[ViewVC] Diff of: OpenMD/trunk/src/applications/dynamicProps/DynamicPropsCmd.cpp

Comparing branches/development/src/applications/dynamicProps/DynamicPropsCmd.c (file contents):
Revision 1465 by chuckv, Fri Jul 9 23:08:25 2010 UTC vs.
Revision 1629 by gezelter, Wed Sep 14 21:15:17 2011 UTC

#	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 -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	+	" -s, --sdcorr System dipole correlation function",
49	+	" --r_rcorr Radial rmsd",
50	+	" --thetacorr Angular rmsd",
51	+	" --drcorr Directional rmsd for particles with unit \n vectors",
52	+	" --helfandEcorr Helfand moment for thermal conductvity",
53	+	" -p, --momentum Helfand momentum for viscosity",
54	+	" --stresscorr Stress tensor correlation function",
55	+	0
56	+	};
57	+
58	+	typedef enum {ARG_NO
59	+	, ARG_STRING
60	+	, ARG_INT
61	+	} cmdline_parser_arg_type;
62	+
63		static
64		void clear_given (struct gengetopt_args_info *args_info);
65		static
66		void clear_args (struct gengetopt_args_info *args_info);
67
68		static int
69	<	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);
69	>	cmdline_parser_internal (int argc, char *argv, struct gengetopt_args_info args_info,
70	>	struct cmdline_parser_params params, const char additional_error);
71
72		static int
73		cmdline_parser_required2 (struct gengetopt_args_info args_info, const char prog_name, const char *additional_error);
#	Line 45 \| Line 85 \| *void clear_given (struct gengetopt_args_info args_inf**
85		args_info->sele1_given = 0 ;
86		args_info->sele2_given = 0 ;
87		args_info->order_given = 0 ;
88	+	args_info->memory_given = 0 ;
89		args_info->rcorr_given = 0 ;
90		args_info->vcorr_given = 0 ;
91		args_info->dcorr_given = 0 ;
92		args_info->lcorr_given = 0 ;
93	+	args_info->sdcorr_given = 0 ;
94		args_info->r_rcorr_given = 0 ;
95		args_info->thetacorr_given = 0 ;
96		args_info->drcorr_given = 0 ;
97		args_info->helfandEcorr_given = 0 ;
98	+	args_info->momentum_given = 0 ;
99	+	args_info->stresscorr_given = 0 ;
100		args_info->dynamicProps_group_counter = 0 ;
101		}
102
103		static
104		void clear_args (struct gengetopt_args_info *args_info)
105		{
106	+	FIX_UNUSED (args_info);
107		args_info->input_arg = NULL;
108		args_info->input_orig = NULL;
109		args_info->output_arg = NULL;
#	Line 68 \| Line 113 \| *void clear_args (struct gengetopt_args_info args_info**
113		args_info->sele2_arg = NULL;
114		args_info->sele2_orig = NULL;
115		args_info->order_orig = NULL;
116	+	args_info->memory_arg = gengetopt_strdup ("2G");
117	+	args_info->memory_orig = NULL;
118
119		}
120
121	+	static
122	+	void init_args_info(struct gengetopt_args_info *args_info)
123	+	{
124	+
125	+
126	+	args_info->help_help = gengetopt_args_info_help[0] ;
127	+	args_info->version_help = gengetopt_args_info_help[1] ;
128	+	args_info->input_help = gengetopt_args_info_help[2] ;
129	+	args_info->output_help = gengetopt_args_info_help[3] ;
130	+	args_info->sele1_help = gengetopt_args_info_help[4] ;
131	+	args_info->sele2_help = gengetopt_args_info_help[5] ;
132	+	args_info->order_help = gengetopt_args_info_help[6] ;
133	+	args_info->memory_help = gengetopt_args_info_help[7] ;
134	+	args_info->rcorr_help = gengetopt_args_info_help[9] ;
135	+	args_info->vcorr_help = gengetopt_args_info_help[10] ;
136	+	args_info->dcorr_help = gengetopt_args_info_help[11] ;
137	+	args_info->lcorr_help = gengetopt_args_info_help[12] ;
138	+	args_info->sdcorr_help = gengetopt_args_info_help[13] ;
139	+	args_info->r_rcorr_help = gengetopt_args_info_help[14] ;
140	+	args_info->thetacorr_help = gengetopt_args_info_help[15] ;
141	+	args_info->drcorr_help = gengetopt_args_info_help[16] ;
142	+	args_info->helfandEcorr_help = gengetopt_args_info_help[17] ;
143	+	args_info->momentum_help = gengetopt_args_info_help[18] ;
144	+	args_info->stresscorr_help = gengetopt_args_info_help[19] ;
145	+
146	+	}
147	+
148		void
149		cmdline_parser_print_version (void)
150		{
151	<	printf ("%s %s\n", CMDLINE_PARSER_PACKAGE, CMDLINE_PARSER_VERSION);
151	>	printf ("%s %s\n",
152	>	(strlen(CMDLINE_PARSER_PACKAGE_NAME) ? CMDLINE_PARSER_PACKAGE_NAME : CMDLINE_PARSER_PACKAGE),
