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root/OpenMD/trunk/src/applications/dynamicProps/DynamicPropsCmd.c

Comparing trunk/src/applications/dynamicProps/DynamicPropsCmd.c (file contents):
Revision 1098 by chuckv, Thu Dec 14 19:38:56 2006 UTC vs.
Revision 1596 by gezelter, Mon Jul 25 17:30:53 2011 UTC

#	Line 1 | Line 1
1		/*
2	<	File autogenerated by gengetopt version 2.15
2	>	File autogenerated by gengetopt version 2.22.4
3		generated with the following command:
4	<	gengetopt -i DynamicProps.ggo --file-name=DynamicPropsCmd
4	>	gengetopt -F DynamicPropsCmd -u
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	+	#include <getopt.h>
25	+
26		#include "DynamicPropsCmd.h"
27
28	+	const char *gengetopt_args_info_purpose = "";
29	+
30	+	const char *gengetopt_args_info_usage = "Usage: DynamicProps [OPTIONS]... [FILES]...";
31	+
32	+	const char *gengetopt_args_info_description = "";
33	+
34	+	const char *gengetopt_args_info_help[] = {
35	+	"  -h, --help                    Print help and exit",
36	+	"  -V, --version                 Print version and exit",
37	+	"  -i, --input=filename          input dump file",
38	+	"  -o, --output=filename         output file name",
39	+	"      --sele1=selection script  select first stuntdouble set",
40	+	"      --sele2=selection script  select second stuntdouble set (if sele2 is not \n                                  set, use script from sele1)",
41	+	"      --order=INT               Lengendre Polynomial Order",
42	+	"  -m, --memory=memory specification\n                                Available memory (defaults to 2G)  \n                                  (default=`2G')",
43	+	"\n Group: dynamicProps\n   an option of this group is required",
44	+	"  -r, --rcorr                   rmsd",
45	+	"  -v, --vcorr                   velocity correlation function",
46	+	"  -d, --dcorr                   dipole correlation function",
47	+	"  -l, --lcorr                   Lengendre correlation function",
48	+	"      --r_rcorr                 Radial rmsd",
49	+	"      --thetacorr               Angular rmsd",
50	+	"      --drcorr                  Directional rmsd for particles with unit \n                                  vectors",
51	+	"      --helfandEcorr            Helfand moment for thermal conductvity",
52	+	"      --stresscorr              Stress tensor correlation function",
53	+	0
54	+	};
55	+
56	+	typedef enum {ARG_NO
57	+	, ARG_STRING
58	+	, ARG_INT
59	+	} cmdline_parser_arg_type;
60	+
61		static
62		void clear_given (struct gengetopt_args_info *args_info);
63		static
64		void clear_args (struct gengetopt_args_info *args_info);
65
66		static int
67	<	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);
67	>	cmdline_parser_internal (int argc, char **argv, struct gengetopt_args_info *args_info,
68	>	struct cmdline_parser_params *params, const char *additional_error);
69
70		static int
71		cmdline_parser_required2 (struct gengetopt_args_info *args_info, const char *prog_name, const char *additional_error);
#	Line 45 | Line 83 | void clear_given (struct gengetopt_args_info *args_inf
83		args_info->sele1_given = 0 ;
84		args_info->sele2_given = 0 ;
85		args_info->order_given = 0 ;
86	+	args_info->memory_given = 0 ;
87		args_info->rcorr_given = 0 ;
88		args_info->vcorr_given = 0 ;
89		args_info->dcorr_given = 0 ;
90		args_info->lcorr_given = 0 ;
91		args_info->r_rcorr_given = 0 ;
92	+	args_info->thetacorr_given = 0 ;
93	+	args_info->drcorr_given = 0 ;
94	+	args_info->helfandEcorr_given = 0 ;
95	+	args_info->stresscorr_given = 0 ;
96		args_info->dynamicProps_group_counter = 0 ;
97		}
98
99		static
100		void clear_args (struct gengetopt_args_info *args_info)
101		{
102	+	FIX_UNUSED (args_info);
103		args_info->input_arg = NULL;
104		args_info->input_orig = NULL;
105		args_info->output_arg = NULL;
#	Line 65 | Line 109 | void clear_args (struct gengetopt_args_info *args_info
109		args_info->sele2_arg = NULL;
110		args_info->sele2_orig = NULL;
111		args_info->order_orig = NULL;
112	+	args_info->memory_arg = gengetopt_strdup ("2G");
113	+	args_info->memory_orig = NULL;
114
115		}
116
117	+	static
118	+	void init_args_info(struct gengetopt_args_info *args_info)
119	+	{
120	+
121	+
122	+	args_info->help_help = gengetopt_args_info_help[0] ;
123	+	args_info->version_help = gengetopt_args_info_help[1] ;
124	+	args_info->input_help = gengetopt_args_info_help[2] ;
125	+	args_info->output_help = gengetopt_args_info_help[3] ;
126	+	args_info->sele1_help = gengetopt_args_info_help[4] ;
127	+	args_info->sele2_help = gengetopt_args_info_help[5] ;
128	+	args_info->order_help = gengetopt_args_info_help[6] ;
129	+	args_info->memory_help = gengetopt_args_info_help[7] ;
130	+	args_info->rcorr_help = gengetopt_args_info_help[9] ;
