# | 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 | + | " -z, --nzbins=INT Number of Z bins (default=`100')", |
47 | + | " -m, --memory=memory specification\n Available memory (defaults to 2G) \n (default=`2G')", |
48 | + | "\n Group: dynamicProps\n an option of this group is required", |
49 | + | " -s, --selecorr selection correlation function", |
50 | + | " -r, --rcorr rmsd", |
51 | + | " -v, --vcorr velocity correlation function", |
52 | + | " -d, --dcorr dipole correlation function", |
53 | + | " -l, --lcorr Lengendre correlation function", |
54 | + | " --lcorrZ Lengendre correlation function binned by Z", |
55 | + | " --cohZ Lengendre correlation function for OH bond \n vectors binned by Z", |
56 | + | " -M, --sdcorr System dipole correlation function", |
57 | + | " --r_rcorr Radial rmsd", |
58 | + | " --thetacorr Angular rmsd", |
59 | + | " --drcorr Directional rmsd for particles with unit \n vectors", |
60 | + | " --helfandEcorr Helfand moment for thermal conductvity", |
61 | + | " -p, --momentum Helfand momentum for viscosity", |
62 | + | " --stresscorr Stress tensor correlation function", |
63 | + | 0 |
64 | + | }; |
65 | + | |
66 | + | typedef enum {ARG_NO |
67 | + | , ARG_STRING |
68 | + | , ARG_INT |
69 | + | } cmdline_parser_arg_type; |
70 | + | |
71 | static | |
72 | void clear_given (struct gengetopt_args_info *args_info); | |
73 | static | |
74 | void clear_args (struct gengetopt_args_info *args_info); | |
75 | ||
76 | static int | |
77 | < | 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); |
77 | > | cmdline_parser_internal (int argc, char **argv, struct gengetopt_args_info *args_info, |
78 | > | struct cmdline_parser_params *params, const char *additional_error); |
79 | ||
80 | static int | |
81 | cmdline_parser_required2 (struct gengetopt_args_info *args_info, const char *prog_name, const char *additional_error); | |
# | Line 45 | Line 93 | void clear_given (struct gengetopt_args_info *args_inf | |
93 | args_info->sele1_given = 0 ; | |
94 | args_info->sele2_given = 0 ; | |
95 | args_info->order_given = 0 ; | |
96 | + | args_info->nzbins_given = 0 ; |
97 | + | args_info->memory_given = 0 ; |
98 | + | args_info->selecorr_given = 0 ; |
99 | args_info->rcorr_given = 0 ; | |
100 | args_info->vcorr_given = 0 ; | |
101 | args_info->dcorr_given = 0 ; | |
102 | args_info->lcorr_given = 0 ; | |
103 | + | args_info->lcorrZ_given = 0 ; |
104 | + | args_info->cohZ_given = 0 ; |
105 | + | args_info->sdcorr_given = 0 ; |
106 | args_info->r_rcorr_given = 0 ; | |
107 | args_info->thetacorr_given = 0 ; | |
108 | args_info->drcorr_given = 0 ; | |
109 | args_info->helfandEcorr_given = 0 ; | |
110 | + | args_info->momentum_given = 0 ; |
111 | + | args_info->stresscorr_given = 0 ; |
112 | args_info->dynamicProps_group_counter = 0 ; | |
113 | } | |
114 | ||
115 | static | |
116 | void clear_args (struct gengetopt_args_info *args_info) | |
117 | { | |
118 | + | FIX_UNUSED (args_info); |
119 | args_info->input_arg = NULL; | |
120 | args_info->input_orig = NULL; | |
121 | args_info->output_arg = NULL; | |
# | Line 68 | Line 125 | void clear_args (struct gengetopt_args_info *args_info | |
125 | args_info->sele2_arg = NULL; | |
126 | args_info->sele2_orig = NULL; | |
127 | args_info->order_orig = NULL; | |
128 | + | args_info->nzbins_arg = 100; |
129 | + | args_info->nzbins_orig = NULL; |
130 | + | args_info->memory_arg = gengetopt_strdup ("2G"); |
131 | + | args_info->memory_orig = NULL; |
132 | ||
133 | } | |
134 | ||
135 | + | static |
136 | + | void init_args_info(struct gengetopt_args_info *args_info) |
137 | + | { |
138 | + | |
139 | + | |
140 | + | args_info->help_help = gengetopt_args_info_help[0] ; |
141 | + | args_info->version_help = gengetopt_args_info_help[1] ; |
142 | + | args_info->input_help = gengetopt_args_info_help[2] ; |
143 | + | args_info->output_help = gengetopt_args_info_help[3] ; |
144 | + | args_info->sele1_help = gengetopt_args_info_help[4] ; |
145 | + | args_info->sele2_help = gengetopt_args_info_help[5] ; |
146 | + | args_info->order_help = gengetopt_args_info_help[6] ; |
147 | + | args_info->nzbins_help = gengetopt_args_info_help[7] ; |
148 | + | args_info->memory_help = gengetopt_args_info_help[8] ; |
149 | + | args_info->selecorr_help = gengetopt_args_info_help[10] ; |
150 | + | args_info->rcorr_help = gengetopt_args_info_help[11] ; |
151 | + | args_info->vcorr_help = gengetopt_args_info_help[12] ; |
152 | + | args_info->dcorr_help = gengetopt_args_info_help[13] ; |
153 | + | args_info->lcorr_help = gengetopt_args_info_help[14] ; |
154 | + | args_info->lcorrZ_help = gengetopt_args_info_help[15] ; |
155 | + | args_info->cohZ_help = gengetopt_args_info_help[16] ; |
156 | + | args_info->sdcorr_help = gengetopt_args_info_help[17] ; |
157 | + | args_info->r_rcorr_help = gengetopt_args_info_help[18] ; |
158 | + | args_info->thetacorr_help = gengetopt_args_info_help[19] ; |
159 | + | args_info->drcorr_help = gengetopt_args_info_help[20] ; |
160 | + | args_info->helfandEcorr_help = gengetopt_args_info_help[21] ; |
161 | + | args_info->momentum_help = gengetopt_args_info_help[22] ; |
162 | + | args_info->stresscorr_help = gengetopt_args_info_help[23] ; |
163 | + | |
164 | + | } |
165 | + | |
166 | void | |
167 | cmdline_parser_print_version (void) | |
168 | { | |
