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

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trunk/src/applications/dynamicProps/DynamicPropsCmd.c (file contents), Revision 1112 by chuckv, Wed Jan 3 20:47:00 2007 UTC vs.
trunk/src/applications/dynamicProps/DynamicPropsCmd.cpp (file contents), Revision 2003 by gezelter, Sun Jun 1 19:28:44 2014 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 -u -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	+	"  -b, --bondcorr                Bond extension correlation function",
64	+	"  -f, --freqfluccorr            Frequency Fluctuation correlation function",
65	+	0
66	+	};
67	+
68	+	typedef enum {ARG_NO
69	+	, ARG_STRING
70	+	, ARG_INT
71	+	} cmdline_parser_arg_type;
72	+
73		static
74		void clear_given (struct gengetopt_args_info *args_info);
75		static
76		void clear_args (struct gengetopt_args_info *args_info);
77
78		static int
79	<	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);
79	>	cmdline_parser_internal (int argc, char **argv, struct gengetopt_args_info *args_info,
80	>	struct cmdline_parser_params *params, const char *additional_error);
81
82		static int
83		cmdline_parser_required2 (struct gengetopt_args_info *args_info, const char *prog_name, const char *additional_error);
#	Line 45 | Line 95 | void clear_given (struct gengetopt_args_info *args_inf
95		args_info->sele1_given = 0 ;
96		args_info->sele2_given = 0 ;
97		args_info->order_given = 0 ;
98	+	args_info->nzbins_given = 0 ;
99	+	args_info->memory_given = 0 ;
100	+	args_info->selecorr_given = 0 ;
101		args_info->rcorr_given = 0 ;
102		args_info->vcorr_given = 0 ;
103		args_info->dcorr_given = 0 ;
104		args_info->lcorr_given = 0 ;
105	+	args_info->lcorrZ_given = 0 ;
106	+	args_info->cohZ_given = 0 ;
107	+	args_info->sdcorr_given = 0 ;
108		args_info->r_rcorr_given = 0 ;
109		args_info->thetacorr_given = 0 ;
110	+	args_info->drcorr_given = 0 ;
111	+	args_info->helfandEcorr_given = 0 ;
112	+	args_info->momentum_given = 0 ;
113	+	args_info->stresscorr_given = 0 ;
114	+	args_info->bondcorr_given = 0 ;
115	+	args_info->freqfluccorr_given = 0 ;
116		args_info->dynamicProps_group_counter = 0 ;
117		}
118
119		static
120		void clear_args (struct gengetopt_args_info *args_info)
121		{
122	+	FIX_UNUSED (args_info);
123		args_info->input_arg = NULL;
124		args_info->input_orig = NULL;
125		args_info->output_arg = NULL;
#	Line 66 | Line 129 | void clear_args (struct gengetopt_args_info *args_info
129		args_info->sele2_arg = NULL;
130		args_info->sele2_orig = NULL;
131		args_info->order_orig = NULL;
132	+	args_info->nzbins_arg = 100;
133	+	args_info->nzbins_orig = NULL;
134	+	args_info->memory_arg = gengetopt_strdup ("2G");
135	+	args_info->memory_orig = NULL;
136
137		}
138
139	+	static
140	+	void init_args_info(struct gengetopt_args_info *args_info)
141	+	{
142	+
143	+
144	+	args_info->help_help = gengetopt_args_info_help[0] ;
145	+	args_info->version_help = gengetopt_args_info_help[1] ;
146	+	args_info->input_help = gengetopt_args_info_help[2] ;
147	+	args_info->output_help = gengetopt_args_info_help[3] ;
148	+	args_info->sele1_help = gengetopt_args_info_help[4] ;
149	+	args_info->sele2_help = gengetopt_args_info_help[5] ;
150	+	args_info->order_help = gengetopt_args_info_help[6] ;
151	+	args_info->nzbins_help = gengetopt_args_info_help[7] ;
152	+	args_info->memory_help = gengetopt_args_info_help[8] ;
153	+	args_info->selecorr_help = gengetopt_args_info_help[10] ;
154	+	args_info->rcorr_help = gengetopt_args_info_help[11] ;
155	+	args_info->vcorr_help = gengetopt_args_info_help[12] ;
156	+	args_info->dcorr_help = gengetopt_args_info_help[13] ;
157	+	args_info->lcorr_help = gengetopt_args_info_help[14] ;
158	+	args_info->lcorrZ_help = gengetopt_args_info_help[15] ;
159	+	args_info->cohZ_help = gengetopt_args_info_help[16] ;
160	+	args_info->sdcorr_help = gengetopt_args_info_help[17] ;
161	+	args_info->r_rcorr_help = gengetopt_args_info_help[18] ;
162	+	args_info->thetacorr_help = gengetopt_args_info_help[19] ;
163	+	args_info->drcorr_help = gengetopt_args_info_help[20] ;
164	+	args_info->helfandEcorr_help = gengetopt_args_info_help[21] ;
165	+	args_info->momentum_help = gengetopt_args_info_help[22] ;
166	+	args_info->stresscorr_help = gengetopt_args_info_help[23] ;
167	+	args_info->bondcorr_help = gengetopt_args_info_help[24] ;
168	+	args_info->freqfluccorr_help = gengetopt_args_info_help[25] ;
169	+
170	+	}
171	+
172		void
173		cmdline_parser_print_version (void)
174		{
175	<	printf ("%s %s\n", CMDLINE_PARSER_PACKAGE, CMDLINE_PARSER_VERSION);
175	>	printf ("%s %s\n",
176	>	(strlen(CMDLINE_PARSER_PACKAGE_NAME) ? CMDLINE_PARSER_PACKAGE_NAME : CMDLINE_PARSER_PACKAGE),
177	>	CMDLINE_PARSER_VERSION);
178		}
179
180	+	static void print_help_common(void) {
181	+	cmdline_parser_print_version ();
182	+
183	+	if (strlen(gengetopt_args_info_purpose) > 0)
184	+	printf("\n%s\n", gengetopt_args_info_purpose);
185	+
186	+	if (strlen(gengetopt_args_info_usage) > 0)