153	>	CMDLINE_PARSER_VERSION);
154		}
155
156	+	static void print_help_common(void) {
157	+	cmdline_parser_print_version ();
158	+
159	+	if (strlen(gengetopt_args_info_purpose) > 0)
160	+	printf("\n%s\n", gengetopt_args_info_purpose);
161	+
162	+	if (strlen(gengetopt_args_info_usage) > 0)
163	+	printf("\n%s\n", gengetopt_args_info_usage);
164	+
165	+	printf("\n");
166	+
167	+	if (strlen(gengetopt_args_info_description) > 0)
168	+	printf("%s\n\n", gengetopt_args_info_description);
169	+	}
170	+
171		void
172		cmdline_parser_print_help (void)
173		{
174	<	cmdline_parser_print_version ();
175	<	printf("\nUsage: DynamicProps [OPTIONS]...\n\n");
176	<	printf("%s\n"," -h, --help Print help and exit");
177	<	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	<
174	>	int i = 0;
175	>	print_help_common();
176	>	while (gengetopt_args_info_help[i])
177	>	printf("%s\n", gengetopt_args_info_help[i++]);
178		}
179
180		void
#	Line 106 \| Line 182 \| *cmdline_parser_init (struct gengetopt_args_info args_**
182		{
183		clear_given (args_info);
184		clear_args (args_info);
185	+	init_args_info (args_info);
186	+
187	+	args_info->inputs = 0;
188	+	args_info->inputs_num = 0;
189		}
190
191	+	void
192	+	cmdline_parser_params_init(struct cmdline_parser_params *params)
193	+	{
194	+	if (params)
195	+	{
196	+	params->override = 0;
197	+	params->initialize = 1;
198	+	params->check_required = 1;
199	+	params->check_ambiguity = 0;
200	+	params->print_errors = 1;
201	+	}
202	+	}
203	+
204	+	struct cmdline_parser_params *
205	+	cmdline_parser_params_create(void)
206	+	{
207	+	struct cmdline_parser_params *params =
208	+	(struct cmdline_parser_params *)malloc(sizeof(struct cmdline_parser_params));
209	+	cmdline_parser_params_init(params);
210	+	return params;
211	+	}
212	+
213		static void
214	<	cmdline_parser_release (struct gengetopt_args_info *args_info)
214	>	free_string_field (char **s)
215		{
216	<
115	<	if (args_info->input_arg)
216	>	if (*s)
217		{
218	<	free (args_info->input_arg); /* free previous argument */
219	<	args_info->input_arg = 0;
218	>	free (*s);
219	>	*s = 0;
220		}
221	<	if (args_info->input_orig)
222	<	{
223	<	free (args_info->input_orig); /* free previous argument */
224	<	args_info->input_orig = 0;
225	<	}
226	<	if (args_info->output_arg)
227	<	{
228	<	free (args_info->output_arg); /* free previous argument */
229	<	args_info->output_arg = 0;
230	<	}
231	<	if (args_info->output_orig)
232	<	{
233	<	free (args_info->output_orig); /* free previous argument */
234	<	args_info->output_orig = 0;
235	<	}
236	<	if (args_info->sele1_arg)
237	<	{
238	<	free (args_info->sele1_arg); /* free previous argument */
239	<	args_info->sele1_arg = 0;
240	<	}
241	<	if (args_info->sele1_orig)
242	<	{
243	<	free (args_info->sele1_orig); /* free previous argument */
244	<	args_info->sele1_orig = 0;
245	<	}
246	<	if (args_info->sele2_arg)
247	<	{
248	<	free (args_info->sele2_arg); /* free previous argument */
249	<	args_info->sele2_arg = 0;
250	<	}
251	<	if (args_info->sele2_orig)
252	<	{
253	<	free (args_info->sele2_orig); /* free previous argument */
254	<	args_info->sele2_orig = 0;
255	<	}
256	<	if (args_info->order_orig)
221	>	}
222	>
223	>
224	>	static void
225	>	cmdline_parser_release (struct gengetopt_args_info *args_info)
226	>	{
227	>	unsigned int i;
228	>	free_string_field (&(args_info->input_arg));
229	>	free_string_field (&(args_info->input_orig));
230	>	free_string_field (&(args_info->output_arg));
231	>	free_string_field (&(args_info->output_orig));
232	>	free_string_field (&(args_info->sele1_arg));
233	>	free_string_field (&(args_info->sele1_orig));
234	>	free_string_field (&(args_info->sele2_arg));
235	>	free_string_field (&(args_info->sele2_orig));
236	>	free_string_field (&(args_info->order_orig));
237	>	free_string_field (&(args_info->memory_arg));
238	>	free_string_field (&(args_info->memory_orig));
239	>
240	>
241	>	for (i = 0; i < args_info->inputs_num; ++i)
242	>	free (args_info->inputs [i]);
243	>
244	>	if (args_info->inputs_num)
245	>	free (args_info->inputs);
246	>
247	>	clear_given (args_info);
248	>	}
249	>
250	>
251	>	static void