169 | < | printf ("%s %s\n", CMDLINE_PARSER_PACKAGE, CMDLINE_PARSER_VERSION); |
169 | > | printf ("%s %s\n", |
170 | > | (strlen(CMDLINE_PARSER_PACKAGE_NAME) ? CMDLINE_PARSER_PACKAGE_NAME : CMDLINE_PARSER_PACKAGE), |
171 | > | CMDLINE_PARSER_VERSION); |
172 | } | |
173 | ||
174 | + | static void print_help_common(void) { |
175 | + | cmdline_parser_print_version (); |
176 | + | |
177 | + | if (strlen(gengetopt_args_info_purpose) > 0) |
178 | + | printf("\n%s\n", gengetopt_args_info_purpose); |
179 | + | |
180 | + | if (strlen(gengetopt_args_info_usage) > 0) |
181 | + | printf("\n%s\n", gengetopt_args_info_usage); |
182 | + | |
183 | + | printf("\n"); |
184 | + | |
185 | + | if (strlen(gengetopt_args_info_description) > 0) |
186 | + | printf("%s\n\n", gengetopt_args_info_description); |
187 | + | } |
188 | + | |
189 | void | |
190 | cmdline_parser_print_help (void) | |
191 | { | |
192 | < | cmdline_parser_print_version (); |
193 | < | printf("\nUsage: DynamicProps [OPTIONS]...\n\n"); |
194 | < | printf("%s\n"," -h, --help Print help and exit"); |
195 | < | 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 | < | |
192 | > | int i = 0; |
193 | > | print_help_common(); |
194 | > | while (gengetopt_args_info_help[i]) |
195 | > | printf("%s\n", gengetopt_args_info_help[i++]); |
196 | } | |
197 | ||
198 | void | |
# | Line 106 | Line 200 | cmdline_parser_init (struct gengetopt_args_info *args_ | |
200 | { | |
201 | clear_given (args_info); | |
202 | clear_args (args_info); | |
203 | + | init_args_info (args_info); |
204 | + | |
205 | + | args_info->inputs = 0; |
206 | + | args_info->inputs_num = 0; |
207 | } | |
208 | ||
209 | + | void |
210 | + | cmdline_parser_params_init(struct cmdline_parser_params *params) |
211 | + | { |
212 | + | if (params) |
213 | + | { |
214 | + | params->override = 0; |
215 | + | params->initialize = 1; |
216 | + | params->check_required = 1; |
217 | + | params->check_ambiguity = 0; |
218 | + | params->print_errors = 1; |
219 | + | } |
220 | + | } |
221 | + | |
222 | + | struct cmdline_parser_params * |
223 | + | cmdline_parser_params_create(void) |
224 | + | { |
225 | + | struct cmdline_parser_params *params = |
226 | + | (struct cmdline_parser_params *)malloc(sizeof(struct cmdline_parser_params)); |
227 | + | cmdline_parser_params_init(params); |
228 | + | return params; |
229 | + | } |
230 | + | |
231 | static void | |
232 | < | cmdline_parser_release (struct gengetopt_args_info *args_info) |
232 | > | free_string_field (char **s) |
233 | { | |
234 | < | |
115 | < | if (args_info->input_arg) |
234 | > | if (*s) |
235 | { | |
236 | < | free (args_info->input_arg); /* free previous argument */ |
237 | < | args_info->input_arg = 0; |
236 | > | free (*s); |
237 | > | *s = 0; |
238 | } | |
239 | < | if (args_info->input_orig) |
240 | < | { |
241 | < | free (args_info->input_orig); /* free previous argument */ |
242 | < | args_info->input_orig = 0; |
243 | < | } |
244 | < | if (args_info->output_arg) |
245 | < | { |
246 | < | free (args_info->output_arg); /* free previous argument */ |
247 | < | args_info->output_arg = 0; |
248 | < | } |
249 | < | if (args_info->output_orig) |
250 | < | { |
251 | < | free (args_info->output_orig); /* free previous argument */ |
252 | < | args_info->output_orig = 0; |
253 | < | } |
254 | < | if (args_info->sele1_arg) |
255 | < | { |
256 | < | free (args_info->sele1_arg); /* free previous argument */ |
257 | < | args_info->sele1_arg = 0; |
258 | < | } |
259 | < | if (args_info->sele1_orig) |
260 | < | { |
261 | < | free (args_info->sele1_orig); /* free previous argument */ |
262 | < | args_info->sele1_orig = 0; |
263 | < | } |
264 | < | if (args_info->sele2_arg) |
265 | < | { |
266 | < | free (args_info->sele2_arg); /* free previous argument */ |
267 | < | args_info->sele2_arg = 0; |
268 | < | } |
269 | < | if (args_info->sele2_orig) |
270 | < | { |
271 | < | free (args_info->sele2_orig); /* free previous argument */ |
272 | < | args_info->sele2_orig = 0; |
273 | < | } |
274 | < | if (args_info->order_orig) |
239 | > | } |
240 | > | |
241 | > | |
242 | > | static void |
243 | > | cmdline_parser_release (struct gengetopt_args_info *args_info) |
244 | > | { |
245 | > | unsigned int i; |
246 | > | free_string_field (&(args_info->input_arg)); |
247 | > | free_string_field (&(args_info->input_orig)); |
248 | > | free_string_field (&(args_info->output_arg)); |
249 | > | free_string_field (&(args_info->output_orig)); |
250 | > | free_string_field (&(args_info->sele1_arg)); |
251 | > | free_string_field (&(args_info->sele1_orig)); |
252 | > | free_string_field (&(args_info->sele2_arg)); |
253 | > | free_string_field (&(args_info->sele2_orig)); |
254 | > | free_string_field (&(args_info->order_orig)); |
255 | > | free_string_field (&(args_info->nzbins_orig)); |
256 | > | free_string_field (&(args_info->memory_arg)); |
257 | > | free_string_field (&(args_info->memory_orig)); |
258 | > | |
259 | > | |
260 | > | for (i = 0; i < args_info->inputs_num; ++i) |
261 | > | free (args_info->inputs [i]); |
262 | > | |
263 | > | if (args_info->inputs_num) |
264 | > | free (args_info->inputs); |
265 | > | |
266 | > | clear_given (args_info); |
267 | > | } |
268 | > | |
269 | > | |
270 | > | static void |
271 | > | write_into_file(FILE *outfile, const char *opt, const char *arg, const char *values[]) |