187	+	printf("\n%s\n", gengetopt_args_info_usage);
188	+
189	+	printf("\n");
190	+
191	+	if (strlen(gengetopt_args_info_description) > 0)
192	+	printf("%s\n\n", gengetopt_args_info_description);
193	+	}
194	+
195		void
196		cmdline_parser_print_help (void)
197		{
198	<	cmdline_parser_print_version ();
199	<	printf("\nUsage: DynamicProps [OPTIONS]... [FILES]...\n\n");
200	<	printf("%s\n","  -h, --help                    Print help and exit");
201	<	printf("%s\n","  -V, --version                 Print version and exit");
85	<	printf("%s\n","  -i, --input=filename          input dump file");
86	<	printf("%s\n","  -o, --output=filename         output file name");
87	<	printf("%s\n","      --sele1=selection script  select first stuntdouble set");
88	<	printf("%s\n","      --sele2=selection script  select second stuntdouble set (if sele2 is not \n                                  set, use script from sele1)");
89	<	printf("%s\n","      --order=INT               Lengendre Polynomial Order");
90	<	printf("%s\n","\n Group: dynamicProps\n   an option of this group is required");
91	<	printf("%s\n","  -r, --rcorr                   rmsd");
92	<	printf("%s\n","  -v, --vcorr                   velocity correlation function");
93	<	printf("%s\n","  -d, --dcorr                   dipole correlation function");
94	<	printf("%s\n","  -l, --lcorr                   Lengendre correlation function");
95	<	printf("%s\n","      --r_rcorr                 Radial rmsd");
96	<	printf("%s\n","      --thetacorr               Angular rmsd");
97	<
198	>	int i = 0;
199	>	print_help_common();
200	>	while (gengetopt_args_info_help[i])
201	>	printf("%s\n", gengetopt_args_info_help[i++]);
202		}
203
204		void
#	Line 102 | Line 206 | cmdline_parser_init (struct gengetopt_args_info *args_
206		{
207		clear_given (args_info);
208		clear_args (args_info);
209	+	init_args_info (args_info);
210
211	<	args_info->inputs = NULL;
211	>	args_info->inputs = 0;
212		args_info->inputs_num = 0;
213		}
214
215	+	void
216	+	cmdline_parser_params_init(struct cmdline_parser_params *params)
217	+	{
218	+	if (params)
219	+	{
220	+	params->override = 0;
221	+	params->initialize = 1;
222	+	params->check_required = 1;
223	+	params->check_ambiguity = 0;
224	+	params->print_errors = 1;
225	+	}
226	+	}
227	+
228	+	struct cmdline_parser_params *
229	+	cmdline_parser_params_create(void)
230	+	{
231	+	struct cmdline_parser_params *params =
232	+	(struct cmdline_parser_params *)malloc(sizeof(struct cmdline_parser_params));
233	+	cmdline_parser_params_init(params);
234	+	return params;
235	+	}
236	+
237		static void
238	<	cmdline_parser_release (struct gengetopt_args_info *args_info)
238	>	free_string_field (char **s)
239		{
240	<
114	<	unsigned int i;
115	<	if (args_info->input_arg)
240	>	if (*s)
241		{
242	<	free (args_info->input_arg); /* free previous argument */
243	<	args_info->input_arg = 0;
242	>	free (*s);
243	>	*s = 0;
244		}
245	<	if (args_info->input_orig)
246	<	{
247	<	free (args_info->input_orig); /* free previous argument */
248	<	args_info->input_orig = 0;
249	<	}
250	<	if (args_info->output_arg)
251	<	{
252	<	free (args_info->output_arg); /* free previous argument */
253	<	args_info->output_arg = 0;
254	<	}
255	<	if (args_info->output_orig)
256	<	{
257	<	free (args_info->output_orig); /* free previous argument */
258	<	args_info->output_orig = 0;
259	<	}
260	<	if (args_info->sele1_arg)
261	<	{
262	<	free (args_info->sele1_arg); /* free previous argument */
263	<	args_info->sele1_arg = 0;
139	<	}
140	<	if (args_info->sele1_orig)
141	<	{
142	<	free (args_info->sele1_orig); /* free previous argument */
143	<	args_info->sele1_orig = 0;
144	<	}
145	<	if (args_info->sele2_arg)
146	<	{
147	<	free (args_info->sele2_arg); /* free previous argument */
148	<	args_info->sele2_arg = 0;
149	<	}
150	<	if (args_info->sele2_orig)
151	<	{
152	<	free (args_info->sele2_orig); /* free previous argument */
153	<	args_info->sele2_orig = 0;
154	<	}
155	<	if (args_info->order_orig)
156	<	{
157	<	free (args_info->order_orig); /* free previous argument */
158	<	args_info->order_orig = 0;
159	<	}
245	>	}
246	>
247	>
248	>	static void
249	>	cmdline_parser_release (struct gengetopt_args_info *args_info)
250	>	{
251	>	unsigned int i;
252	>	free_string_field (&(args_info->input_arg));
253	>	free_string_field (&(args_info->input_orig));
254	>	free_string_field (&(args_info->output_arg));
255	>	free_string_field (&(args_info->output_orig));
256	>	free_string_field (&(args_info->sele1_arg));
257	>	free_string_field (&(args_info->sele1_orig));
258	>	free_string_field (&(args_info->sele2_arg));
259	>	free_string_field (&(args_info->sele2_orig));
260	>	free_string_field (&(args_info->order_orig));
261	>	free_string_field (&(args_info->nzbins_orig));
262	>	free_string_field (&(args_info->memory_arg));
263	>	free_string_field (&(args_info->memory_orig));
264
265	+
266		for (i = 0; i < args_info->inputs_num; ++i)
267		free (args_info->inputs [i]);
268	<
268	>
269		if (args_info->inputs_num)
270		free (args_info->inputs);