252	>	write_into_file(FILE outfile, const char opt, const char arg, const char values[])
253	>	{
254	>	FIX_UNUSED (values);
255	>	if (arg) {
256	>	fprintf(outfile, "%s=\"%s\"\n", opt, arg);
257	>	} else {
258	>	fprintf(outfile, "%s\n", opt);
259	>	}
260	>	}
261	>
262	>
263	>	int
264	>	cmdline_parser_dump(FILE outfile, struct gengetopt_args_info args_info)
265	>	{
266	>	int i = 0;
267	>
268	>	if (!outfile)
269		{
270	<	free (args_info->order_orig); /* free previous argument */
271	<	args_info->order_orig = 0;
270	>	fprintf (stderr, "%s: cannot dump options to stream\n", CMDLINE_PARSER_PACKAGE);
271	>	return EXIT_FAILURE;
272		}
273	+
274	+	if (args_info->help_given)
275	+	write_into_file(outfile, "help", 0, 0 );
276	+	if (args_info->version_given)
277	+	write_into_file(outfile, "version", 0, 0 );
278	+	if (args_info->input_given)
279	+	write_into_file(outfile, "input", args_info->input_orig, 0);
280	+	if (args_info->output_given)
281	+	write_into_file(outfile, "output", args_info->output_orig, 0);
282	+	if (args_info->sele1_given)
283	+	write_into_file(outfile, "sele1", args_info->sele1_orig, 0);
284	+	if (args_info->sele2_given)
285	+	write_into_file(outfile, "sele2", args_info->sele2_orig, 0);
286	+	if (args_info->order_given)
287	+	write_into_file(outfile, "order", args_info->order_orig, 0);
288	+	if (args_info->memory_given)
289	+	write_into_file(outfile, "memory", args_info->memory_orig, 0);
290	+	if (args_info->rcorr_given)
291	+	write_into_file(outfile, "rcorr", 0, 0 );
292	+	if (args_info->vcorr_given)
293	+	write_into_file(outfile, "vcorr", 0, 0 );
294	+	if (args_info->dcorr_given)
295	+	write_into_file(outfile, "dcorr", 0, 0 );
296	+	if (args_info->lcorr_given)
297	+	write_into_file(outfile, "lcorr", 0, 0 );
298	+	if (args_info->sdcorr_given)
299	+	write_into_file(outfile, "sdcorr", 0, 0 );
300	+	if (args_info->r_rcorr_given)
301	+	write_into_file(outfile, "r_rcorr", 0, 0 );
302	+	if (args_info->thetacorr_given)
303	+	write_into_file(outfile, "thetacorr", 0, 0 );
304	+	if (args_info->drcorr_given)
305	+	write_into_file(outfile, "drcorr", 0, 0 );
306	+	if (args_info->helfandEcorr_given)
307	+	write_into_file(outfile, "helfandEcorr", 0, 0 );
308	+	if (args_info->momentum_given)
309	+	write_into_file(outfile, "momentum", 0, 0 );
310	+	if (args_info->stresscorr_given)
311	+	write_into_file(outfile, "stresscorr", 0, 0 );
312
313	<	clear_given (args_info);
313	>
314	>	i = EXIT_SUCCESS;
315	>	return i;
316		}
317
318		int
#	Line 175 \| Line 329 \| *cmdline_parser_file_save(const char filename, struct**
329		return EXIT_FAILURE;
330		}
331
332	<	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	<
332	>	i = cmdline_parser_dump(outfile, args_info);
333		fclose (outfile);
334
246	–	i = EXIT_SUCCESS;
335		return i;
336		}
337
#	Line 253 \| Line 341 \| *cmdline_parser_free (struct gengetopt_args_info args_**
341		cmdline_parser_release (args_info);
342		}
343
344	<
257	<	/* gengetopt_strdup() */
258	<	/* strdup.c replacement of strdup, which is not standard */
344	>	/** @brief replacement of strdup, which is not standard */
345		char *
346		gengetopt_strdup (const char *s)
347		{
348	<	char *result = NULL;
348	>	char *result = 0;
349		if (!s)
350		return result;
351
#	Line 271 \| Line 357 \| static void
357		}
358
359		static void
274	–	reset_group_dynamicProps(struct gengetopt_args_info *args_info);
275	–
276	–	static void
360		reset_group_dynamicProps(struct gengetopt_args_info *args_info)
361		{
362		if (! args_info->dynamicProps_group_counter)
#	Line 283 \| Line 366 \| *reset_group_dynamicProps(struct gengetopt_args_info a**
366		args_info->vcorr_given = 0 ;
367		args_info->dcorr_given = 0 ;
368		args_info->lcorr_given = 0 ;
369	+	args_info->sdcorr_given = 0 ;
370		args_info->r_rcorr_given = 0 ;
371		args_info->thetacorr_given = 0 ;
372		args_info->drcorr_given = 0 ;
373		args_info->helfandEcorr_given = 0 ;
374	+	args_info->momentum_given = 0 ;
375	+	args_info->stresscorr_given = 0 ;
376
377		args_info->dynamicProps_group_counter = 0;
378		}
379
380		int
381	<	cmdline_parser (int argc, char * const argv, struct gengetopt_args_info args_info)