272 | > | { |
273 | > | FIX_UNUSED (values); |
274 | > | if (arg) { |
275 | > | fprintf(outfile, "%s=\"%s\"\n", opt, arg); |
276 | > | } else { |
277 | > | fprintf(outfile, "%s\n", opt); |
278 | > | } |
279 | > | } |
280 | > | |
281 | > | |
282 | > | int |
283 | > | cmdline_parser_dump(FILE *outfile, struct gengetopt_args_info *args_info) |
284 | > | { |
285 | > | int i = 0; |
286 | > | |
287 | > | if (!outfile) |
288 | { | |
289 | < | free (args_info->order_orig); /* free previous argument */ |
290 | < | args_info->order_orig = 0; |
289 | > | fprintf (stderr, "%s: cannot dump options to stream\n", CMDLINE_PARSER_PACKAGE); |
290 | > | return EXIT_FAILURE; |
291 | } | |
292 | + | |
293 | + | if (args_info->help_given) |
294 | + | write_into_file(outfile, "help", 0, 0 ); |
295 | + | if (args_info->version_given) |
296 | + | write_into_file(outfile, "version", 0, 0 ); |
297 | + | if (args_info->input_given) |
298 | + | write_into_file(outfile, "input", args_info->input_orig, 0); |
299 | + | if (args_info->output_given) |
300 | + | write_into_file(outfile, "output", args_info->output_orig, 0); |
301 | + | if (args_info->sele1_given) |
302 | + | write_into_file(outfile, "sele1", args_info->sele1_orig, 0); |
303 | + | if (args_info->sele2_given) |
304 | + | write_into_file(outfile, "sele2", args_info->sele2_orig, 0); |
305 | + | if (args_info->order_given) |
306 | + | write_into_file(outfile, "order", args_info->order_orig, 0); |
307 | + | if (args_info->nzbins_given) |
308 | + | write_into_file(outfile, "nzbins", args_info->nzbins_orig, 0); |
309 | + | if (args_info->memory_given) |
310 | + | write_into_file(outfile, "memory", args_info->memory_orig, 0); |
311 | + | if (args_info->selecorr_given) |
312 | + | write_into_file(outfile, "selecorr", 0, 0 ); |
313 | + | if (args_info->rcorr_given) |
314 | + | write_into_file(outfile, "rcorr", 0, 0 ); |
315 | + | if (args_info->vcorr_given) |
316 | + | write_into_file(outfile, "vcorr", 0, 0 ); |
317 | + | if (args_info->dcorr_given) |
318 | + | write_into_file(outfile, "dcorr", 0, 0 ); |
319 | + | if (args_info->lcorr_given) |
320 | + | write_into_file(outfile, "lcorr", 0, 0 ); |
321 | + | if (args_info->lcorrZ_given) |
322 | + | write_into_file(outfile, "lcorrZ", 0, 0 ); |
323 | + | if (args_info->cohZ_given) |
324 | + | write_into_file(outfile, "cohZ", 0, 0 ); |
325 | + | if (args_info->sdcorr_given) |
326 | + | write_into_file(outfile, "sdcorr", 0, 0 ); |
327 | + | if (args_info->r_rcorr_given) |
328 | + | write_into_file(outfile, "r_rcorr", 0, 0 ); |
329 | + | if (args_info->thetacorr_given) |
330 | + | write_into_file(outfile, "thetacorr", 0, 0 ); |
331 | + | if (args_info->drcorr_given) |
332 | + | write_into_file(outfile, "drcorr", 0, 0 ); |
333 | + | if (args_info->helfandEcorr_given) |
334 | + | write_into_file(outfile, "helfandEcorr", 0, 0 ); |
335 | + | if (args_info->momentum_given) |
336 | + | write_into_file(outfile, "momentum", 0, 0 ); |
337 | + | if (args_info->stresscorr_given) |
338 | + | write_into_file(outfile, "stresscorr", 0, 0 ); |
339 | ||
340 | < | clear_given (args_info); |
340 | > | |
341 | > | i = EXIT_SUCCESS; |
342 | > | return i; |
343 | } | |
344 | ||
345 | int | |
# | Line 175 | Line 356 | cmdline_parser_file_save(const char *filename, struct | |
356 | return EXIT_FAILURE; | |
357 | } | |
358 | ||
359 | < | 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 | < | |
359 | > | i = cmdline_parser_dump(outfile, args_info); |
360 | fclose (outfile); | |
361 | ||
246 | – | i = EXIT_SUCCESS; |
362 | return i; | |
363 | } | |
364 | ||
# | Line 253 | Line 368 | cmdline_parser_free (struct gengetopt_args_info *args_ | |
368 | cmdline_parser_release (args_info); | |
369 | } | |
370 | ||
371 | < | |
257 | < | /* gengetopt_strdup() */ |
258 | < | /* strdup.c replacement of strdup, which is not standard */ |
371 | > | /** @brief replacement of strdup, which is not standard */ |
372 | char * | |
373 | gengetopt_strdup (const char *s) | |
374 | { | |
375 | < | char *result = NULL; |
375 | > | char *result = 0; |
376 | if (!s) | |
377 | return result; | |
378 | ||
# | Line 271 | Line 384 | static void | |
384 | } | |
385 | ||
386 | static void | |
274 | – | reset_group_dynamicProps(struct gengetopt_args_info *args_info); |
275 | – | |
276 | – | static void |
387 | reset_group_dynamicProps(struct gengetopt_args_info *args_info) | |
388 | { | |
389 | if (! args_info->dynamicProps_group_counter) | |
390 | return; | |
391 | ||
392 | + | args_info->selecorr_given = 0 ; |
393 | args_info->rcorr_given = 0 ; | |
394 | args_info->vcorr_given = 0 ; | |
395 | args_info->dcorr_given = 0 ; | |
396 | args_info->lcorr_given = 0 ; | |
397 | + | args_info->lcorrZ_given = 0 ; |
398 | + | args_info->cohZ_given = 0 ; |
399 | + | args_info->sdcorr_given = 0 ; |
400 | args_info->r_rcorr_given = 0 ; | |
401 | args_info->thetacorr_given = 0 ; | |
402 | args_info->drcorr_given = 0 ; | |
403 | args_info->helfandEcorr_given = 0 ; | |
404 | + | args_info->momentum_given = 0 ; |
405 | + | args_info->stresscorr_given = 0 ; |
406 | ||
407 | args_info->dynamicProps_group_counter = 0; | |
408 | } | |
409 | ||
410 | int | |
411 | < | cmdline_parser (int argc, char * const *argv, struct gengetopt_args_info *args_info) |
411 | > | cmdline_parser (int argc, char **argv, struct gengetopt_args_info *args_info) |