271	<
271	>
272		clear_given (args_info);
273		}
274
275	+
276	+	static void
277	+	write_into_file(FILE *outfile, const char *opt, const char *arg, const char *values[])
278	+	{
279	+	FIX_UNUSED (values);
280	+	if (arg) {
281	+	fprintf(outfile, "%s=\"%s\"\n", opt, arg);
282	+	} else {
283	+	fprintf(outfile, "%s\n", opt);
284	+	}
285	+	}
286	+
287	+
288		int
289	+	cmdline_parser_dump(FILE *outfile, struct gengetopt_args_info *args_info)
290	+	{
291	+	int i = 0;
292	+
293	+	if (!outfile)
294	+	{
295	+	fprintf (stderr, "%s: cannot dump options to stream\n", CMDLINE_PARSER_PACKAGE);
296	+	return EXIT_FAILURE;
297	+	}
298	+
299	+	if (args_info->help_given)
300	+	write_into_file(outfile, "help", 0, 0 );
301	+	if (args_info->version_given)
302	+	write_into_file(outfile, "version", 0, 0 );
303	+	if (args_info->input_given)
304	+	write_into_file(outfile, "input", args_info->input_orig, 0);
305	+	if (args_info->output_given)
306	+	write_into_file(outfile, "output", args_info->output_orig, 0);
307	+	if (args_info->sele1_given)
308	+	write_into_file(outfile, "sele1", args_info->sele1_orig, 0);
309	+	if (args_info->sele2_given)
310	+	write_into_file(outfile, "sele2", args_info->sele2_orig, 0);
311	+	if (args_info->order_given)
312	+	write_into_file(outfile, "order", args_info->order_orig, 0);
313	+	if (args_info->nzbins_given)
314	+	write_into_file(outfile, "nzbins", args_info->nzbins_orig, 0);
315	+	if (args_info->memory_given)
316	+	write_into_file(outfile, "memory", args_info->memory_orig, 0);
317	+	if (args_info->selecorr_given)
318	+	write_into_file(outfile, "selecorr", 0, 0 );
319	+	if (args_info->rcorr_given)
320	+	write_into_file(outfile, "rcorr", 0, 0 );
321	+	if (args_info->vcorr_given)
322	+	write_into_file(outfile, "vcorr", 0, 0 );
323	+	if (args_info->dcorr_given)
324	+	write_into_file(outfile, "dcorr", 0, 0 );
325	+	if (args_info->lcorr_given)
326	+	write_into_file(outfile, "lcorr", 0, 0 );
327	+	if (args_info->lcorrZ_given)
328	+	write_into_file(outfile, "lcorrZ", 0, 0 );
329	+	if (args_info->cohZ_given)
330	+	write_into_file(outfile, "cohZ", 0, 0 );
331	+	if (args_info->sdcorr_given)
332	+	write_into_file(outfile, "sdcorr", 0, 0 );
333	+	if (args_info->r_rcorr_given)
334	+	write_into_file(outfile, "r_rcorr", 0, 0 );
335	+	if (args_info->thetacorr_given)
336	+	write_into_file(outfile, "thetacorr", 0, 0 );
337	+	if (args_info->drcorr_given)
338	+	write_into_file(outfile, "drcorr", 0, 0 );
339	+	if (args_info->helfandEcorr_given)
340	+	write_into_file(outfile, "helfandEcorr", 0, 0 );
341	+	if (args_info->momentum_given)
342	+	write_into_file(outfile, "momentum", 0, 0 );
343	+	if (args_info->stresscorr_given)
344	+	write_into_file(outfile, "stresscorr", 0, 0 );
345	+	if (args_info->bondcorr_given)
346	+	write_into_file(outfile, "bondcorr", 0, 0 );
347	+	if (args_info->freqfluccorr_given)
348	+	write_into_file(outfile, "freqfluccorr", 0, 0 );
349	+
350	+
351	+	i = EXIT_SUCCESS;
352	+	return i;
353	+	}
354	+
355	+	int
356		cmdline_parser_file_save(const char *filename, struct gengetopt_args_info *args_info)
357		{
358		FILE *outfile;
#	Line 181 | Line 366 | cmdline_parser_file_save(const char *filename, struct
366		return EXIT_FAILURE;
367		}
368
369	<	if (args_info->help_given) {
185	<	fprintf(outfile, "%s\n", "help");
186	<	}
187	<	if (args_info->version_given) {
188	<	fprintf(outfile, "%s\n", "version");
189	<	}
190	<	if (args_info->input_given) {
191	<	if (args_info->input_orig) {
192	<	fprintf(outfile, "%s=\"%s\"\n", "input", args_info->input_orig);
193	<	} else {
194	<	fprintf(outfile, "%s\n", "input");
195	<	}
196	<	}
197	<	if (args_info->output_given) {
198	<	if (args_info->output_orig) {
199	<	fprintf(outfile, "%s=\"%s\"\n", "output", args_info->output_orig);
200	<	} else {
201	<	fprintf(outfile, "%s\n", "output");
202	<	}
203	<	}
204	<	if (args_info->sele1_given) {
205	<	if (args_info->sele1_orig) {
206	<	fprintf(outfile, "%s=\"%s\"\n", "sele1", args_info->sele1_orig);
207	<	} else {
208	<	fprintf(outfile, "%s\n", "sele1");
209	<	}
210	<	}
211	<	if (args_info->sele2_given) {
212	<	if (args_info->sele2_orig) {
213	<	fprintf(outfile, "%s=\"%s\"\n", "sele2", args_info->sele2_orig);
214	<	} else {
215	<	fprintf(outfile, "%s\n", "sele2");
216	<	}
217	<	}
218	<	if (args_info->order_given) {
219	<	if (args_info->order_orig) {
220	<	fprintf(outfile, "%s=\"%s\"\n", "order", args_info->order_orig);
221	<	} else {
222	<	fprintf(outfile, "%s\n", "order");
223	<	}
224	<	}
225	<	if (args_info->rcorr_given) {
226	<	fprintf(outfile, "%s\n", "rcorr");
227	<	}
228	<	if (args_info->vcorr_given) {
229	<	fprintf(outfile, "%s\n", "vcorr");
230	<	}
231	<	if (args_info->dcorr_given) {
232	<	fprintf(outfile, "%s\n", "dcorr");
233	<	}
234	<	if (args_info->lcorr_given) {
235	<	fprintf(outfile, "%s\n", "lcorr");
236	<	}
237	<	if (args_info->r_rcorr_given) {
238	<	fprintf(outfile, "%s\n", "r_rcorr");
239	<	}
240	<	if (args_info->thetacorr_given) {
241	<	fprintf(outfile, "%s\n", "thetacorr");
242	<	}
243	<