131	+	args_info->vcorr_help = gengetopt_args_info_help[10] ;
132	+	args_info->dcorr_help = gengetopt_args_info_help[11] ;
133	+	args_info->lcorr_help = gengetopt_args_info_help[12] ;
134	+	args_info->r_rcorr_help = gengetopt_args_info_help[13] ;
135	+	args_info->thetacorr_help = gengetopt_args_info_help[14] ;
136	+	args_info->drcorr_help = gengetopt_args_info_help[15] ;
137	+	args_info->helfandEcorr_help = gengetopt_args_info_help[16] ;
138	+	args_info->stresscorr_help = gengetopt_args_info_help[17] ;
139	+
140	+	}
141	+
142		void
143		cmdline_parser_print_version (void)
144		{
145	<	printf ("%s %s\n", CMDLINE_PARSER_PACKAGE, CMDLINE_PARSER_VERSION);
145	>	printf ("%s %s\n",
146	>	(strlen(CMDLINE_PARSER_PACKAGE_NAME) ? CMDLINE_PARSER_PACKAGE_NAME : CMDLINE_PARSER_PACKAGE),
147	>	CMDLINE_PARSER_VERSION);
148		}
149
150	+	static void print_help_common(void) {
151	+	cmdline_parser_print_version ();
152	+
153	+	if (strlen(gengetopt_args_info_purpose) > 0)
154	+	printf("\n%s\n", gengetopt_args_info_purpose);
155	+
156	+	if (strlen(gengetopt_args_info_usage) > 0)
157	+	printf("\n%s\n", gengetopt_args_info_usage);
158	+
159	+	printf("\n");
160	+
161	+	if (strlen(gengetopt_args_info_description) > 0)
162	+	printf("%s\n\n", gengetopt_args_info_description);
163	+	}
164	+
165		void
166		cmdline_parser_print_help (void)
167		{
168	<	cmdline_parser_print_version ();
169	<	printf("\nUsage: DynamicProps [OPTIONS]...\n\n");
170	<	printf("%s\n","  -h, --help                    Print help and exit");
171	<	printf("%s\n","  -V, --version                 Print version and exit");
84	<	printf("%s\n","  -i, --input=filename          input dump file");
85	<	printf("%s\n","  -o, --output=filename         output file name");
86	<	printf("%s\n","      --sele1=selection script  select first stuntdouble set");
87	<	printf("%s\n","      --sele2=selection script  select second stuntdouble set (if sele2 is not \n                                  set, use script from sele1)");
88	<	printf("%s\n","      --order=INT               Lengendre Polynomial Order");
89	<	printf("%s\n","\n Group: dynamicProps\n   an option of this group is required");
90	<	printf("%s\n","  -r, --rcorr                   rmsd");
91	<	printf("%s\n","  -v, --vcorr                   velocity correlation function");
92	<	printf("%s\n","  -d, --dcorr                   dipole correlation function");
93	<	printf("%s\n","  -l, --lcorr                   Lengendre correlation function");
94	<	printf("%s\n","      --r_rcorr                 Radial rmsd");
95	<
168	>	int i = 0;
169	>	print_help_common();
170	>	while (gengetopt_args_info_help[i])
171	>	printf("%s\n", gengetopt_args_info_help[i++]);
172		}
173
174		void
#	Line 100 | Line 176 | cmdline_parser_init (struct gengetopt_args_info *args_
176		{
177		clear_given (args_info);
178		clear_args (args_info);
179	+	init_args_info (args_info);
180	+
181	+	args_info->inputs = 0;
182	+	args_info->inputs_num = 0;
183		}
184
185	+	void
186	+	cmdline_parser_params_init(struct cmdline_parser_params *params)
187	+	{
188	+	if (params)
189	+	{
190	+	params->override = 0;
191	+	params->initialize = 1;
192	+	params->check_required = 1;
193	+	params->check_ambiguity = 0;
194	+	params->print_errors = 1;
195	+	}
196	+	}
197	+
198	+	struct cmdline_parser_params *
199	+	cmdline_parser_params_create(void)
200	+	{
201	+	struct cmdline_parser_params *params =
202	+	(struct cmdline_parser_params *)malloc(sizeof(struct cmdline_parser_params));
203	+	cmdline_parser_params_init(params);
204	+	return params;
205	+	}
206	+
207		static void
208	<	cmdline_parser_release (struct gengetopt_args_info *args_info)
208	>	free_string_field (char **s)
209		{
210	<
109	<	if (args_info->input_arg)
210	>	if (*s)
211		{
212	<	free (args_info->input_arg); /* free previous argument */
213	<	args_info->input_arg = 0;
212	>	free (*s);
213	>	*s = 0;
214		}
215	<	if (args_info->input_orig)
216	<	{
217	<	free (args_info->input_orig); /* free previous argument */
218	<	args_info->input_orig = 0;
219	<	}
220	<	if (args_info->output_arg)
221	<	{
222	<	free (args_info->output_arg); /* free previous argument */
223	<	args_info->output_arg = 0;
224	<	}
225	<	if (args_info->output_orig)
226	<	{
227	<	free (args_info->output_orig); /* free previous argument */
228	<	args_info->output_orig = 0;
229	<	}
230	<	if (args_info->sele1_arg)
231	<	{
232	<	free (args_info->sele1_arg); /* free previous argument */
233	<	args_info->sele1_arg = 0;
234	<	}
235	<	if (args_info->sele1_orig)
236	<	{
237	<	free (args_info->sele1_orig); /* free previous argument */
238	<	args_info->sele1_orig = 0;
239	<	}
240	<	if (args_info->sele2_arg)
241	<	{
242	<	free (args_info->sele2_arg); /* free previous argument */
243	<	args_info->sele2_arg = 0;
244	<	}
245	<	if (args_info->sele2_orig)
246	<	{