412 | { | |
413 | return cmdline_parser2 (argc, argv, args_info, 0, 1, 1); | |
414 | } | |
415 | ||
416 | int | |
417 | < | cmdline_parser2 (int argc, char * const *argv, struct gengetopt_args_info *args_info, int override, int initialize, int check_required) |
417 | > | cmdline_parser_ext (int argc, char **argv, struct gengetopt_args_info *args_info, |
418 | > | struct cmdline_parser_params *params) |
419 | { | |
420 | int result; | |
421 | + | result = cmdline_parser_internal (argc, argv, args_info, params, 0); |
422 | ||
423 | < | result = cmdline_parser_internal (argc, argv, args_info, override, initialize, check_required, NULL); |
423 | > | if (result == EXIT_FAILURE) |
424 | > | { |
425 | > | cmdline_parser_free (args_info); |
426 | > | exit (EXIT_FAILURE); |
427 | > | } |
428 | > | |
429 | > | return result; |
430 | > | } |
431 | ||
432 | + | int |
433 | + | cmdline_parser2 (int argc, char **argv, struct gengetopt_args_info *args_info, int override, int initialize, int check_required) |
434 | + | { |
435 | + | int result; |
436 | + | struct cmdline_parser_params params; |
437 | + | |
438 | + | params.override = override; |
439 | + | params.initialize = initialize; |
440 | + | params.check_required = check_required; |
441 | + | params.check_ambiguity = 0; |
442 | + | params.print_errors = 1; |
443 | + | |
444 | + | result = cmdline_parser_internal (argc, argv, args_info, ¶ms, 0); |
445 | + | |
446 | if (result == EXIT_FAILURE) | |
447 | { | |
448 | cmdline_parser_free (args_info); | |
# | Line 318 | Line 457 | cmdline_parser_required (struct gengetopt_args_info *a | |
457 | { | |
458 | int result = EXIT_SUCCESS; | |
459 | ||
460 | < | if (cmdline_parser_required2(args_info, prog_name, NULL) > 0) |
460 | > | if (cmdline_parser_required2(args_info, prog_name, 0) > 0) |
461 | result = EXIT_FAILURE; | |
462 | ||
463 | if (result == EXIT_FAILURE) | |
# | Line 334 | Line 473 | cmdline_parser_required2 (struct gengetopt_args_info * | |
473 | cmdline_parser_required2 (struct gengetopt_args_info *args_info, const char *prog_name, const char *additional_error) | |
474 | { | |
475 | int error = 0; | |
476 | + | FIX_UNUSED (additional_error); |
477 | ||
478 | + | /* checks for required options */ |
479 | if (! args_info->input_given) | |
480 | { | |
481 | fprintf (stderr, "%s: '--input' ('-i') option required%s\n", prog_name, (additional_error ? additional_error : "")); | |
482 | error = 1; | |
483 | } | |
484 | + | |
485 | if (args_info->dynamicProps_group_counter == 0) | |
486 | { | |
487 | < | 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 : "")); |
487 | > | 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 : "")); |
488 | error = 1; | |
489 | } | |
490 | ||
491 | ||
492 | + | /* checks for dependences among options */ |
493 | + | |
494 | return error; | |
495 | + | } |
496 | + | |
497 | + | |
498 | + | static char *package_name = 0; |
499 | + | |
500 | + | /** |
501 | + | * @brief updates an option |
502 | + | * @param field the generic pointer to the field to update |
503 | + | * @param orig_field the pointer to the orig field |
504 | + | * @param field_given the pointer to the number of occurrence of this option |
505 | + | * @param prev_given the pointer to the number of occurrence already seen |
506 | + | * @param value the argument for this option (if null no arg was specified) |
507 | + | * @param possible_values the possible values for this option (if specified) |
508 | + | * @param default_value the default value (in case the option only accepts fixed values) |
509 | + | * @param arg_type the type of this option |
510 | + | * @param check_ambiguity @see cmdline_parser_params.check_ambiguity |
511 | + | * @param override @see cmdline_parser_params.override |
512 | + | * @param no_free whether to free a possible previous value |
513 | + | * @param multiple_option whether this is a multiple option |
514 | + | * @param long_opt the corresponding long option |
515 | + | * @param short_opt the corresponding short option (or '-' if none) |
516 | + | * @param additional_error possible further error specification |
517 | + | */ |
518 | + | static |
519 | + | int update_arg(void *field, char **orig_field, |
520 | + | unsigned int *field_given, unsigned int *prev_given, |
521 | + | char *value, const char *possible_values[], |
522 | + | const char *default_value, |
523 | + | cmdline_parser_arg_type arg_type, |
524 | + | int check_ambiguity, int override, |
525 | + | int no_free, int multiple_option, |
526 | + | const char *long_opt, char short_opt, |
527 | + | const char *additional_error) |
528 | + | { |
529 | + | char *stop_char = 0; |
530 | + | const char *val = value; |
531 | + | int found; |
532 | + | char **string_field; |
533 | + | FIX_UNUSED (field); |
534 | + | |
535 | + | stop_char = 0; |
536 | + | found = 0; |
537 | + | |
538 | + | if (!multiple_option && prev_given && (*prev_given || (check_ambiguity && *field_given))) |
539 | + | { |
540 | + | if (short_opt != '-') |
541 | + | fprintf (stderr, "%s: `--%s' (`-%c') option given more than once%s\n", |
542 | + | package_name, long_opt, short_opt, |
543 | + | (additional_error ? additional_error : "")); |
544 | + | else |
545 | + | fprintf (stderr, "%s: `--%s' option given more than once%s\n", |
546 | + | package_name, long_opt, |