369	>	i = cmdline_parser_dump(outfile, args_info);
370		fclose (outfile);
371
246	–	i = EXIT_SUCCESS;
372		return i;
373		}
374
#	Line 253 | Line 378 | cmdline_parser_free (struct gengetopt_args_info *args_
378		cmdline_parser_release (args_info);
379		}
380
381	<
257	<	/* gengetopt_strdup() */
258	<	/* strdup.c replacement of strdup, which is not standard */
381	>	/** @brief replacement of strdup, which is not standard */
382		char *
383		gengetopt_strdup (const char *s)
384		{
385	<	char *result = NULL;
385	>	char *result = 0;
386		if (!s)
387		return result;
388
#	Line 271 | Line 394 | static void
394		}
395
396		static void
274	–	reset_group_dynamicProps(struct gengetopt_args_info *args_info);
275	–
276	–	static void
397		reset_group_dynamicProps(struct gengetopt_args_info *args_info)
398		{
399		if (! args_info->dynamicProps_group_counter)
400		return;
401
402	+	args_info->selecorr_given = 0 ;
403		args_info->rcorr_given = 0 ;
404		args_info->vcorr_given = 0 ;
405		args_info->dcorr_given = 0 ;
406		args_info->lcorr_given = 0 ;
407	+	args_info->lcorrZ_given = 0 ;
408	+	args_info->cohZ_given = 0 ;
409	+	args_info->sdcorr_given = 0 ;
410		args_info->r_rcorr_given = 0 ;
411		args_info->thetacorr_given = 0 ;
412	+	args_info->drcorr_given = 0 ;
413	+	args_info->helfandEcorr_given = 0 ;
414	+	args_info->momentum_given = 0 ;
415	+	args_info->stresscorr_given = 0 ;
416	+	args_info->bondcorr_given = 0 ;
417	+	args_info->freqfluccorr_given = 0 ;
418
419		args_info->dynamicProps_group_counter = 0;
420		}
421
422		int
423	<	cmdline_parser (int argc, char * const *argv, struct gengetopt_args_info *args_info)
423	>	cmdline_parser (int argc, char **argv, struct gengetopt_args_info *args_info)
424		{
425		return cmdline_parser2 (argc, argv, args_info, 0, 1, 1);
426		}
427
428		int
429	<	cmdline_parser2 (int argc, char * const *argv, struct gengetopt_args_info *args_info, int override, int initialize, int check_required)
429	>	cmdline_parser_ext (int argc, char **argv, struct gengetopt_args_info *args_info,
430	>	struct cmdline_parser_params *params)
431		{
432		int result;
433	+	result = cmdline_parser_internal (argc, argv, args_info, params, 0);
434
435	<	result = cmdline_parser_internal (argc, argv, args_info, override, initialize, check_required, NULL);
435	>	if (result == EXIT_FAILURE)
436	>	{
437	>	cmdline_parser_free (args_info);
438	>	exit (EXIT_FAILURE);
439	>	}
440	>
441	>	return result;
442	>	}
443
444	+	int
445	+	cmdline_parser2 (int argc, char **argv, struct gengetopt_args_info *args_info, int override, int initialize, int check_required)
446	+	{
447	+	int result;
448	+	struct cmdline_parser_params params;
449	+
450	+	params.override = override;
451	+	params.initialize = initialize;
452	+	params.check_required = check_required;
453	+	params.check_ambiguity = 0;
454	+	params.print_errors = 1;
455	+
456	+	result = cmdline_parser_internal (argc, argv, args_info, &params, 0);
457	+
458		if (result == EXIT_FAILURE)
459		{
460		cmdline_parser_free (args_info);
#	Line 316 | Line 469 | cmdline_parser_required (struct gengetopt_args_info *a
469		{
470		int result = EXIT_SUCCESS;
471
472	<	if (cmdline_parser_required2(args_info, prog_name, NULL) > 0)
472	>	if (cmdline_parser_required2(args_info, prog_name, 0) > 0)
473		result = EXIT_FAILURE;
474
475		if (result == EXIT_FAILURE)
#	Line 332 | Line 485 | cmdline_parser_required2 (struct gengetopt_args_info *
485		cmdline_parser_required2 (struct gengetopt_args_info *args_info, const char *prog_name, const char *additional_error)
486		{
487		int error = 0;
488	+	FIX_UNUSED (additional_error);
489
490	+	/* checks for required options */
491		if (! args_info->input_given)
492		{
493		fprintf (stderr, "%s: '--input' ('-i') option required%s\n", prog_name, (additional_error ? additional_error : ""));
494		error = 1;
495		}
496	+
497		if (args_info->dynamicProps_group_counter == 0)
498		{
499	<	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 : ""));
499	>	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 : ""));
500		error = 1;
501		}
502
503
504	+	/* checks for dependences among options */
505	+
506		return error;
507		}
508
509	+
510	+	static char *package_name = 0;
511	+
512	+	/**
513	+	* @brief updates an option
514	+	* @param field the generic pointer to the field to update
515	+	* @param orig_field the pointer to the orig field
516	+	* @param field_given the pointer to the number of occurrence of this option
517	+	* @param prev_given the pointer to the number of occurrence already seen
518	+	* @param value the argument for this option (if null no arg was specified)
519	+	* @param possible_values the possible values for this option (if specified)
520	+	* @param default_value the default value (in case the option only accepts fixed values)
521	+	* @param arg_type the type of this option
522	+	* @param check_ambiguity @see cmdline_parser_params.check_ambiguity
523	+	* @param override @see cmdline_parser_params.override
