter += 1; | |
875 | < | break; |
875 | > | |
876 | > | if (update_arg( 0 , |
877 | > | 0 , &(args_info->thetacorr_given), |
878 | > | &(local_args_info.thetacorr_given), optarg, 0, 0, ARG_NO, |
879 | > | check_ambiguity, override, 0, 0, |
880 | > | "thetacorr", '-', |
881 | > | additional_error)) |
882 | > | goto failure; |
883 | > | |
884 | } | |
885 | /* Directional rmsd for particles with unit vectors. */ | |
886 | else if (strcmp (long_options[option_index].name, "drcorr") == 0) | |
887 | { | |
888 | < | if (local_args_info.drcorr_given) |
603 | < | { |
604 | < | fprintf (stderr, "%s: `--drcorr' option given more than once%s\n", argv[0], (additional_error ? additional_error : "")); |
605 | < | goto failure; |
606 | < | } |
607 | < | if (args_info->drcorr_given && ! override) |
608 | < | continue; |
609 | < | local_args_info.drcorr_given = 1; |
610 | < | args_info->drcorr_given = 1; |
888 | > | |
889 | if (args_info->dynamicProps_group_counter && override) | |
890 | reset_group_dynamicProps (args_info); | |
891 | args_info->dynamicProps_group_counter += 1; | |
892 | < | break; |
892 | > | |
893 | > | if (update_arg( 0 , |
894 | > | 0 , &(args_info->drcorr_given), |
895 | > | &(local_args_info.drcorr_given), optarg, 0, 0, ARG_NO, |
896 | > | check_ambiguity, override, 0, 0, |
897 | > | "drcorr", '-', |
898 | > | additional_error)) |
899 | > | goto failure; |
900 | > | |
901 | } | |
902 | /* Helfand moment for thermal conductvity. */ | |
903 | else if (strcmp (long_options[option_index].name, "helfandEcorr") == 0) | |
904 | { | |
905 | < | if (local_args_info.helfandEcorr_given) |
620 | < | { |
621 | < | fprintf (stderr, "%s: `--helfandEcorr' option given more than once%s\n", argv[0], (additional_error ? additional_error : "")); |
622 | < | goto failure; |
623 | < | } |
624 | < | if (args_info->helfandEcorr_given && ! override) |
625 | < | continue; |
626 | < | local_args_info.helfandEcorr_given = 1; |
627 | < | args_info->helfandEcorr_given = 1; |
905 | > | |
906 | if (args_info->dynamicProps_group_counter && override) | |
907 | reset_group_dynamicProps (args_info); | |
908 | args_info->dynamicProps_group_counter += 1; | |
909 | < | break; |
909 | > | |
910 | > | if (update_arg( 0 , |
911 | > | 0 , &(args_info->helfandEcorr_given), |
912 | > | &(local_args_info.helfandEcorr_given), optarg, 0, 0, ARG_NO, |
913 | > | check_ambiguity, override, 0, 0, |
914 | > | "helfandEcorr", '-', |
915 | > | additional_error)) |
916 | > | goto failure; |
917 | > | |
918 | } | |
919 | + | /* Stress tensor correlation function. */ |
920 | + | else if (strcmp (long_options[option_index].name, "stresscorr") == 0) |
921 | + | { |
922 | ||
923 | + | if (args_info->dynamicProps_group_counter && override) |
924 | + | reset_group_dynamicProps (args_info); |
925 | + | args_info->dynamicProps_group_counter += 1; |
926 | + | |
927 | + | if (update_arg( 0 , |
928 | + | 0 , &(args_info->stresscorr_given), |
929 | + | &(local_args_info.stresscorr_given), optarg, 0, 0, ARG_NO, |
930 | + | check_ambiguity, override, 0, 0, |
931 | + | "stresscorr", '-', |
932 | + | additional_error)) |
933 | + | goto failure; |
934 | + | |
935 | + | } |
936 | + | |
937 | break; | |
938 | case '?': /* Invalid option. */ | |
939 | /* `getopt_long' already printed an error message. */ | |
# | Line 644 | Line 947 | cmdline_parser_internal (int argc, char * const *argv, | |
947 | ||
948 | if (args_info->dynamicProps_group_counter > 1) | |
949 | { | |
950 | < | 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 : "")); |
950 | > | 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 : "")); |
951 | error = 1; | |
952 | } | |
953 | ||
# | Line 660 | Line 963 | cmdline_parser_internal (int argc, char * const *argv, | |
963 | if ( error ) | |
964 | return (EXIT_FAILURE); | |
965 | ||
966 | + | if (optind < argc) |
967 | + | { |
968 | + | int i = 0 ; |
969 | + | int found_prog_name = 0; |
970 | + | /* whether program name, i.e., argv[0], is in the remaining args |
971 | + | (this may happen with some implementations of getopt, |
972 | + | but surely not with the one included by gengetopt) */ |
973 | + | |
974 | + | i = optind; |
975 | + | while (i < argc) |
976 | + | if (argv[i++] == argv[0]) { |
977 | + | found_prog_name = 1; |
978 | + | break; |
979 | + | } |
980 | + | i = 0; |
981 | + | |
982 | + | args_info->inputs_num = argc - optind - found_prog_name; |
983 | + | args_info->inputs = |
984 | + | (char **)(malloc ((args_info->inputs_num)*sizeof(char *))) ; |
985 | + | while (optind < argc) |
986 | + | if (argv[optind++] != argv[0]) |
987 | + | args_info->inputs[ i++ ] = gengetopt_strdup (argv[optind-1]) ; |
988 | + | } |
989 | + | |
990 | return 0; | |
991 | ||
992 | failure: |
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