547 | + | (additional_error ? additional_error : "")); |
548 | + | return 1; /* failure */ |
549 | + | } |
550 | + | |
551 | + | FIX_UNUSED (default_value); |
552 | + | |
553 | + | if (field_given && *field_given && ! override) |
554 | + | return 0; |
555 | + | if (prev_given) |
556 | + | (*prev_given)++; |
557 | + | if (field_given) |
558 | + | (*field_given)++; |
559 | + | if (possible_values) |
560 | + | val = possible_values[found]; |
561 | + | |
562 | + | switch(arg_type) { |
563 | + | case ARG_INT: |
564 | + | if (val) *((int *)field) = strtol (val, &stop_char, 0); |
565 | + | break; |
566 | + | case ARG_STRING: |
567 | + | if (val) { |
568 | + | string_field = (char **)field; |
569 | + | if (!no_free && *string_field) |
570 | + | free (*string_field); /* free previous string */ |
571 | + | *string_field = gengetopt_strdup (val); |
572 | + | } |
573 | + | break; |
574 | + | default: |
575 | + | break; |
576 | + | }; |
577 | + | |
578 | + | /* check numeric conversion */ |
579 | + | switch(arg_type) { |
580 | + | case ARG_INT: |
581 | + | if (val && !(stop_char && *stop_char == '\0')) { |
582 | + | fprintf(stderr, "%s: invalid numeric value: %s\n", package_name, val); |
583 | + | return 1; /* failure */ |
584 | + | } |
585 | + | break; |
586 | + | default: |
587 | + | ; |
588 | + | }; |
589 | + | |
590 | + | /* store the original value */ |
591 | + | switch(arg_type) { |
592 | + | case ARG_NO: |
593 | + | break; |
594 | + | default: |
595 | + | if (value && orig_field) { |
596 | + | if (no_free) { |
597 | + | *orig_field = value; |
598 | + | } else { |
599 | + | if (*orig_field) |
600 | + | free (*orig_field); /* free previous string */ |
601 | + | *orig_field = gengetopt_strdup (value); |
602 | + | } |
603 | + | } |
604 | + | }; |
605 | + | |
606 | + | return 0; /* OK */ |
607 | } | |
608 | ||
609 | + | |
610 | int | |
611 | < | 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) |
611 | > | cmdline_parser_internal ( |
612 | > | int argc, char **argv, struct gengetopt_args_info *args_info, |
613 | > | struct cmdline_parser_params *params, const char *additional_error) |
614 | { | |
615 | int c; /* Character of the parsed option. */ | |
616 | ||
617 | int error = 0; | |
618 | struct gengetopt_args_info local_args_info; | |
619 | + | |
620 | + | int override; |
621 | + | int initialize; |
622 | + | int check_required; |
623 | + | int check_ambiguity; |
624 | + | |
625 | + | package_name = argv[0]; |
626 | + | |
627 | + | override = params->override; |
628 | + | initialize = params->initialize; |
629 | + | check_required = params->check_required; |
630 | + | check_ambiguity = params->check_ambiguity; |
631 | ||
632 | if (initialize) | |
633 | cmdline_parser_init (args_info); | |
# | Line 364 | Line 635 | cmdline_parser_internal (int argc, char * const *argv, | |
635 | cmdline_parser_init (&local_args_info); | |
636 | ||
637 | optarg = 0; | |
638 | < | optind = 1; |
639 | < | opterr = 1; |
638 | > | optind = 0; |
639 | > | opterr = params->print_errors; |
640 | optopt = '?'; | |
641 | ||
642 | while (1) | |
643 | { | |
644 | int option_index = 0; | |
374 | – | char *stop_char; |
645 | ||
646 | static struct option long_options[] = { | |
647 | { "help", 0, NULL, 'h' }, | |
# | Line 381 | Line 651 | cmdline_parser_internal (int argc, char * const *argv, | |
651 | { "sele1", 1, NULL, 0 }, | |
652 | { "sele2", 1, NULL, 0 }, | |
653 | { "order", 1, NULL, 0 }, | |
654 | + | { "nzbins", 1, NULL, 'z' }, |
655 | + | { "memory", 1, NULL, 'm' }, |
656 | + | { "selecorr", 0, NULL, 's' }, |
657 | { "rcorr", 0, NULL, 'r' }, | |
658 | { "vcorr", 0, NULL, 'v' }, | |
659 | { "dcorr", 0, NULL, 'd' }, | |
660 | { "lcorr", 0, NULL, 'l' }, | |
661 | + | { "lcorrZ", 0, NULL, 0 }, |
662 | + | { "cohZ", 0, NULL, 0 }, |
663 | + | { "sdcorr", 0, NULL, 'M' }, |
664 | { "r_rcorr", 0, NULL, 0 }, | |
665 | { "thetacorr", 0, NULL, 0 }, | |
666 | { "drcorr", 0, NULL, 0 }, | |
667 | { "helfandEcorr", 0, NULL, 0 }, | |
668 | < | { NULL, 0, NULL, 0 } |
668 | > | { "momentum", 0, NULL, 'p' }, |
669 | > | { "stresscorr", 0, NULL, 0 }, |
670 | > | { 0, 0, 0, 0 } |
671 | }; | |
672 | ||
673 | < | stop_char = 0; |
396 | < | c = getopt_long (argc, argv, "hVi:o:rvdl", long_options, &option_index); |
673 | > | c = getopt_long (argc, argv, "hVi:o:z:m:srvdlMp", long_options, &option_index); |
674 | ||
675 | if (c == -1) break; /* Exit from `while (1)' loop. */ | |
676 | ||
# | Line 410 | Line 687 | cmdline_parser_internal (int argc, char * const *argv, | |
687 | exit (EXIT_SUCCESS); | |
688 | ||
689 | case 'i': /* input dump file. */ | |
690 | < | if (local_args_info.input_given) |
691 | < | { |
692 | < | fprintf (stderr, "%s: `--input' (`-i') option given more than once%s\n", argv[0], (additional_error ? additional_error : "")); |
693 | < | goto failure; |
694 | < | } |
695 | < | if (args_info->input_given && ! override) |
696 | < | continue; |
697 | < | local_args_info.input_given = 1; |
698 | < | args_info->input_given = 1; |
699 | < | 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); |
690 | > | |
691 | > | |
692 | > | if (update_arg( (void *)&(args_info->input_arg), |
693 | > | &(args_info->input_orig), &(args_info->input_given), |
694 | > | &(local_args_info.input_given), optarg, 0, 0, ARG_STRING, |
695 | > | check_ambiguity, override, 0, 0, |