247	<	free (args_info->sele2_orig); /* free previous argument */
248	<	args_info->sele2_orig = 0;
249	<	}
250	<	if (args_info->order_orig)
215	>	}
216	>
217	>
218	>	static void
219	>	cmdline_parser_release (struct gengetopt_args_info *args_info)
220	>	{
221	>	unsigned int i;
222	>	free_string_field (&(args_info->input_arg));
223	>	free_string_field (&(args_info->input_orig));
224	>	free_string_field (&(args_info->output_arg));
225	>	free_string_field (&(args_info->output_orig));
226	>	free_string_field (&(args_info->sele1_arg));
227	>	free_string_field (&(args_info->sele1_orig));
228	>	free_string_field (&(args_info->sele2_arg));
229	>	free_string_field (&(args_info->sele2_orig));
230	>	free_string_field (&(args_info->order_orig));
231	>	free_string_field (&(args_info->memory_arg));
232	>	free_string_field (&(args_info->memory_orig));
233	>
234	>
235	>	for (i = 0; i < args_info->inputs_num; ++i)
236	>	free (args_info->inputs [i]);
237	>
238	>	if (args_info->inputs_num)
239	>	free (args_info->inputs);
240	>
241	>	clear_given (args_info);
242	>	}
243	>
244	>
245	>	static void
246	>	write_into_file(FILE *outfile, const char *opt, const char *arg, const char *values[])
247	>	{
248	>	FIX_UNUSED (values);
249	>	if (arg) {
250	>	fprintf(outfile, "%s=\"%s\"\n", opt, arg);
251	>	} else {
252	>	fprintf(outfile, "%s\n", opt);
253	>	}
254	>	}
255	>
256	>
257	>	int
258	>	cmdline_parser_dump(FILE *outfile, struct gengetopt_args_info *args_info)
259	>	{
260	>	int i = 0;
261	>
262	>	if (!outfile)
263		{
264	<	free (args_info->order_orig); /* free previous argument */
265	<	args_info->order_orig = 0;
264	>	fprintf (stderr, "%s: cannot dump options to stream\n", CMDLINE_PARSER_PACKAGE);
265	>	return EXIT_FAILURE;
266		}
267	+
268	+	if (args_info->help_given)
269	+	write_into_file(outfile, "help", 0, 0 );
270	+	if (args_info->version_given)
271	+	write_into_file(outfile, "version", 0, 0 );
272	+	if (args_info->input_given)
273	+	write_into_file(outfile, "input", args_info->input_orig, 0);
274	+	if (args_info->output_given)
275	+	write_into_file(outfile, "output", args_info->output_orig, 0);
276	+	if (args_info->sele1_given)
277	+	write_into_file(outfile, "sele1", args_info->sele1_orig, 0);
278	+	if (args_info->sele2_given)
279	+	write_into_file(outfile, "sele2", args_info->sele2_orig, 0);
280	+	if (args_info->order_given)
281	+	write_into_file(outfile, "order", args_info->order_orig, 0);
282	+	if (args_info->memory_given)
283	+	write_into_file(outfile, "memory", args_info->memory_orig, 0);
284	+	if (args_info->rcorr_given)
285	+	write_into_file(outfile, "rcorr", 0, 0 );
286	+	if (args_info->vcorr_given)
287	+	write_into_file(outfile, "vcorr", 0, 0 );
288	+	if (args_info->dcorr_given)
289	+	write_into_file(outfile, "dcorr", 0, 0 );
290	+	if (args_info->lcorr_given)
291	+	write_into_file(outfile, "lcorr", 0, 0 );
292	+	if (args_info->r_rcorr_given)
293	+	write_into_file(outfile, "r_rcorr", 0, 0 );
294	+	if (args_info->thetacorr_given)
295	+	write_into_file(outfile, "thetacorr", 0, 0 );
296	+	if (args_info->drcorr_given)
297	+	write_into_file(outfile, "drcorr", 0, 0 );
298	+	if (args_info->helfandEcorr_given)
299	+	write_into_file(outfile, "helfandEcorr", 0, 0 );
300	+	if (args_info->stresscorr_given)
301	+	write_into_file(outfile, "stresscorr", 0, 0 );
302
303	<	clear_given (args_info);
303	>
304	>	i = EXIT_SUCCESS;
305	>	return i;
306		}
307
308		int
#	Line 169 | Line 319 | cmdline_parser_file_save(const char *filename, struct
319		return EXIT_FAILURE;
320		}
321
322	<	if (args_info->help_given) {
173	<	fprintf(outfile, "%s\n", "help");
174	<	}
175	<	if (args_info->version_given) {
176	<	fprintf(outfile, "%s\n", "version");
177	<	}
178	<	if (args_info->input_given) {
179	<	if (args_info->input_orig) {
180	<	fprintf(outfile, "%s=\"%s\"\n", "input", args_info->input_orig);
181	<	} else {
182	<	fprintf(outfile, "%s\n", "input");
183	<	}
184	<	}
185	<	if (args_info->output_given) {
186	<	if (args_info->output_orig) {
187	<	fprintf(outfile, "%s=\"%s\"\n", "output", args_info->output_orig);
188	<	} else {
189	<	fprintf(outfile, "%s\n", "output");
190	<	}
191	<	}
192	<	if (args_info->sele1_given) {
193	<	if (args_info->sele1_orig) {
194	<	fprintf(outfile, "%s=\"%s\"\n", "sele1", args_info->sele1_orig);
195	<	} else {
196	<	fprintf(outfile, "%s\n", "sele1");
197	<	}
198	<	}
199	<	if (args_info->sele2_given) {
200	<	if (args_info->sele2_orig) {
201	<	fprintf(outfile, "%s=\"%s\"\n", "sele2", args_info->sele2_orig);
202	<	} else {
203	<	fprintf(outfile, "%s\n", "sele2");
204	<	}
205	<	}
206	<	if (args_info->order_given) {
207	<	if (args_info->order_orig) {
208	<	fprintf(outfile, "%s=\"%s\"\n", "order", args_info->order_orig);
209	<	} else {
210	<	fprintf(outfile, "%s\n", "order");
211	<	}
212	<	}