381	>	cmdline_parser (int argc, char *argv, struct gengetopt_args_info args_info)
382		{
383		return cmdline_parser2 (argc, argv, args_info, 0, 1, 1);
384		}
385
386		int
387	<	cmdline_parser2 (int argc, char * const argv, struct gengetopt_args_info args_info, int override, int initialize, int check_required)
387	>	cmdline_parser_ext (int argc, char *argv, struct gengetopt_args_info args_info,
388	>	struct cmdline_parser_params *params)
389		{
390		int result;
391	+	result = cmdline_parser_internal (argc, argv, args_info, params, 0);
392
393	<	result = cmdline_parser_internal (argc, argv, args_info, override, initialize, check_required, NULL);
393	>	if (result == EXIT_FAILURE)
394	>	{
395	>	cmdline_parser_free (args_info);
396	>	exit (EXIT_FAILURE);
397	>	}
398	>
399	>	return result;
400	>	}
401
402	+	int
403	+	cmdline_parser2 (int argc, char *argv, struct gengetopt_args_info args_info, int override, int initialize, int check_required)
404	+	{
405	+	int result;
406	+	struct cmdline_parser_params params;
407	+
408	+	params.override = override;
409	+	params.initialize = initialize;
410	+	params.check_required = check_required;
411	+	params.check_ambiguity = 0;
412	+	params.print_errors = 1;
413	+
414	+	result = cmdline_parser_internal (argc, argv, args_info, &params, 0);
415	+
416		if (result == EXIT_FAILURE)
417		{
418		cmdline_parser_free (args_info);
#	Line 318 \| Line 427 \| *cmdline_parser_required (struct gengetopt_args_info a**
427		{
428		int result = EXIT_SUCCESS;
429
430	<	if (cmdline_parser_required2(args_info, prog_name, NULL) > 0)
430	>	if (cmdline_parser_required2(args_info, prog_name, 0) > 0)
431		result = EXIT_FAILURE;
432
433		if (result == EXIT_FAILURE)
#	Line 334 \| Line 443 \| cmdline_parser_required2 (struct gengetopt_args_info *
443		cmdline_parser_required2 (struct gengetopt_args_info args_info, const char prog_name, const char *additional_error)
444		{
445		int error = 0;
446	+	FIX_UNUSED (additional_error);
447
448	+	/* checks for required options */
449		if (! args_info->input_given)
450		{
451		fprintf (stderr, "%s: '--input' ('-i') option required%s\n", prog_name, (additional_error ? additional_error : ""));
452		error = 1;
453		}
454	+
455		if (args_info->dynamicProps_group_counter == 0)
456		{
457	<	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 : ""));
457	>	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 : ""));
458		error = 1;
459		}
460
461
462	+	/* checks for dependences among options */
463	+
464		return error;
465		}
466
467	+
468	+	static char *package_name = 0;
469	+
470	+	/**
471	+	* @brief updates an option
472	+	* @param field the generic pointer to the field to update
473	+	* @param orig_field the pointer to the orig field
474	+	* @param field_given the pointer to the number of occurrence of this option
475	+	* @param prev_given the pointer to the number of occurrence already seen
476	+	* @param value the argument for this option (if null no arg was specified)
477	+	* @param possible_values the possible values for this option (if specified)
478	+	* @param default_value the default value (in case the option only accepts fixed values)
479	+	* @param arg_type the type of this option
480	+	* @param check_ambiguity @see cmdline_parser_params.check_ambiguity
481	+	* @param override @see cmdline_parser_params.override
482	+	* @param no_free whether to free a possible previous value
483	+	* @param multiple_option whether this is a multiple option
484	+	* @param long_opt the corresponding long option
485	+	* @param short_opt the corresponding short option (or '-' if none)
486	+	* @param additional_error possible further error specification
487	+	*/
488	+	static
489	+	int update_arg(void field, char *orig_field,
490	+	unsigned int field_given, unsigned int prev_given,
491	+	char value, const char possible_values[],
492	+	const char *default_value,
493	+	cmdline_parser_arg_type arg_type,
494	+	int check_ambiguity, int override,
495	+	int no_free, int multiple_option,
496	+	const char *long_opt, char short_opt,
497	+	const char *additional_error)
498	+	{
499	+	char *stop_char = 0;