696 | > | "input", 'i', |
697 | > | additional_error)) |
698 | > | goto failure; |
699 | > | |
700 | break; | |
429 | – | |
701 | case 'o': /* output file name. */ | |
702 | < | if (local_args_info.output_given) |
703 | < | { |
704 | < | fprintf (stderr, "%s: `--output' (`-o') option given more than once%s\n", argv[0], (additional_error ? additional_error : "")); |
705 | < | goto failure; |
706 | < | } |
707 | < | if (args_info->output_given && ! override) |
708 | < | continue; |
709 | < | local_args_info.output_given = 1; |
710 | < | args_info->output_given = 1; |
711 | < | 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); |
702 | > | |
703 | > | |
704 | > | if (update_arg( (void *)&(args_info->output_arg), |
705 | > | &(args_info->output_orig), &(args_info->output_given), |
706 | > | &(local_args_info.output_given), optarg, 0, 0, ARG_STRING, |
707 | > | check_ambiguity, override, 0, 0, |
708 | > | "output", 'o', |
709 | > | additional_error)) |
710 | > | goto failure; |
711 | > | |
712 | break; | |
713 | < | |
713 | > | case 'z': /* Number of Z bins. */ |
714 | > | |
715 | > | |
716 | > | if (update_arg( (void *)&(args_info->nzbins_arg), |
717 | > | &(args_info->nzbins_orig), &(args_info->nzbins_given), |
718 | > | &(local_args_info.nzbins_given), optarg, 0, "100", ARG_INT, |
719 | > | check_ambiguity, override, 0, 0, |
720 | > | "nzbins", 'z', |
721 | > | additional_error)) |
722 | > | goto failure; |
723 | > | |
724 | > | break; |
725 | > | case 'm': /* Available memory (defaults to 2G). */ |
726 | > | |
727 | > | |
728 | > | if (update_arg( (void *)&(args_info->memory_arg), |
729 | > | &(args_info->memory_orig), &(args_info->memory_given), |
730 | > | &(local_args_info.memory_given), optarg, 0, "2G", ARG_STRING, |
731 | > | check_ambiguity, override, 0, 0, |
732 | > | "memory", 'm', |
733 | > | additional_error)) |
734 | > | goto failure; |
735 | > | |
736 | > | break; |
737 | > | case 's': /* selection correlation function. */ |
738 | > | |
739 | > | if (args_info->dynamicProps_group_counter && override) |
740 | > | reset_group_dynamicProps (args_info); |
741 | > | args_info->dynamicProps_group_counter += 1; |
742 | > | |
743 | > | if (update_arg( 0 , |
744 | > | 0 , &(args_info->selecorr_given), |
745 | > | &(local_args_info.selecorr_given), optarg, 0, 0, ARG_NO, |
746 | > | check_ambiguity, override, 0, 0, |
747 | > | "selecorr", 's', |
748 | > | additional_error)) |
749 | > | goto failure; |
750 | > | |
751 | > | break; |
752 | case 'r': /* rmsd. */ | |
753 | < | 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; |
753 | > | |
754 | if (args_info->dynamicProps_group_counter && override) | |
755 | reset_group_dynamicProps (args_info); | |
756 | args_info->dynamicProps_group_counter += 1; | |
757 | + | |
758 | + | if (update_arg( 0 , |
759 | + | 0 , &(args_info->rcorr_given), |
760 | + | &(local_args_info.rcorr_given), optarg, 0, 0, ARG_NO, |
761 | + | check_ambiguity, override, 0, 0, |
762 | + | "rcorr", 'r', |
763 | + | additional_error)) |
764 | + | goto failure; |
765 | + | |
766 | break; | |
462 | – | |
767 | case 'v': /* velocity correlation function. */ | |
768 | < | 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; |
768 | > | |
769 | if (args_info->dynamicProps_group_counter && override) | |
770 | reset_group_dynamicProps (args_info); | |
771 | args_info->dynamicProps_group_counter += 1; | |
772 | + | |
773 | + | if (update_arg( 0 , |
774 | + | 0 , &(args_info->vcorr_given), |
775 | + | &(local_args_info.vcorr_given), optarg, 0, 0, ARG_NO, |
776 | + | check_ambiguity, override, 0, 0, |
777 | + | "vcorr", 'v', |
778 | + | additional_error)) |
779 | + | goto failure; |
780 | + | |
781 | break; | |
477 | – | |
782 | case 'd': /* dipole correlation function. */ | |
783 | < | 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; |
783 | > | |
784 | if (args_info->dynamicProps_group_counter && override) | |
785 | reset_group_dynamicProps (args_info); | |
786 | args_info->dynamicProps_group_counter += 1; | |
787 | + | |
788 | + | if (update_arg( 0 , |
789 | + | 0 , &(args_info->dcorr_given), |
790 | + | &(local_args_info.dcorr_given), optarg, 0, 0, ARG_NO, |
791 | + | check_ambiguity, override, 0, 0, |
792 | + | "dcorr", 'd', |
793 | + | additional_error)) |
794 | + | goto failure; |
795 | + | |
796 | break; | |
492 | – | |
797 | case 'l': /* Lengendre correlation function. */ | |
798 | < | if (local_args_info.lcorr_given) |
495 | < | { |
496 | < | fprintf (stderr, "%s: `--lcorr' (`-l') option given more than once%s\n", argv[0], (additional_error ? additional_error : "")); |
497 | < | goto failure; |
498 | < | } |
499 | < | if (args_info->lcorr_given && ! override) |
500 | < | continue; |
501 | < | local_args_info.lcorr_given = 1; |
502 | < | args_info->lcorr_given = 1; |
798 | > | |
799 | if (args_info->dynamicProps_group_counter && override) | |
800 | reset_group_dynamicProps (args_info); | |
801 | args_info->dynamicProps_group_counter += 1; | |
802 | + | |
803 | + | if (update_arg( 0 , |
804 | + | 0 , &(args_info->lcorr_given), |
805 | + | &(local_args_info.lcorr_given), optarg, 0, 0, ARG_NO, |
806 | + | check_ambiguity, override, 0, 0, |
807 | + | "lcorr", 'l', |
808 | + | additional_error)) |
809 | + | goto failure; |
810 | + | |
811 | break; | |
812 | < | |