524	+	* @param no_free whether to free a possible previous value
525	+	* @param multiple_option whether this is a multiple option
526	+	* @param long_opt the corresponding long option
527	+	* @param short_opt the corresponding short option (or '-' if none)
528	+	* @param additional_error possible further error specification
529	+	*/
530	+	static
531	+	int update_arg(void *field, char **orig_field,
532	+	unsigned int *field_given, unsigned int *prev_given,
533	+	char *value, const char *possible_values[],
534	+	const char *default_value,
535	+	cmdline_parser_arg_type arg_type,
536	+	int check_ambiguity, int override,
537	+	int no_free, int multiple_option,
538	+	const char *long_opt, char short_opt,
539	+	const char *additional_error)
540	+	{
541	+	char *stop_char = 0;
542	+	const char *val = value;
543	+	int found;
544	+	char **string_field;
545	+	FIX_UNUSED (field);
546	+
547	+	stop_char = 0;
548	+	found = 0;
549	+
550	+	if (!multiple_option && prev_given && (*prev_given || (check_ambiguity && *field_given)))
551	+	{
552	+	if (short_opt != '-')
553	+	fprintf (stderr, "%s: `--%s' (`-%c') option given more than once%s\n",
554	+	package_name, long_opt, short_opt,
555	+	(additional_error ? additional_error : ""));
556	+	else
557	+	fprintf (stderr, "%s: `--%s' option given more than once%s\n",
558	+	package_name, long_opt,
559	+	(additional_error ? additional_error : ""));
560	+	return 1; /* failure */
561	+	}
562	+
563	+	FIX_UNUSED (default_value);
564	+
565	+	if (field_given && *field_given && ! override)
566	+	return 0;
567	+	if (prev_given)
568	+	(*prev_given)++;
569	+	if (field_given)
570	+	(*field_given)++;
571	+	if (possible_values)
572	+	val = possible_values[found];
573	+
574	+	switch(arg_type) {
575	+	case ARG_INT:
576	+	if (val) *((int *)field) = strtol (val, &stop_char, 0);
577	+	break;
578	+	case ARG_STRING:
579	+	if (val) {
580	+	string_field = (char **)field;
581	+	if (!no_free && *string_field)
582	+	free (*string_field); /* free previous string */
583	+	*string_field = gengetopt_strdup (val);
584	+	}
585	+	break;
586	+	default:
587	+	break;
588	+	};
589	+
590	+	/* check numeric conversion */
591	+	switch(arg_type) {
592	+	case ARG_INT:
593	+	if (val && !(stop_char && *stop_char == '\0')) {
594	+	fprintf(stderr, "%s: invalid numeric value: %s\n", package_name, val);
595	+	return 1; /* failure */
596	+	}
597	+	break;
598	+	default:
599	+	;
600	+	};
601	+
602	+	/* store the original value */
603	+	switch(arg_type) {
604	+	case ARG_NO:
605	+	break;
606	+	default:
607	+	if (value && orig_field) {
608	+	if (no_free) {
609	+	*orig_field = value;
610	+	} else {
611	+	if (*orig_field)
612	+	free (*orig_field); /* free previous string */
613	+	*orig_field = gengetopt_strdup (value);
614	+	}
615	+	}
616	+	};
617	+
618	+	return 0; /* OK */
619	+	}
620	+
621	+
622		int
623	<	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)
623	>	cmdline_parser_internal (
624	>	int argc, char **argv, struct gengetopt_args_info *args_info,
625	>	struct cmdline_parser_params *params, const char *additional_error)
626		{
627		int c;        /* Character of the parsed option.  */
628
629		int error = 0;
630		struct gengetopt_args_info local_args_info;
631	+
632	+	int override;
633	+	int initialize;
634	+	int check_required;
635	+	int check_ambiguity;
636	+
637	+	package_name = argv[0];
638	+
639	+	override = params->override;
640	+	initialize = params->initialize;
641	+	check_required = params->check_required;
642	+	check_ambiguity = params->check_ambiguity;
643
644		if (initialize)
645		cmdline_parser_init (args_info);
#	Line 362 | Line 647 | cmdline_parser_internal (int argc, char * const *argv,
647		cmdline_parser_init (&local_args_info);
648
649		optarg = 0;
650	<	optind = 1;
651	<	opterr = 1;
650	>	optind = 0;
651	>	opterr = params->print_errors;
652		optopt = '?';
653
654		while (1)
655		{
656		int option_index = 0;
372	–	char *stop_char;
657
658		static struct option long_options[] = {
659		{ "help",       0, NULL, 'h' },
#	Line 379 | Line 663 | cmdline_parser_internal (int argc, char * const *argv,
663		{ "sele1",      1, NULL, 0 },
664		{ "sele2",      1, NULL, 0 },
665		{ "order",      1, NULL, 0 },
666	+	{ "nzbins",     1, NULL, 'z' },
667	+	{ "memory",     1, NULL, 'm' },
668	+	{ "selecorr",   0, NULL, 's' },
669		{ "rcorr",      0, NULL, 'r' },
670		{ "vcorr",      0, NULL, 'v' },
671		{ "dcorr",      0, NULL, 'd' },
672		{ "lcorr",      0, NULL, 'l' },
673	+	{ "lcorrZ",     0, NULL, 0 },
674	+	{ "cohZ",       0, NULL, 0 },
675	+	{ "sdcorr",     0, NULL, 'M' },
676		{ "r_rcorr",    0, NULL, 0 },
677		{ "thetacorr",  0, NULL, 0 },
678	<	{ NULL, 0, NULL, 0 }
678	>	{ "drcorr",     0, NULL, 0 },
679	>	{ "helfandEcorr",       0, NULL, 0 },
680	>	{ "momentum",   0, NULL, 'p' },
681	>	{ "stresscorr", 0, NULL, 0 },
682	>	{ "bondcorr",   0, NULL, 'b' },
683	>	{ "freqfluccorr",       0, NULL, 'f' },
684	>	{ 0,  0, 0, 0 }
685		};
686
687	<	stop_char = 0;
392	<	c = getopt_long (argc, argv, "hVi:o:rvdl", long_options, &option_index);