500	+	const char *val = value;
501	+	int found;
502	+	char **string_field;
503	+	FIX_UNUSED (field);
504	+
505	+	stop_char = 0;
506	+	found = 0;
507	+
508	+	if (!multiple_option && prev_given && (prev_given \|\| (check_ambiguity && field_given)))
509	+	{
510	+	if (short_opt != '-')
511	+	fprintf (stderr, "%s: `--%s' (`-%c') option given more than once%s\n",
512	+	package_name, long_opt, short_opt,
513	+	(additional_error ? additional_error : ""));
514	+	else
515	+	fprintf (stderr, "%s: `--%s' option given more than once%s\n",
516	+	package_name, long_opt,
517	+	(additional_error ? additional_error : ""));
518	+	return 1; /* failure */
519	+	}
520	+
521	+	FIX_UNUSED (default_value);
522	+
523	+	if (field_given && *field_given && ! override)
524	+	return 0;
525	+	if (prev_given)
526	+	(*prev_given)++;
527	+	if (field_given)
528	+	(*field_given)++;
529	+	if (possible_values)
530	+	val = possible_values[found];
531	+
532	+	switch(arg_type) {
533	+	case ARG_INT:
534	+	if (val) ((int )field) = strtol (val, &stop_char, 0);
535	+	break;
536	+	case ARG_STRING:
537	+	if (val) {
538	+	string_field = (char **)field;
539	+	if (!no_free && *string_field)
540	+	free (string_field); / free previous string */
541	+	*string_field = gengetopt_strdup (val);
542	+	}
543	+	break;
544	+	default:
545	+	break;
546	+	};
547	+
548	+	/* check numeric conversion */
549	+	switch(arg_type) {
550	+	case ARG_INT:
551	+	if (val && !(stop_char && *stop_char == '\0')) {
552	+	fprintf(stderr, "%s: invalid numeric value: %s\n", package_name, val);
553	+	return 1; /* failure */
554	+	}
555	+	break;
556	+	default:
557	+	;
558	+	};
559	+
560	+	/* store the original value */
561	+	switch(arg_type) {
562	+	case ARG_NO:
563	+	break;
564	+	default:
565	+	if (value && orig_field) {
566	+	if (no_free) {
567	+	*orig_field = value;
568	+	} else {
569	+	if (*orig_field)
570	+	free (orig_field); / free previous string */
571	+	*orig_field = gengetopt_strdup (value);
572	+	}
573	+	}
574	+	};
575	+
576	+	return 0; /* OK */
577	+	}
578	+
579	+
580		int
581	<	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)
581	>	cmdline_parser_internal (
582	>	int argc, char *argv, struct gengetopt_args_info args_info,
583	>	struct cmdline_parser_params params, const char additional_error)
584		{
585		int c; /* Character of the parsed option. */
586
587		int error = 0;
588		struct gengetopt_args_info local_args_info;
589	+
590	+	int override;
591	+	int initialize;
592	+	int check_required;
593	+	int check_ambiguity;
594	+
595	+	package_name = argv[0];
596	+
597	+	override = params->override;
598	+	initialize = params->initialize;
599	+	check_required = params->check_required;
600	+	check_ambiguity = params->check_ambiguity;
601
602		if (initialize)
603		cmdline_parser_init (args_info);
#	Line 364 \| Line 605 \| *cmdline_parser_internal (int argc, char const argv,*
605		cmdline_parser_init (&local_args_info);
606
607		optarg = 0;
608	<	optind = 1;
609	<	opterr = 1;
608	>	optind = 0;
609	>	opterr = params->print_errors;
610		optopt = '?';
611
612		while (1)
613		{
614		int option_index = 0;
374	–	char *stop_char;
615
616		static struct option long_options[] = {
617		{ "help", 0, NULL, 'h' },
#	Line 381 \| Line 621 \| *cmdline_parser_internal (int argc, char const argv,*
621		{ "sele1", 1, NULL, 0 },
622		{ "sele2", 1, NULL, 0 },
623		{ "order", 1, NULL, 0 },
624	+	{ "memory", 1, NULL, 'm' },
625		{ "rcorr", 0, NULL, 'r' },
626		{ "vcorr", 0, NULL, 'v' },
627		{ "dcorr", 0, NULL, 'd' },
628		{ "lcorr", 0, NULL, 'l' },
629	+	{ "sdcorr", 0, NULL, 's' },
630		{ "r_rcorr", 0, NULL, 0 },
631		{ "thetacorr", 0, NULL, 0 },
632		{ "drcorr", 0, NULL, 0 },
633		{ "helfandEcorr", 0, NULL, 0 },
634	<	{ NULL, 0, NULL, 0 }
634	>	{ "momentum", 0, NULL, 'p' },
635	>	{ "stresscorr", 0, NULL, 0 },
636	>	{ 0, 0, 0, 0 }
637		};
638
639	<	stop_char = 0;
396	<	c = getopt_long (argc, argv, "hVi:o:rvdl", long_options, &option_index);
639	>	c = getopt_long (argc, argv, "hVi:o:m:rvdlsp", long_options, &option_index);
640
641		if (c == -1) break; /* Exit from `while (1)' loop. */
642
#	Line 410 \| Line 653 \| *cmdline_parser_internal (int argc, char const argv,*
653		exit (EXIT_SUCCESS);