812 | > | case 'M': /* System dipole correlation function. */ |
813 | > | |
814 | > | if (args_info->dynamicProps_group_counter && override) |
815 | > | reset_group_dynamicProps (args_info); |
816 | > | args_info->dynamicProps_group_counter += 1; |
817 | > | |
818 | > | if (update_arg( 0 , |
819 | > | 0 , &(args_info->sdcorr_given), |
820 | > | &(local_args_info.sdcorr_given), optarg, 0, 0, ARG_NO, |
821 | > | check_ambiguity, override, 0, 0, |
822 | > | "sdcorr", 'M', |
823 | > | additional_error)) |
824 | > | goto failure; |
825 | > | |
826 | > | break; |
827 | > | case 'p': /* Helfand momentum for viscosity. */ |
828 | > | |
829 | > | if (args_info->dynamicProps_group_counter && override) |
830 | > | reset_group_dynamicProps (args_info); |
831 | > | args_info->dynamicProps_group_counter += 1; |
832 | > | |
833 | > | if (update_arg( 0 , |
834 | > | 0 , &(args_info->momentum_given), |
835 | > | &(local_args_info.momentum_given), optarg, 0, 0, ARG_NO, |
836 | > | check_ambiguity, override, 0, 0, |
837 | > | "momentum", 'p', |
838 | > | additional_error)) |
839 | > | goto failure; |
840 | > | |
841 | > | break; |
842 | ||
843 | case 0: /* Long option with no short option */ | |
844 | /* select first stuntdouble set. */ | |
845 | if (strcmp (long_options[option_index].name, "sele1") == 0) | |
846 | { | |
847 | < | if (local_args_info.sele1_given) |
848 | < | { |
849 | < | fprintf (stderr, "%s: `--sele1' option given more than once%s\n", argv[0], (additional_error ? additional_error : "")); |
850 | < | goto failure; |
851 | < | } |
852 | < | if (args_info->sele1_given && ! override) |
853 | < | continue; |
854 | < | local_args_info.sele1_given = 1; |
855 | < | args_info->sele1_given = 1; |
856 | < | 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); |
847 | > | |
848 | > | |
849 | > | if (update_arg( (void *)&(args_info->sele1_arg), |
850 | > | &(args_info->sele1_orig), &(args_info->sele1_given), |
851 | > | &(local_args_info.sele1_given), optarg, 0, 0, ARG_STRING, |
852 | > | check_ambiguity, override, 0, 0, |
853 | > | "sele1", '-', |
854 | > | additional_error)) |
855 | > | goto failure; |
856 | > | |
857 | } | |
858 | /* select second stuntdouble set (if sele2 is not set, use script from sele1). */ | |
859 | else if (strcmp (long_options[option_index].name, "sele2") == 0) | |
860 | { | |
861 | < | if (local_args_info.sele2_given) |
862 | < | { |
863 | < | fprintf (stderr, "%s: `--sele2' option given more than once%s\n", argv[0], (additional_error ? additional_error : "")); |
864 | < | goto failure; |
865 | < | } |
866 | < | if (args_info->sele2_given && ! override) |
867 | < | continue; |
868 | < | local_args_info.sele2_given = 1; |
869 | < | args_info->sele2_given = 1; |
870 | < | 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); |
861 | > | |
862 | > | |
863 | > | if (update_arg( (void *)&(args_info->sele2_arg), |
864 | > | &(args_info->sele2_orig), &(args_info->sele2_given), |
865 | > | &(local_args_info.sele2_given), optarg, 0, 0, ARG_STRING, |
866 | > | check_ambiguity, override, 0, 0, |
867 | > | "sele2", '-', |
868 | > | additional_error)) |
869 | > | goto failure; |
870 | > | |
871 | } | |
872 | /* Lengendre Polynomial Order. */ | |
873 | else if (strcmp (long_options[option_index].name, "order") == 0) | |
874 | { | |
875 | < | if (local_args_info.order_given) |
876 | < | { |
877 | < | fprintf (stderr, "%s: `--order' option given more than once%s\n", argv[0], (additional_error ? additional_error : "")); |
878 | < | goto failure; |
879 | < | } |
880 | < | if (args_info->order_given && ! override) |
881 | < | continue; |
882 | < | local_args_info.order_given = 1; |
883 | < | args_info->order_given = 1; |
884 | < | 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); |
875 | > | |
876 | > | |
877 | > | if (update_arg( (void *)&(args_info->order_arg), |
878 | > | &(args_info->order_orig), &(args_info->order_given), |
879 | > | &(local_args_info.order_given), optarg, 0, 0, ARG_INT, |
880 | > | check_ambiguity, override, 0, 0, |
881 | > | "order", '-', |
882 | > | additional_error)) |
883 | > | goto failure; |
884 | > | |
885 | } | |
886 | + | /* Lengendre correlation function binned by Z. */ |
887 | + | else if (strcmp (long_options[option_index].name, "lcorrZ") == 0) |
888 | + | { |
889 | + | |
890 | + | if (args_info->dynamicProps_group_counter && override) |
891 | + | reset_group_dynamicProps (args_info); |
892 | + | args_info->dynamicProps_group_counter += 1; |
893 | + | |
894 | + | if (update_arg( 0 , |
895 | + | 0 , &(args_info->lcorrZ_given), |
896 | + | &(local_args_info.lcorrZ_given), optarg, 0, 0, ARG_NO, |
897 | + | check_ambiguity, override, 0, 0, |
898 | + | "lcorrZ", '-', |
899 | + | additional_error)) |
900 | + | goto failure; |
901 | + | |
902 | + | } |
903 | + | /* Lengendre correlation function for OH bond vectors binned by Z. */ |
904 | + | else if (strcmp (long_options[option_index].name, "cohZ") == 0) |
905 | + | { |
906 | + | |
907 | + | if (args_info->dynamicProps_group_counter && override) |
908 | + | reset_group_dynamicProps (args_info); |
909 | + | args_info->dynamicProps_group_counter += 1; |
910 | + | |
911 | + | if (update_arg( 0 , |
912 | + | 0 , &(args_info->cohZ_given), |
913 | + | &(local_args_info.cohZ_given), optarg, 0, 0, ARG_NO, |
914 | + | check_ambiguity, override, 0, 0, |