687	>	c = getopt_long (argc, argv, "hVi:o:z:m:srvdlMpbf", long_options, &option_index);
688
689		if (c == -1) break;       /* Exit from `while (1)' loop.  */
690
#	Line 406 | Line 701 | cmdline_parser_internal (int argc, char * const *argv,
701		exit (EXIT_SUCCESS);
702
703		case 'i':       /* input dump file.  */
704	<	if (local_args_info.input_given)
705	<	{
706	<	fprintf (stderr, "%s: `--input' (`-i') option given more than once%s\n", argv[0], (additional_error ? additional_error : ""));
707	<	goto failure;
708	<	}
709	<	if (args_info->input_given && ! override)
710	<	continue;
711	<	local_args_info.input_given = 1;
712	<	args_info->input_given = 1;
713	<	if (args_info->input_arg)
419	<	free (args_info->input_arg); /* free previous string */
420	<	args_info->input_arg = gengetopt_strdup (optarg);
421	<	if (args_info->input_orig)
422	<	free (args_info->input_orig); /* free previous string */
423	<	args_info->input_orig = gengetopt_strdup (optarg);
704	>
705	>
706	>	if (update_arg( (void *)&(args_info->input_arg),
707	>	&(args_info->input_orig), &(args_info->input_given),
708	>	&(local_args_info.input_given), optarg, 0, 0, ARG_STRING,
709	>	check_ambiguity, override, 0, 0,
710	>	"input", 'i',
711	>	additional_error))
712	>	goto failure;
713	>
714		break;
425	–
715		case 'o':       /* output file name.  */
716	<	if (local_args_info.output_given)
717	<	{
718	<	fprintf (stderr, "%s: `--output' (`-o') option given more than once%s\n", argv[0], (additional_error ? additional_error : ""));
719	<	goto failure;
720	<	}
721	<	if (args_info->output_given && ! override)
722	<	continue;
723	<	local_args_info.output_given = 1;
724	<	args_info->output_given = 1;
725	<	if (args_info->output_arg)
437	<	free (args_info->output_arg); /* free previous string */
438	<	args_info->output_arg = gengetopt_strdup (optarg);
439	<	if (args_info->output_orig)
440	<	free (args_info->output_orig); /* free previous string */
441	<	args_info->output_orig = gengetopt_strdup (optarg);
716	>
717	>
718	>	if (update_arg( (void *)&(args_info->output_arg),
719	>	&(args_info->output_orig), &(args_info->output_given),
720	>	&(local_args_info.output_given), optarg, 0, 0, ARG_STRING,
721	>	check_ambiguity, override, 0, 0,
722	>	"output", 'o',
723	>	additional_error))
724	>	goto failure;
725	>
726		break;
727	<
727	>	case 'z':       /* Number of Z bins.  */
728	>
729	>
730	>	if (update_arg( (void *)&(args_info->nzbins_arg),
731	>	&(args_info->nzbins_orig), &(args_info->nzbins_given),
732	>	&(local_args_info.nzbins_given), optarg, 0, "100", ARG_INT,
733	>	check_ambiguity, override, 0, 0,
734	>	"nzbins", 'z',
735	>	additional_error))
736	>	goto failure;
737	>
738	>	break;
739	>	case 'm':       /* Available memory (defaults to 2G).  */
740	>
741	>
742	>	if (update_arg( (void *)&(args_info->memory_arg),
743	>	&(args_info->memory_orig), &(args_info->memory_given),
744	>	&(local_args_info.memory_given), optarg, 0, "2G", ARG_STRING,
745	>	check_ambiguity, override, 0, 0,
746	>	"memory", 'm',
747	>	additional_error))
748	>	goto failure;
749	>
750	>	break;
751	>	case 's':       /* selection 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->selecorr_given),
759	>	&(local_args_info.selecorr_given), optarg, 0, 0, ARG_NO,
760	>	check_ambiguity, override, 0, 0,
761	>	"selecorr", 's',
762	>	additional_error))
763	>	goto failure;
764	>
765	>	break;
766		case 'r':       /* rmsd.  */
767	<	if (local_args_info.rcorr_given)
446	<	{
447	<	fprintf (stderr, "%s: `--rcorr' (`-r') option given more than once%s\n", argv[0], (additional_error ? additional_error : ""));
448	<	goto failure;
449	<	}
450	<	if (args_info->rcorr_given && ! override)
451	<	continue;
452	<	local_args_info.rcorr_given = 1;
453	<	args_info->rcorr_given = 1;
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->rcorr_given),
774	+	&(local_args_info.rcorr_given), optarg, 0, 0, ARG_NO,
775	+	check_ambiguity, override, 0, 0,
776	+	"rcorr", 'r',
777	+	additional_error))
778	+	goto failure;
779	+
780		break;
458	–
781		case 'v':       /* velocity correlation function.  */
782	<	if (local_args_info.vcorr_given)
461	<	{
462	<	fprintf (stderr, "%s: `--vcorr' (`-v') option given more than once%s\n", argv[0], (additional_error ? additional_error : ""));
463	<	goto failure;
464	<	}
465	<	if (args_info->vcorr_given && ! override)
466	<	continue;
467	<	local_args_info.vcorr_given = 1;
468	<	args_info->vcorr_given = 1;
782	>
783		if (args_info->dynamicProps_group_counter && override)
784		reset_group_dynamicProps (args_info);
785		args_info->dynamicProps_group_counter += 1;
786	+
787	+	if (update_arg( 0 ,
788	+	0 , &(args_info->vcorr_given),
789	+	&(local_args_info.vcorr_given), optarg, 0, 0, ARG_NO,
790	+	check_ambiguity, override, 0, 0,
791	+	"vcorr", 'v',
792	+	additional_error))
793	+	goto failure;
794	+
795		break;
473	–
796		case 'd':       /* dipole correlation function.  */
797	<	if (local_args_info.dcorr_given)
476	<	{
477	<	fprintf (stderr, "%s: `--dcorr' (`-d') option given more than once%s\n", argv[0], (additional_error ? additional_error : ""));