654
655		case 'i': /* input dump file. */
656	<	if (local_args_info.input_given)
657	<	{
658	<	fprintf (stderr, "%s: `--input' (`-i') option given more than once%s\n", argv[0], (additional_error ? additional_error : ""));
659	<	goto failure;
660	<	}
661	<	if (args_info->input_given && ! override)
662	<	continue;
663	<	local_args_info.input_given = 1;
664	<	args_info->input_given = 1;
665	<	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);
656	>
657	>
658	>	if (update_arg( (void *)&(args_info->input_arg),
659	>	&(args_info->input_orig), &(args_info->input_given),
660	>	&(local_args_info.input_given), optarg, 0, 0, ARG_STRING,
661	>	check_ambiguity, override, 0, 0,
662	>	"input", 'i',
663	>	additional_error))
664	>	goto failure;
665	>
666		break;
429	–
667		case 'o': /* output file name. */
668	<	if (local_args_info.output_given)
669	<	{
670	<	fprintf (stderr, "%s: `--output' (`-o') option given more than once%s\n", argv[0], (additional_error ? additional_error : ""));
671	<	goto failure;
672	<	}
673	<	if (args_info->output_given && ! override)
674	<	continue;
675	<	local_args_info.output_given = 1;
676	<	args_info->output_given = 1;
677	<	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);
668	>
669	>
670	>	if (update_arg( (void *)&(args_info->output_arg),
671	>	&(args_info->output_orig), &(args_info->output_given),
672	>	&(local_args_info.output_given), optarg, 0, 0, ARG_STRING,
673	>	check_ambiguity, override, 0, 0,
674	>	"output", 'o',
675	>	additional_error))
676	>	goto failure;
677	>
678		break;
679	<
679	>	case 'm': /* Available memory (defaults to 2G). */
680	>
681	>
682	>	if (update_arg( (void *)&(args_info->memory_arg),
683	>	&(args_info->memory_orig), &(args_info->memory_given),
684	>	&(local_args_info.memory_given), optarg, 0, "2G", ARG_STRING,
685	>	check_ambiguity, override, 0, 0,
686	>	"memory", 'm',
687	>	additional_error))
688	>	goto failure;
689	>
690	>	break;
691		case 'r': /* rmsd. */
692	<	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;
692	>
693		if (args_info->dynamicProps_group_counter && override)
694		reset_group_dynamicProps (args_info);
695		args_info->dynamicProps_group_counter += 1;
696	+
697	+	if (update_arg( 0 ,
698	+	0 , &(args_info->rcorr_given),
699	+	&(local_args_info.rcorr_given), optarg, 0, 0, ARG_NO,
700	+	check_ambiguity, override, 0, 0,
701	+	"rcorr", 'r',
702	+	additional_error))
703	+	goto failure;
704	+
705		break;
462	–
706		case 'v': /* velocity correlation function. */
707	<	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;
707	>
708		if (args_info->dynamicProps_group_counter && override)
709		reset_group_dynamicProps (args_info);
710		args_info->dynamicProps_group_counter += 1;
711	+
712	+	if (update_arg( 0 ,
713	+	0 , &(args_info->vcorr_given),
714	+	&(local_args_info.vcorr_given), optarg, 0, 0, ARG_NO,
715	+	check_ambiguity, override, 0, 0,
716	+	"vcorr", 'v',
717	+	additional_error))
718	+	goto failure;
719	+
720		break;
477	–
721		case 'd': /* dipole correlation function. */
722	<	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;
722	>
723		if (args_info->dynamicProps_group_counter && override)
724		reset_group_dynamicProps (args_info);
725		args_info->dynamicProps_group_counter += 1;
726	+
727	+	if (update_arg( 0 ,
728	+	0 , &(args_info->dcorr_given),
729	+	&(local_args_info.dcorr_given), optarg, 0, 0, ARG_NO,
730	+	check_ambiguity, override, 0, 0,
731	+	"dcorr", 'd',
732	+	additional_error))
733	+	goto failure;
734	+
735		break;
492	–
736		case 'l': /* Lengendre correlation function. */
737	<	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;
737	>
738		if (args_info->dynamicProps_group_counter && override)
739		reset_group_dynamicProps (args_info);
740		args_info->dynamicProps_group_counter += 1;
741	+
742	+	if (update_arg( 0 ,
743	+	0 , &(args_info->lcorr_given),
744	+	&(local_args_info.lcorr_given), optarg, 0, 0, ARG_NO,
745	+	check_ambiguity, override, 0, 0,
746	+	"lcorr", 'l',
747	+	additional_error))
748	+	goto failure;
749	+
750		break;
751	<
751	>	case 's': /* System dipole correlation function. */
752	>