915 | + | "cohZ", '-', |
916 | + | additional_error)) |
917 | + | goto failure; |
918 | + | |
919 | + | } |
920 | /* Radial rmsd. */ | |
921 | else if (strcmp (long_options[option_index].name, "r_rcorr") == 0) | |
922 | { | |
923 | < | 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; |
923 | > | |
924 | if (args_info->dynamicProps_group_counter && override) | |
925 | reset_group_dynamicProps (args_info); | |
926 | args_info->dynamicProps_group_counter += 1; | |
927 | < | break; |
927 | > | |
928 | > | if (update_arg( 0 , |
929 | > | 0 , &(args_info->r_rcorr_given), |
930 | > | &(local_args_info.r_rcorr_given), optarg, 0, 0, ARG_NO, |
931 | > | check_ambiguity, override, 0, 0, |
932 | > | "r_rcorr", '-', |
933 | > | additional_error)) |
934 | > | goto failure; |
935 | > | |
936 | } | |
937 | /* Angular rmsd. */ | |
938 | else if (strcmp (long_options[option_index].name, "thetacorr") == 0) | |
939 | { | |
940 | < | 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; |
940 | > | |
941 | if (args_info->dynamicProps_group_counter && override) | |
942 | reset_group_dynamicProps (args_info); | |
943 | args_info->dynamicProps_group_counter += 1; | |
944 | < | break; |
944 | > | |
945 | > | if (update_arg( 0 , |
946 | > | 0 , &(args_info->thetacorr_given), |
947 | > | &(local_args_info.thetacorr_given), optarg, 0, 0, ARG_NO, |
948 | > | check_ambiguity, override, 0, 0, |
949 | > | "thetacorr", '-', |
950 | > | additional_error)) |
951 | > | goto failure; |
952 | > | |
953 | } | |
954 | /* Directional rmsd for particles with unit vectors. */ | |
955 | else if (strcmp (long_options[option_index].name, "drcorr") == 0) | |
956 | { | |
957 | < | 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; |
957 | > | |
958 | if (args_info->dynamicProps_group_counter && override) | |
959 | reset_group_dynamicProps (args_info); | |
960 | args_info->dynamicProps_group_counter += 1; | |
961 | < | break; |
961 | > | |
962 | > | if (update_arg( 0 , |
963 | > | 0 , &(args_info->drcorr_given), |
964 | > | &(local_args_info.drcorr_given), optarg, 0, 0, ARG_NO, |
965 | > | check_ambiguity, override, 0, 0, |
966 | > | "drcorr", '-', |
967 | > | additional_error)) |
968 | > | goto failure; |
969 | > | |
970 | } | |
971 | /* Helfand moment for thermal conductvity. */ | |
972 | else if (strcmp (long_options[option_index].name, "helfandEcorr") == 0) | |
973 | { | |
974 | < | 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; |
974 | > | |
975 | if (args_info->dynamicProps_group_counter && override) | |
976 | reset_group_dynamicProps (args_info); | |
977 | args_info->dynamicProps_group_counter += 1; | |
978 | < | break; |
978 | > | |
979 | > | if (update_arg( 0 , |
980 | > | 0 , &(args_info->helfandEcorr_given), |
981 | > | &(local_args_info.helfandEcorr_given), optarg, 0, 0, ARG_NO, |
982 | > | check_ambiguity, override, 0, 0, |
983 | > | "helfandEcorr", '-', |
984 | > | additional_error)) |
985 | > | goto failure; |
986 | > | |
987 | } | |
988 | + | /* Stress tensor correlation function. */ |
989 | + | else if (strcmp (long_options[option_index].name, "stresscorr") == 0) |
990 | + | { |
991 | ||
992 | + | if (args_info->dynamicProps_group_counter && override) |
993 | + | reset_group_dynamicProps (args_info); |
994 | + | args_info->dynamicProps_group_counter += 1; |
995 | + | |
996 | + | if (update_arg( 0 , |
997 | + | 0 , &(args_info->stresscorr_given), |
998 | + | &(local_args_info.stresscorr_given), optarg, 0, 0, ARG_NO, |
999 | + | check_ambiguity, override, 0, 0, |
1000 | + | "stresscorr", '-', |
1001 | + | additional_error)) |
1002 | + | goto failure; |
1003 | + | |
1004 | + | } |
1005 | + | |
1006 | break; | |
1007 | case '?': /* Invalid option. */ | |
1008 | /* `getopt_long' already printed an error message. */ | |
# | Line 644 | Line 1016 | cmdline_parser_internal (int argc, char * const *argv, | |
1016 | ||
1017 | if (args_info->dynamicProps_group_counter > 1) | |
1018 | { | |
1019 | < | 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 : "")); |
1019 | > | 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 : "")); |
1020 | error = 1; | |
1021 | } | |
1022 | ||
# | Line 660 | Line 1032 | cmdline_parser_internal (int argc, char * const *argv, | |
1032 | if ( error ) | |
1033 | return (EXIT_FAILURE); | |
1034 | ||
1035 | + | if (optind < argc) |
1036 | + | { |
1037 | + | int i = 0 ; |
1038 | + | int found_prog_name = 0; |
1039 | + | /* whether program name, i.e., argv[0], is in the remaining args |
1040 | + | (this may happen with some implementations of getopt, |
1041 | + | but surely not with the one included by gengetopt) */ |
1042 | + | |
1043 | + | i = optind; |
1044 | + | while (i < argc) |
1045 | + | if (argv[i++] == argv[0]) { |
1046 | + | found_prog_name = 1; |
1047 | + | break; |
1048 | + | } |
1049 | + | i = 0; |
1050 | + | |
1051 | + | args_info->inputs_num = argc - optind - found_prog_name; |
1052 | + | args_info->inputs = |
1053 | + | (char **)(malloc ((args_info->inputs_num)*sizeof(char *))) ; |
1054 | + | while (optind < argc) |
1055 | + | if (argv[optind++] != argv[0]) |
1056 | + | args_info->inputs[ i++ ] = gengetopt_strdup (argv[optind-1]) ; |
1057 | + | } |
1058 | + | |
1059 | return 0; | |
1060 | ||
1061 | failure: |
– | Removed lines |
+ | Added lines |
< | Changed lines |
> | Changed lines |