478	<	goto failure;
479	<	}
480	<	if (args_info->dcorr_given && ! override)
481	<	continue;
482	<	local_args_info.dcorr_given = 1;
483	<	args_info->dcorr_given = 1;
797	>
798		if (args_info->dynamicProps_group_counter && override)
799		reset_group_dynamicProps (args_info);
800		args_info->dynamicProps_group_counter += 1;
801	+
802	+	if (update_arg( 0 ,
803	+	0 , &(args_info->dcorr_given),
804	+	&(local_args_info.dcorr_given), optarg, 0, 0, ARG_NO,
805	+	check_ambiguity, override, 0, 0,
806	+	"dcorr", 'd',
807	+	additional_error))
808	+	goto failure;
809	+
810		break;
488	–
811		case 'l':       /* Lengendre correlation function.  */
812	<	if (local_args_info.lcorr_given)
491	<	{
492	<	fprintf (stderr, "%s: `--lcorr' (`-l') option given more than once%s\n", argv[0], (additional_error ? additional_error : ""));
493	<	goto failure;
494	<	}
495	<	if (args_info->lcorr_given && ! override)
496	<	continue;
497	<	local_args_info.lcorr_given = 1;
498	<	args_info->lcorr_given = 1;
812	>
813		if (args_info->dynamicProps_group_counter && override)
814		reset_group_dynamicProps (args_info);
815		args_info->dynamicProps_group_counter += 1;
816	+
817	+	if (update_arg( 0 ,
818	+	0 , &(args_info->lcorr_given),
819	+	&(local_args_info.lcorr_given), optarg, 0, 0, ARG_NO,
820	+	check_ambiguity, override, 0, 0,
821	+	"lcorr", 'l',
822	+	additional_error))
823	+	goto failure;
824	+
825		break;
826	<
826	>	case 'M':       /* System dipole correlation function.  */
827	>
828	>	if (args_info->dynamicProps_group_counter && override)
829	>	reset_group_dynamicProps (args_info);
830	>	args_info->dynamicProps_group_counter += 1;
831	>
832	>	if (update_arg( 0 ,
833	>	0 , &(args_info->sdcorr_given),
834	>	&(local_args_info.sdcorr_given), optarg, 0, 0, ARG_NO,
835	>	check_ambiguity, override, 0, 0,
836	>	"sdcorr", 'M',
837	>	additional_error))
838	>	goto failure;
839	>
840	>	break;
841	>	case 'p':       /* Helfand momentum for viscosity.  */
842	>
843	>	if (args_info->dynamicProps_group_counter && override)
844	>	reset_group_dynamicProps (args_info);
845	>	args_info->dynamicProps_group_counter += 1;
846	>
847	>	if (update_arg( 0 ,
848	>	0 , &(args_info->momentum_given),
849	>	&(local_args_info.momentum_given), optarg, 0, 0, ARG_NO,
850	>	check_ambiguity, override, 0, 0,
851	>	"momentum", 'p',
852	>	additional_error))
853	>	goto failure;
854	>
855	>	break;
856	>	case 'b':       /* Bond extension correlation function.  */
857	>
858	>	if (args_info->dynamicProps_group_counter && override)
859	>	reset_group_dynamicProps (args_info);
860	>	args_info->dynamicProps_group_counter += 1;
861	>
862	>	if (update_arg( 0 ,
863	>	0 , &(args_info->bondcorr_given),
864	>	&(local_args_info.bondcorr_given), optarg, 0, 0, ARG_NO,
865	>	check_ambiguity, override, 0, 0,
866	>	"bondcorr", 'b',
867	>	additional_error))
868	>	goto failure;
869	>
870	>	break;
871	>	case 'f':       /* Frequency Fluctuation correlation function.  */
872	>
873	>	if (args_info->dynamicProps_group_counter && override)
874	>	reset_group_dynamicProps (args_info);
875	>	args_info->dynamicProps_group_counter += 1;
876	>
877	>	if (update_arg( 0 ,
878	>	0 , &(args_info->freqfluccorr_given),
879	>	&(local_args_info.freqfluccorr_given), optarg, 0, 0, ARG_NO,
880	>	check_ambiguity, override, 0, 0,
881	>	"freqfluccorr", 'f',
882	>	additional_error))
883	>	goto failure;
884	>
885	>	break;
886
887		case 0: /* Long option with no short option */
888		/* select first stuntdouble set.  */
889		if (strcmp (long_options[option_index].name, "sele1") == 0)
890		{
891	<	if (local_args_info.sele1_given)
892	<	{
893	<	fprintf (stderr, "%s: `--sele1' option given more than once%s\n", argv[0], (additional_error ? additional_error : ""));
894	<	goto failure;
895	<	}
896	<	if (args_info->sele1_given && ! override)
897	<	continue;
898	<	local_args_info.sele1_given = 1;
899	<	args_info->sele1_given = 1;
900	<	if (args_info->sele1_arg)
519	<	free (args_info->sele1_arg); /* free previous string */
520	<	args_info->sele1_arg = gengetopt_strdup (optarg);
521	<	if (args_info->sele1_orig)
522	<	free (args_info->sele1_orig); /* free previous string */
523	<	args_info->sele1_orig = gengetopt_strdup (optarg);
891	>
892	>
893	>	if (update_arg( (void *)&(args_info->sele1_arg),
894	>	&(args_info->sele1_orig), &(args_info->sele1_given),
895	>	&(local_args_info.sele1_given), optarg, 0, 0, ARG_STRING,
896	>	check_ambiguity, override, 0, 0,
897	>	"sele1", '-',
898	>	additional_error))
899	>	goto failure;
900	>
901		}
902		/* select second stuntdouble set (if sele2 is not set, use script from sele1).  */
903		else if (strcmp (long_options[option_index].name, "sele2") == 0)
904		{
905	<	if (local_args_info.sele2_given)
906	<	{
907	<	fprintf (stderr, "%s: `--sele2' option given more than once%s\n", argv[0], (additional_error ? additional_error : ""));
908	<	goto failure;
909	<	}
910	<	if (args_info->sele2_given && ! override)
911	<	continue;
912	<	local_args_info.sele2_given = 1;