213	<	if (args_info->rcorr_given) {
214	<	fprintf(outfile, "%s\n", "rcorr");
215	<	}
216	<	if (args_info->vcorr_given) {
217	<	fprintf(outfile, "%s\n", "vcorr");
218	<	}
219	<	if (args_info->dcorr_given) {
220	<	fprintf(outfile, "%s\n", "dcorr");
221	<	}
222	<	if (args_info->lcorr_given) {
223	<	fprintf(outfile, "%s\n", "lcorr");
224	<	}
225	<	if (args_info->r_rcorr_given) {
226	<	fprintf(outfile, "%s\n", "r_rcorr");
227	<	}
228	<
322	>	i = cmdline_parser_dump(outfile, args_info);
323		fclose (outfile);
324
231	–	i = EXIT_SUCCESS;
325		return i;
326		}
327
#	Line 238 | Line 331 | cmdline_parser_free (struct gengetopt_args_info *args_
331		cmdline_parser_release (args_info);
332		}
333
334	<
242	<	/* gengetopt_strdup() */
243	<	/* strdup.c replacement of strdup, which is not standard */
334	>	/** @brief replacement of strdup, which is not standard */
335		char *
336		gengetopt_strdup (const char *s)
337		{
338	<	char *result = NULL;
338	>	char *result = 0;
339		if (!s)
340		return result;
341
#	Line 256 | Line 347 | static void
347		}
348
349		static void
259	–	reset_group_dynamicProps(struct gengetopt_args_info *args_info);
260	–
261	–	static void
350		reset_group_dynamicProps(struct gengetopt_args_info *args_info)
351		{
352		if (! args_info->dynamicProps_group_counter)
#	Line 269 | Line 357 | reset_group_dynamicProps(struct gengetopt_args_info *a
357		args_info->dcorr_given = 0 ;
358		args_info->lcorr_given = 0 ;
359		args_info->r_rcorr_given = 0 ;
360	+	args_info->thetacorr_given = 0 ;
361	+	args_info->drcorr_given = 0 ;
362	+	args_info->helfandEcorr_given = 0 ;
363	+	args_info->stresscorr_given = 0 ;
364
365		args_info->dynamicProps_group_counter = 0;
366		}
367
368		int
369	<	cmdline_parser (int argc, char * const *argv, struct gengetopt_args_info *args_info)
369	>	cmdline_parser (int argc, char **argv, struct gengetopt_args_info *args_info)
370		{
371		return cmdline_parser2 (argc, argv, args_info, 0, 1, 1);
372		}
373
374		int
375	<	cmdline_parser2 (int argc, char * const *argv, struct gengetopt_args_info *args_info, int override, int initialize, int check_required)
375	>	cmdline_parser_ext (int argc, char **argv, struct gengetopt_args_info *args_info,
376	>	struct cmdline_parser_params *params)
377		{
378		int result;
379	+	result = cmdline_parser_internal (argc, argv, args_info, params, 0);
380
381	<	result = cmdline_parser_internal (argc, argv, args_info, override, initialize, check_required, NULL);
381	>	if (result == EXIT_FAILURE)
382	>	{
383	>	cmdline_parser_free (args_info);
384	>	exit (EXIT_FAILURE);
385	>	}
386	>
387	>	return result;
388	>	}
389
390	+	int
391	+	cmdline_parser2 (int argc, char **argv, struct gengetopt_args_info *args_info, int override, int initialize, int check_required)
392	+	{
393	+	int result;
394	+	struct cmdline_parser_params params;
395	+
396	+	params.override = override;
397	+	params.initialize = initialize;
398	+	params.check_required = check_required;
399	+	params.check_ambiguity = 0;
400	+	params.print_errors = 1;
401	+
402	+	result = cmdline_parser_internal (argc, argv, args_info, &params, 0);
403	+
404		if (result == EXIT_FAILURE)
405		{
406		cmdline_parser_free (args_info);
#	Line 300 | Line 415 | cmdline_parser_required (struct gengetopt_args_info *a
415		{
416		int result = EXIT_SUCCESS;
417
418	<	if (cmdline_parser_required2(args_info, prog_name, NULL) > 0)
418	>	if (cmdline_parser_required2(args_info, prog_name, 0) > 0)
419		result = EXIT_FAILURE;
420
421		if (result == EXIT_FAILURE)
#	Line 316 | Line 431 | cmdline_parser_required2 (struct gengetopt_args_info *
431		cmdline_parser_required2 (struct gengetopt_args_info *args_info, const char *prog_name, const char *additional_error)
432		{
433		int error = 0;
434	+	FIX_UNUSED (additional_error);
435
436	+	/* checks for required options */
437		if (! args_info->input_given)
438		{
439		fprintf (stderr, "%s: '--input' ('-i') option required%s\n", prog_name, (additional_error ? additional_error : ""));
440		error = 1;
441		}
442	+
443		if (args_info->dynamicProps_group_counter == 0)
444		{
445	<	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 : ""));
445	>	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 : ""));
446		error = 1;
447		}
448
449
450	+	/* checks for dependences among options */
451	+
452		return error;
453		}
454
455	+
456	+	static char *package_name = 0;
457	+
458	+	/**
459	+	* @brief updates an option
460	+	* @param field the generic pointer to the field to update
461	+	* @param orig_field the pointer to the orig field
462	+	* @param field_given the pointer to the number of occurrence of this option
463	+	* @param prev_given the pointer to the number of occurrence already seen
464	+	* @param value the argument for this option (if null no arg was specified)