753	>	if (args_info->dynamicProps_group_counter && override)
754	>	reset_group_dynamicProps (args_info);
755	>	args_info->dynamicProps_group_counter += 1;
756	>
757	>	if (update_arg( 0 ,
758	>	0 , &(args_info->sdcorr_given),
759	>	&(local_args_info.sdcorr_given), optarg, 0, 0, ARG_NO,
760	>	check_ambiguity, override, 0, 0,
761	>	"sdcorr", 's',
762	>	additional_error))
763	>	goto failure;
764	>
765	>	break;
766	>	case 'p': /* Helfand momentum for viscosity. */
767	>
768	>	if (args_info->dynamicProps_group_counter && override)
769	>	reset_group_dynamicProps (args_info);
770	>	args_info->dynamicProps_group_counter += 1;
771	>
772	>	if (update_arg( 0 ,
773	>	0 , &(args_info->momentum_given),
774	>	&(local_args_info.momentum_given), optarg, 0, 0, ARG_NO,
775	>	check_ambiguity, override, 0, 0,
776	>	"momentum", 'p',
777	>	additional_error))
778	>	goto failure;
779	>
780	>	break;
781
782		case 0: /* Long option with no short option */
783		/* select first stuntdouble set. */
784		if (strcmp (long_options[option_index].name, "sele1") == 0)
785		{
786	<	if (local_args_info.sele1_given)
787	<	{
788	<	fprintf (stderr, "%s: `--sele1' option given more than once%s\n", argv[0], (additional_error ? additional_error : ""));
789	<	goto failure;
790	<	}
791	<	if (args_info->sele1_given && ! override)
792	<	continue;
793	<	local_args_info.sele1_given = 1;
794	<	args_info->sele1_given = 1;
795	<	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);
786	>
787	>
788	>	if (update_arg( (void *)&(args_info->sele1_arg),
789	>	&(args_info->sele1_orig), &(args_info->sele1_given),
790	>	&(local_args_info.sele1_given), optarg, 0, 0, ARG_STRING,
791	>	check_ambiguity, override, 0, 0,
792	>	"sele1", '-',
793	>	additional_error))
794	>	goto failure;
795	>
796		}
797		/* select second stuntdouble set (if sele2 is not set, use script from sele1). */
798		else if (strcmp (long_options[option_index].name, "sele2") == 0)
799		{
800	<	if (local_args_info.sele2_given)
801	<	{
802	<	fprintf (stderr, "%s: `--sele2' option given more than once%s\n", argv[0], (additional_error ? additional_error : ""));
803	<	goto failure;
804	<	}
805	<	if (args_info->sele2_given && ! override)
806	<	continue;
807	<	local_args_info.sele2_given = 1;
808	<	args_info->sele2_given = 1;
809	<	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);
800	>
801	>
802	>	if (update_arg( (void *)&(args_info->sele2_arg),
803	>	&(args_info->sele2_orig), &(args_info->sele2_given),
804	>	&(local_args_info.sele2_given), optarg, 0, 0, ARG_STRING,
805	>	check_ambiguity, override, 0, 0,
806	>	"sele2", '-',
807	>	additional_error))
808	>	goto failure;
809	>
810		}
811		/* Lengendre Polynomial Order. */
812		else if (strcmp (long_options[option_index].name, "order") == 0)
813		{
814	<	if (local_args_info.order_given)
815	<	{
816	<	fprintf (stderr, "%s: `--order' option given more than once%s\n", argv[0], (additional_error ? additional_error : ""));
817	<	goto failure;
818	<	}
819	<	if (args_info->order_given && ! override)
820	<	continue;
821	<	local_args_info.order_given = 1;
822	<	args_info->order_given = 1;
823	<	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);
814	>
815	>
816	>	if (update_arg( (void *)&(args_info->order_arg),
817	>	&(args_info->order_orig), &(args_info->order_given),
818	>	&(local_args_info.order_given), optarg, 0, 0, ARG_INT,
819	>	check_ambiguity, override, 0, 0,
820	>	"order", '-',
821	>	additional_error))
822	>	goto failure;
823	>
824		}
825		/* Radial rmsd. */
826		else if (strcmp (long_options[option_index].name, "r_rcorr") == 0)
827		{
828	<	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;
828	>
829		if (args_info->dynamicProps_group_counter && override)
830		reset_group_dynamicProps (args_info);
831		args_info->dynamicProps_group_counter += 1;
832	<	break;
832	>
833	>	if (update_arg( 0 ,
834	>	0 , &(args_info->r_rcorr_given),
835	>	&(local_args_info.r_rcorr_given), optarg, 0, 0, ARG_NO,
836	>	check_ambiguity, override, 0, 0,
837	>	"r_rcorr", '-',
838	>	additional_error))
839	>	goto failure;
840	>
841		}
842		/* Angular rmsd. */
843		else if (strcmp (long_options[option_index].name, "thetacorr") == 0)