465	+	* @param possible_values the possible values for this option (if specified)
466	+	* @param default_value the default value (in case the option only accepts fixed values)
467	+	* @param arg_type the type of this option
468	+	* @param check_ambiguity @see cmdline_parser_params.check_ambiguity
469	+	* @param override @see cmdline_parser_params.override
470	+	* @param no_free whether to free a possible previous value
471	+	* @param multiple_option whether this is a multiple option
472	+	* @param long_opt the corresponding long option
473	+	* @param short_opt the corresponding short option (or '-' if none)
474	+	* @param additional_error possible further error specification
475	+	*/
476	+	static
477	+	int update_arg(void *field, char **orig_field,
478	+	unsigned int *field_given, unsigned int *prev_given,
479	+	char *value, const char *possible_values[],
480	+	const char *default_value,
481	+	cmdline_parser_arg_type arg_type,
482	+	int check_ambiguity, int override,
483	+	int no_free, int multiple_option,
484	+	const char *long_opt, char short_opt,
485	+	const char *additional_error)
486	+	{
487	+	char *stop_char = 0;
488	+	const char *val = value;
489	+	int found;
490	+	char **string_field;
491	+	FIX_UNUSED (field);
492	+
493	+	stop_char = 0;
494	+	found = 0;
495	+
496	+	if (!multiple_option && prev_given && (*prev_given || (check_ambiguity && *field_given)))
497	+	{
498	+	if (short_opt != '-')
499	+	fprintf (stderr, "%s: `--%s' (`-%c') option given more than once%s\n",
500	+	package_name, long_opt, short_opt,
501	+	(additional_error ? additional_error : ""));
502	+	else
503	+	fprintf (stderr, "%s: `--%s' option given more than once%s\n",
504	+	package_name, long_opt,
505	+	(additional_error ? additional_error : ""));
506	+	return 1; /* failure */
507	+	}
508	+
509	+	FIX_UNUSED (default_value);
510	+
511	+	if (field_given && *field_given && ! override)
512	+	return 0;
513	+	if (prev_given)
514	+	(*prev_given)++;
515	+	if (field_given)
516	+	(*field_given)++;
517	+	if (possible_values)
518	+	val = possible_values[found];
519	+
520	+	switch(arg_type) {
521	+	case ARG_INT:
522	+	if (val) *((int *)field) = strtol (val, &stop_char, 0);
523	+	break;
524	+	case ARG_STRING:
525	+	if (val) {
526	+	string_field = (char **)field;
527	+	if (!no_free && *string_field)
528	+	free (*string_field); /* free previous string */
529	+	*string_field = gengetopt_strdup (val);
530	+	}
531	+	break;
532	+	default:
533	+	break;
534	+	};
535	+
536	+	/* check numeric conversion */
537	+	switch(arg_type) {
538	+	case ARG_INT:
539	+	if (val && !(stop_char && *stop_char == '\0')) {
540	+	fprintf(stderr, "%s: invalid numeric value: %s\n", package_name, val);
541	+	return 1; /* failure */
542	+	}
543	+	break;
544	+	default:
545	+	;
546	+	};
547	+
548	+	/* store the original value */
549	+	switch(arg_type) {
550	+	case ARG_NO:
551	+	break;
552	+	default:
553	+	if (value && orig_field) {
554	+	if (no_free) {
555	+	*orig_field = value;
556	+	} else {
557	+	if (*orig_field)
558	+	free (*orig_field); /* free previous string */
559	+	*orig_field = gengetopt_strdup (value);
560	+	}
561	+	}
562	+	};
563	+
564	+	return 0; /* OK */
565	+	}
566	+
567	+
568		int
569	<	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)
569	>	cmdline_parser_internal (
570	>	int argc, char **argv, struct gengetopt_args_info *args_info,
571	>	struct cmdline_parser_params *params, const char *additional_error)
572		{
573		int c;        /* Character of the parsed option.  */
574
575		int error = 0;
576		struct gengetopt_args_info local_args_info;
577	+
578	+	int override;
579	+	int initialize;
580	+	int check_required;
581	+	int check_ambiguity;
582	+
583	+	package_name = argv[0];
584	+
585	+	override = params->override;
586	+	initialize = params->initialize;
587	+	check_required = params->check_required;
588	+	check_ambiguity = params->check_ambiguity;
589
590		if (initialize)
591		cmdline_parser_init (args_info);
#	Line 346 | Line 593 | cmdline_parser_internal (int argc, char * const *argv,
593		cmdline_parser_init (&local_args_info);
594
595		optarg = 0;
596	<	optind = 1;
597	<	opterr = 1;
596	>	optind = 0;
597	>	opterr = params->print_errors;
598		optopt = '?';
599
600		while (1)
601		{
602		int option_index = 0;
356	–	char *stop_char;
603
604		static struct option long_options[] = {
605		{ "help",       0, NULL, 'h' },
#	Line 363 | Line 609 | cmdline_parser_internal (int argc, char * const *argv,
609		{ "sele1",      1, NULL, 0 },
610		{ "sele2",      1, NULL, 0 },
611		{ "order",      1, NULL, 0 },
612	+	{ "memory",     1, NULL, 'm' },
613		{ "rcorr",      0, NULL, 'r' },
614		{ "vcorr",      0, NULL, 'v' },
615		{ "dcorr",      0, NULL, 'd' },
616		{ "lcorr",      0, NULL, 'l' },
617		{ "r_rcorr",    0, NULL, 0 },
618	<	{ NULL, 0, NULL, 0 }