844		{
845	<	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;
845	>
846		if (args_info->dynamicProps_group_counter && override)
847		reset_group_dynamicProps (args_info);
848		args_info->dynamicProps_group_counter += 1;
849	<	break;
849	>
850	>	if (update_arg( 0 ,
851	>	0 , &(args_info->thetacorr_given),
852	>	&(local_args_info.thetacorr_given), optarg, 0, 0, ARG_NO,
853	>	check_ambiguity, override, 0, 0,
854	>	"thetacorr", '-',
855	>	additional_error))
856	>	goto failure;
857	>
858		}
859		/* Directional rmsd for particles with unit vectors. */
860		else if (strcmp (long_options[option_index].name, "drcorr") == 0)
861		{
862	<	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;
862	>
863		if (args_info->dynamicProps_group_counter && override)
864		reset_group_dynamicProps (args_info);
865		args_info->dynamicProps_group_counter += 1;
866	<	break;
866	>
867	>	if (update_arg( 0 ,
868	>	0 , &(args_info->drcorr_given),
869	>	&(local_args_info.drcorr_given), optarg, 0, 0, ARG_NO,
870	>	check_ambiguity, override, 0, 0,
871	>	"drcorr", '-',
872	>	additional_error))
873	>	goto failure;
874	>
875		}
876		/* Helfand moment for thermal conductvity. */
877		else if (strcmp (long_options[option_index].name, "helfandEcorr") == 0)
878		{
879	<	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;
879	>
880		if (args_info->dynamicProps_group_counter && override)
881		reset_group_dynamicProps (args_info);
882		args_info->dynamicProps_group_counter += 1;
883	<	break;
883	>
884	>	if (update_arg( 0 ,
885	>	0 , &(args_info->helfandEcorr_given),
886	>	&(local_args_info.helfandEcorr_given), optarg, 0, 0, ARG_NO,
887	>	check_ambiguity, override, 0, 0,
888	>	"helfandEcorr", '-',
889	>	additional_error))
890	>	goto failure;
891	>
892		}
893	+	/* Stress tensor correlation function. */
894	+	else if (strcmp (long_options[option_index].name, "stresscorr") == 0)
895	+	{
896
897	+	if (args_info->dynamicProps_group_counter && override)
898	+	reset_group_dynamicProps (args_info);
899	+	args_info->dynamicProps_group_counter += 1;
900	+
901	+	if (update_arg( 0 ,
902	+	0 , &(args_info->stresscorr_given),
903	+	&(local_args_info.stresscorr_given), optarg, 0, 0, ARG_NO,
904	+	check_ambiguity, override, 0, 0,
905	+	"stresscorr", '-',
906	+	additional_error))
907	+	goto failure;
908	+
909	+	}
910	+
911		break;
912		case '?': /* Invalid option. */
913		/* `getopt_long' already printed an error message. */
#	Line 644 \| Line 921 \| *cmdline_parser_internal (int argc, char const argv,*
921
922		if (args_info->dynamicProps_group_counter > 1)
923		{
924	<	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 : ""));
924	>	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 : ""));
925		error = 1;
926		}
927
#	Line 660 \| Line 937 \| *cmdline_parser_internal (int argc, char const argv,*
937		if ( error )
938		return (EXIT_FAILURE);
939
940	+	if (optind < argc)
941	+	{
942	+	int i = 0 ;
943	+	int found_prog_name = 0;
944	+	/* whether program name, i.e., argv[0], is in the remaining args
945	+	(this may happen with some implementations of getopt,
946	+	but surely not with the one included by gengetopt) */
947	+
948	+	i = optind;
949	+	while (i < argc)
950	+	if (argv[i++] == argv[0]) {
951	+	found_prog_name = 1;
952	+	break;
953	+	}
954	+	i = 0;
955	+
956	+	args_info->inputs_num = argc - optind - found_prog_name;
957	+	args_info->inputs =
958	+	(char *)(malloc ((args_info->inputs_num)sizeof(char *))) ;
959	+	while (optind < argc)
960	+	if (argv[optind++] != argv[0])
961	+	args_info->inputs[ i++ ] = gengetopt_strdup (argv[optind-1]) ;
962	+	}
963	+
964		return 0;
965
966		failure:

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Comparing branches/development/src/applications/dynamicProps/DynamicPropsCmd.c (file contents): Revision 1465 by chuckv, Fri Jul 9 23:08:25 2010 UTC vs. Revision 1629 by gezelter, Wed Sep 14 21:15:17 2011 UTC

Diff Legend

Comparing branches/development/src/applications/dynamicProps/DynamicPropsCmd.c (file contents):
Revision 1465 by chuckv, Fri Jul 9 23:08:25 2010 UTC vs.
Revision 1629 by gezelter, Wed Sep 14 21:15:17 2011 UTC