618	>	{ "thetacorr",  0, NULL, 0 },
619	>	{ "drcorr",     0, NULL, 0 },
620	>	{ "helfandEcorr",       0, NULL, 0 },
621	>	{ "stresscorr", 0, NULL, 0 },
622	>	{ 0,  0, 0, 0 }
623		};
624
625	<	stop_char = 0;
375	<	c = getopt_long (argc, argv, "hVi:o:rvdl", long_options, &option_index);
625	>	c = getopt_long (argc, argv, "hVi:o:m:rvdl", long_options, &option_index);
626
627		if (c == -1) break;       /* Exit from `while (1)' loop.  */
628
#	Line 389 | Line 639 | cmdline_parser_internal (int argc, char * const *argv,
639		exit (EXIT_SUCCESS);
640
641		case 'i':       /* input dump file.  */
642	<	if (local_args_info.input_given)
643	<	{
644	<	fprintf (stderr, "%s: `--input' (`-i') option given more than once%s\n", argv[0], (additional_error ? additional_error : ""));
645	<	goto failure;
646	<	}
647	<	if (args_info->input_given && ! override)
648	<	continue;
649	<	local_args_info.input_given = 1;
650	<	args_info->input_given = 1;
651	<	if (args_info->input_arg)
402	<	free (args_info->input_arg); /* free previous string */
403	<	args_info->input_arg = gengetopt_strdup (optarg);
404	<	if (args_info->input_orig)
405	<	free (args_info->input_orig); /* free previous string */
406	<	args_info->input_orig = gengetopt_strdup (optarg);
642	>
643	>
644	>	if (update_arg( (void *)&(args_info->input_arg),
645	>	&(args_info->input_orig), &(args_info->input_given),
646	>	&(local_args_info.input_given), optarg, 0, 0, ARG_STRING,
647	>	check_ambiguity, override, 0, 0,
648	>	"input", 'i',
649	>	additional_error))
650	>	goto failure;
651	>
652		break;
408	–
653		case 'o':       /* output file name.  */
654	<	if (local_args_info.output_given)
655	<	{
656	<	fprintf (stderr, "%s: `--output' (`-o') option given more than once%s\n", argv[0], (additional_error ? additional_error : ""));
657	<	goto failure;
658	<	}
659	<	if (args_info->output_given && ! override)
660	<	continue;
661	<	local_args_info.output_given = 1;
662	<	args_info->output_given = 1;
663	<	if (args_info->output_arg)
420	<	free (args_info->output_arg); /* free previous string */
421	<	args_info->output_arg = gengetopt_strdup (optarg);
422	<	if (args_info->output_orig)
423	<	free (args_info->output_orig); /* free previous string */
424	<	args_info->output_orig = gengetopt_strdup (optarg);
654	>
655	>
656	>	if (update_arg( (void *)&(args_info->output_arg),
657	>	&(args_info->output_orig), &(args_info->output_given),
658	>	&(local_args_info.output_given), optarg, 0, 0, ARG_STRING,
659	>	check_ambiguity, override, 0, 0,
660	>	"output", 'o',
661	>	additional_error))
662	>	goto failure;
663	>
664		break;
665	<
665	>	case 'm':       /* Available memory (defaults to 2G).  */
666	>
667	>
668	>	if (update_arg( (void *)&(args_info->memory_arg),
669	>	&(args_info->memory_orig), &(args_info->memory_given),
670	>	&(local_args_info.memory_given), optarg, 0, "2G", ARG_STRING,
671	>	check_ambiguity, override, 0, 0,
672	>	"memory", 'm',
673	>	additional_error))
674	>	goto failure;
675	>
676	>	break;
677		case 'r':       /* rmsd.  */
678	<	if (local_args_info.rcorr_given)
429	<	{
430	<	fprintf (stderr, "%s: `--rcorr' (`-r') option given more than once%s\n", argv[0], (additional_error ? additional_error : ""));
431	<	goto failure;
432	<	}
433	<	if (args_info->rcorr_given && ! override)
434	<	continue;
435	<	local_args_info.rcorr_given = 1;
436	<	args_info->rcorr_given = 1;
678	>
679		if (args_info->dynamicProps_group_counter && override)
680		reset_group_dynamicProps (args_info);
681		args_info->dynamicProps_group_counter += 1;
682	+
683	+	if (update_arg( 0 ,
684	+	0 , &(args_info->rcorr_given),
685	+	&(local_args_info.rcorr_given), optarg, 0, 0, ARG_NO,
686	+	check_ambiguity, override, 0, 0,
687	+	"rcorr", 'r',
688	+	additional_error))
689	+	goto failure;
690	+
691		break;
441	–
692		case 'v':       /* velocity correlation function.  */
693	<	if (local_args_info.vcorr_given)
444	<	{
445	<	fprintf (stderr, "%s: `--vcorr' (`-v') option given more than once%s\n", argv[0], (additional_error ? additional_error : ""));
446	<	goto failure;
447	<	}
448	<	if (args_info->vcorr_given && ! override)
449	<	continue;
450	<	local_args_info.vcorr_given = 1;
451	<	args_info->vcorr_given = 1;
693	>
694		if (args_info->dynamicProps_group_counter && override)
695		reset_group_dynamicProps (args_info);
696		args_info->dynamicProps_group_counter += 1;
697	+
698	+	if (update_arg( 0 ,
699	+	0 , &(args_info->vcorr_given),
700	+	&(local_args_info.vcorr_given), optarg, 0, 0, ARG_NO,
701	+	check_ambiguity, override, 0, 0,
702	+	"vcorr", 'v',
703	+	additional_error))
704	+	goto failure;
705	+
706		break;
456	–
707		case 'd':       /* dipole correlation function.  */
708	<	if (local_args_info.dcorr_given)
459	<	{
460	<	fprintf (stderr, "%s: `--dcorr' (`-d') option given more than once%s\n", argv[0], (additional_error ? additional_error : ""));
461	<	goto failure;
462	<	}
463	<	if (args_info->dcorr_given && ! override)
464	<	continue;
465	<	local_args_info.dcorr_given = 1;
466	<	args_info->dcorr_given = 1;
708	>
709		if (args_info->dynamicProps_group_counter && override)
710		reset_group_dynamicProps (args_info);
711		args_info->dynamicProps_group_counter += 1;
712	<	break;
713	<
712	>
713	>	if (update_arg( 0 ,
714	>	0 , &(args_info->dcorr_given),
715	>	&(local_args_info.dcorr_given), optarg, 0, 0, ARG_NO,
716	>	check_ambiguity, override, 0, 0,
717	>	"dcorr", 'd',
718	>	additional_error))
719	>	goto failure;
720	>
721	>	break;
722		case 'l':       /* Lengendre correlation function.  */
723	<	if (local_args_info.lcorr_given)
474	<	{
475	<	fprintf (stderr, "%s: `--lcorr' (`-l') option given more than once%s\n", argv[0], (additional_error ? additional_error : ""));
476	<	goto failure;
477	<	}
478	<	if (args_info->lcorr_given && ! override)
479	<	continue;
480	<	local_args_info.lcorr_given = 1;
481	<	args_info->lcorr_given = 1;
723	>
724		if (args_info->dynamicProps_group_counter && override)
725		reset_group_dynamicProps (args_info);
726		args_info->dynamicProps_group_counter += 1;
727	+
728	+	if (update_arg( 0 ,
729	+	0 , &(args_info->lcorr_given),
730	+	&(local_args_info.lcorr_given), optarg, 0, 0, ARG_NO,
731	+	check_ambiguity, override, 0, 0,
732	+	"lcorr", 'l',
733	+	additional_error))
734	+	goto failure;
735	+
736		break;
737
487	–
738		case 0: /* Long option with no short option */
739		/* select first stuntdouble set.  */
740		if (strcmp (long_options[option_index].name, "sele1") == 0)
741		{
742	<	if (local_args_info.sele1_given)
743	<	{
744	<	fprintf (stderr, "%s: `--sele1' option given more than once%s\n", argv[0], (additional_error ? additional_error : ""));
745	<	goto failure;
746	<	}
747	<	if (args_info->sele1_given && ! override)
748	<	continue;
749	<	local_args_info.sele1_given = 1;
750	<	args_info->sele1_given = 1;
751	<	if (args_info->sele1_arg)
502	<	free (args_info->sele1_arg); /* free previous string */
503	<	args_info->sele1_arg = gengetopt_strdup (optarg);
504	<	if (args_info->sele1_orig)
505	<	free (args_info->sele1_orig); /* free previous string */
506	<	args_info->sele1_orig = gengetopt_strdup (optarg);
742	>
743	>
744	>	if (update_arg( (void *)&(args_info->sele1_arg),
745	>	&(args_info->sele1_orig), &(args_info->sele1_given),
746	>	&(local_args_info.sele1_given), optarg, 0, 0, ARG_STRING,
747	>	check_ambiguity, override, 0, 0,
748	>	"sele1", '-',
749	>	additional_error))
750	>	goto failure;
751	>
752		}
753		/* select second stuntdouble set (if sele2 is not set, use script from sele1).  */
754		else if (strcmp (long_options[option_index].name, "sele2") == 0)
755		{
756	<	if (local_args_info.sele2_given)
757	<	{
758	<	fprintf (stderr, "%s: `--sele2' option given more than once%s\n", argv[0], (additional_error ? additional_error : ""));
759	<	goto failure;
760	<	}
761	<	if (args_info->sele2_given && ! override)
762	<	continue;
763	<	local_args_info.sele2_given = 1;
764	<	args_info->sele2_given = 1;
765	<	if (args_info->sele2_arg)
521	<	free (args_info->sele2_arg); /* free previous string */
522	<	args_info->sele2_arg = gengetopt_strdup (optarg);
523	<	if (args_info->sele2_orig)
524	<	free (args_info->sele2_orig); /* free previous string */
525	<	args_info->sele2_orig = gengetopt_strdup (optarg);
756	>
757	>
758	>	if (update_arg( (void *)&(args_info->sele2_arg),
759	>	&(args_info->sele2_orig), &(args_info->sele2_given),
760	>	&(local_args_info.sele2_given), optarg, 0, 0, ARG_STRING,
761	>	check_ambiguity, override, 0, 0,
762	>	"sele2", '-',
763	>	additional_error))
764	>	goto failure;
765	>
766		}
767		/* Lengendre Polynomial Order.  */
768		else if (strcmp (long_options[option_index].name, "order") == 0)
769		{
770	<	if (local_args_info.order_given)
771	<	{
772	<	fprintf (stderr, "%s: `--order' option given more than once%s\n", argv[0], (additional_error ? additional_error : ""));
773	<	goto failure;
774	<	}
775	<	if (args_info->order_given && ! override)
776	<	continue;
777	<	local_args_info.order_given = 1;
538	<	args_info->order_given = 1;
539	<	args_info->order_arg = strtol (optarg, &stop_char, 0);
540	<	if (!(stop_char && *stop_char == '\0')) {
541	<	fprintf(stderr, "%s: invalid numeric value: %s\n", argv[0], optarg);
770	>
771	>
772	>	if (update_arg( (void *)&(args_info->order_arg),
773	>	&(args_info->order_orig), &(args_info->order_given),
774	>	&(local_args_info.order_given), optarg, 0, 0, ARG_INT,
775	>	check_ambiguity, override, 0, 0,
776	>	"order", '-',
777	>	additional_error))
778		goto failure;
779	<	}
544	<	if (args_info->order_orig)
545	<	free (args_info->order_orig); /* free previous string */
546	<	args_info->order_orig = gengetopt_strdup (optarg);
779	>
780		}
781		/* Radial rmsd.  */
782		else if (strcmp (long_options[option_index].name, "r_rcorr") == 0)
783		{
784	<	if (local_args_info.r_rcorr_given)
552	<	{
553	<	fprintf (stderr, "%s: `--r_rcorr' option given more than once%s\n", argv[0], (additional_error ? additional_error : ""));
554	<	goto failure;
555	<	}
556	<	if (args_info->r_rcorr_given && ! override)
557	<	continue;
558	<	local_args_info.r_rcorr_given = 1;
559	<	args_info->r_rcorr_given = 1;
784	>
785		if (args_info->dynamicProps_group_counter && override)
786		reset_group_dynamicProps (args_info);
787		args_info->dynamicProps_group_counter += 1;
788	<	break;
788	>
789	>	if (update_arg( 0 ,
790	>	0 , &(args_info->r_rcorr_given),
791	>	&(local_args_info.r_rcorr_given), optarg, 0, 0, ARG_NO,
792	>	check_ambiguity, override, 0, 0,
793	>	"r_rcorr", '-',
794	>	additional_error))
795	>	goto failure;
796	>
797		}
798	+	/* Angular rmsd.  */
799	+	else if (strcmp (long_options[option_index].name, "thetacorr") == 0)
800	+	{
801
802	+	if (args_info->dynamicProps_group_counter && override)
803	+	reset_group_dynamicProps (args_info);
804	+	args_info->dynamicProps_group_counter += 1;
805	+
806	+	if (update_arg( 0 ,
807	+	0 , &(args_info->thetacorr_given),
808	+	&(local_args_info.thetacorr_given), optarg, 0, 0, ARG_NO,
809	+	check_ambiguity, override, 0, 0,
810	+	"thetacorr", '-',
811	+	additional_error))
812	+	goto failure;
813	+
814	+	}
815	+	/* Directional rmsd for particles with unit vectors.  */
816	+	else if (strcmp (long_options[option_index].name, "drcorr") == 0)
817	+	{
818	+
819	+	if (args_info->dynamicProps_group_counter && override)
820	+	reset_group_dynamicProps (args_info);
821	+	args_info->dynamicProps_group_counter += 1;
822	+
823	+	if (update_arg( 0 ,
824	+	0 , &(args_info->drcorr_given),
825	+	&(local_args_info.drcorr_given), optarg, 0, 0, ARG_NO,
826	+	check_ambiguity, override, 0, 0,
827	+	"drcorr", '-',
828	+	additional_error))
829	+	goto failure;
830	+
831	+	}
832	+	/* Helfand moment for thermal conductvity.  */
833	+	else if (strcmp (long_options[option_index].name, "helfandEcorr") == 0)
834	+	{
835	+
836	+	if (args_info->dynamicProps_group_counter && override)
837	+	reset_group_dynamicProps (args_info);
838	+	args_info->dynamicProps_group_counter += 1;
839	+
840	+	if (update_arg( 0 ,
841	+	0 , &(args_info->helfandEcorr_given),
842	+	&(local_args_info.helfandEcorr_given), optarg, 0, 0, ARG_NO,
843	+	check_ambiguity, override, 0, 0,
844	+	"helfandEcorr", '-',
845	+	additional_error))
846	+	goto failure;
847	+
848	+	}
849	+	/* Stress tensor correlation function.  */
850	+	else if (strcmp (long_options[option_index].name, "stresscorr") == 0)
851	+	{
852	+
853	+	if (args_info->dynamicProps_group_counter && override)
854	+	reset_group_dynamicProps (args_info);
855	+	args_info->dynamicProps_group_counter += 1;
856	+
857	+	if (update_arg( 0 ,
858	+	0 , &(args_info->stresscorr_given),
859	+	&(local_args_info.stresscorr_given), optarg, 0, 0, ARG_NO,
860	+	check_ambiguity, override, 0, 0,
861	+	"stresscorr", '-',
862	+	additional_error))
863	+	goto failure;
864	+
865	+	}
866	+
867		break;
868		case '?':       /* Invalid option.  */
869		/* `getopt_long' already printed an error message.  */
#	Line 576 | Line 877 | cmdline_parser_internal (int argc, char * const *argv,
877
878		if (args_info->dynamicProps_group_counter > 1)
879		{
880	<	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 : ""));
880	>	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 : ""));
881		error = 1;
882		}
883
#	Line 592 | Line 893 | cmdline_parser_internal (int argc, char * const *argv,
893		if ( error )
894		return (EXIT_FAILURE);
895
896	+	if (optind < argc)
897	+	{
898	+	int i = 0 ;
899	+	int found_prog_name = 0;
900	+	/* whether program name, i.e., argv[0], is in the remaining args
901	+	(this may happen with some implementations of getopt,
902	+	but surely not with the one included by gengetopt) */
903	+
904	+	i = optind;
905	+	while (i < argc)
906	+	if (argv[i++] == argv[0]) {
907	+	found_prog_name = 1;
908	+	break;
909	+	}
910	+	i = 0;
911	+
912	+	args_info->inputs_num = argc - optind - found_prog_name;
913	+	args_info->inputs =
914	+	(char **)(malloc ((args_info->inputs_num)*sizeof(char *))) ;
915	+	while (optind < argc)
916	+	if (argv[optind++] != argv[0])
917	+	args_info->inputs[ i++ ] = gengetopt_strdup (argv[optind-1]) ;
918	+	}
919	+
920		return 0;
921
922		failure:

Comparing trunk/src/applications/dynamicProps/DynamicPropsCmd.c (property svn:keywords):
Revision 1098 by chuckv, Thu Dec 14 19:38:56 2006 UTC vs.
Revision 1596 by gezelter, Mon Jul 25 17:30:53 2011 UTC

#	Line 0 | Line 1
1	+	Author Id Revision Date

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