913	<	args_info->sele2_given = 1;
914	<	if (args_info->sele2_arg)
538	<	free (args_info->sele2_arg); /* free previous string */
539	<	args_info->sele2_arg = gengetopt_strdup (optarg);
540	<	if (args_info->sele2_orig)
541	<	free (args_info->sele2_orig); /* free previous string */
542	<	args_info->sele2_orig = gengetopt_strdup (optarg);
905	>
906	>
907	>	if (update_arg( (void *)&(args_info->sele2_arg),
908	>	&(args_info->sele2_orig), &(args_info->sele2_given),
909	>	&(local_args_info.sele2_given), optarg, 0, 0, ARG_STRING,
910	>	check_ambiguity, override, 0, 0,
911	>	"sele2", '-',
912	>	additional_error))
913	>	goto failure;
914	>
915		}
916		/* Lengendre Polynomial Order.  */
917		else if (strcmp (long_options[option_index].name, "order") == 0)
918		{
919	<	if (local_args_info.order_given)
920	<	{
921	<	fprintf (stderr, "%s: `--order' option given more than once%s\n", argv[0], (additional_error ? additional_error : ""));
922	<	goto failure;
923	<	}
924	<	if (args_info->order_given && ! override)
925	<	continue;
926	<	local_args_info.order_given = 1;
555	<	args_info->order_given = 1;
556	<	args_info->order_arg = strtol (optarg, &stop_char, 0);
557	<	if (!(stop_char && *stop_char == '\0')) {
558	<	fprintf(stderr, "%s: invalid numeric value: %s\n", argv[0], optarg);
919	>
920	>
921	>	if (update_arg( (void *)&(args_info->order_arg),
922	>	&(args_info->order_orig), &(args_info->order_given),
923	>	&(local_args_info.order_given), optarg, 0, 0, ARG_INT,
924	>	check_ambiguity, override, 0, 0,
925	>	"order", '-',
926	>	additional_error))
927		goto failure;
928	<	}
561	<	if (args_info->order_orig)
562	<	free (args_info->order_orig); /* free previous string */
563	<	args_info->order_orig = gengetopt_strdup (optarg);
928	>
929		}
930	+	/* Lengendre correlation function binned by Z.  */
931	+	else if (strcmp (long_options[option_index].name, "lcorrZ") == 0)
932	+	{
933	+
934	+	if (args_info->dynamicProps_group_counter && override)
935	+	reset_group_dynamicProps (args_info);
936	+	args_info->dynamicProps_group_counter += 1;
937	+
938	+	if (update_arg( 0 ,
939	+	0 , &(args_info->lcorrZ_given),
940	+	&(local_args_info.lcorrZ_given), optarg, 0, 0, ARG_NO,
941	+	check_ambiguity, override, 0, 0,
942	+	"lcorrZ", '-',
943	+	additional_error))
944	+	goto failure;
945	+
946	+	}
947	+	/* Lengendre correlation function for OH bond vectors binned by Z.  */
948	+	else if (strcmp (long_options[option_index].name, "cohZ") == 0)
949	+	{
950	+
951	+	if (args_info->dynamicProps_group_counter && override)
952	+	reset_group_dynamicProps (args_info);
953	+	args_info->dynamicProps_group_counter += 1;
954	+
955	+	if (update_arg( 0 ,
956	+	0 , &(args_info->cohZ_given),
957	+	&(local_args_info.cohZ_given), optarg, 0, 0, ARG_NO,
958	+	check_ambiguity, override, 0, 0,
959	+	"cohZ", '-',
960	+	additional_error))
961	+	goto failure;
962	+
963	+	}
964		/* Radial rmsd.  */
965		else if (strcmp (long_options[option_index].name, "r_rcorr") == 0)
966		{
967	<	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;
967	>
968		if (args_info->dynamicProps_group_counter && override)
969		reset_group_dynamicProps (args_info);
970		args_info->dynamicProps_group_counter += 1;
971	<	break;
971	>
972	>	if (update_arg( 0 ,
973	>	0 , &(args_info->r_rcorr_given),
974	>	&(local_args_info.r_rcorr_given), optarg, 0, 0, ARG_NO,
975	>	check_ambiguity, override, 0, 0,
976	>	"r_rcorr", '-',
977	>	additional_error))
978	>	goto failure;
979	>
980		}
981		/* Angular rmsd.  */
982		else if (strcmp (long_options[option_index].name, "thetacorr") == 0)
983		{
984	<	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;
984	>
985		if (args_info->dynamicProps_group_counter && override)
986		reset_group_dynamicProps (args_info);
987		args_info->dynamicProps_group_counter += 1;
988	<	break;
988	>
989	>	if (update_arg( 0 ,
990	>	0 , &(args_info->thetacorr_given),
991	>	&(local_args_info.thetacorr_given), optarg, 0, 0, ARG_NO,
992	>	check_ambiguity, override, 0, 0,
993	>	"thetacorr", '-',
994	>	additional_error))
995	>	goto failure;
996	>
997		}
998	+	/* Directional rmsd for particles with unit vectors.  */
999	+	else if (strcmp (long_options[option_index].name, "drcorr") == 0)
1000	+	{
1001
1002	+	if (args_info->dynamicProps_group_counter && override)
1003	+	reset_group_dynamicProps (args_info);
1004	+	args_info->dynamicProps_group_counter += 1;
1005	+
1006	+	if (update_arg( 0 ,
1007	+	0 , &(args_info->drcorr_given),
1008	+	&(local_args_info.drcorr_given), optarg, 0, 0, ARG_NO,
1009	+	check_ambiguity, override, 0, 0,
1010	+	"drcorr", '-',
1011	+	additional_error))
1012	+	goto failure;
1013	+
1014	+	}
1015	+	/* Helfand moment for thermal conductvity.  */
1016	+	else if (strcmp (long_options[option_index].name, "helfandEcorr") == 0)
1017	+	{
1018	+
1019	+	if (args_info->dynamicProps_group_counter && override)
1020	+	reset_group_dynamicProps (args_info);
1021	+	args_info->dynamicProps_group_counter += 1;
1022	+
1023	+	if (update_arg( 0 ,
1024	+	0 , &(args_info->helfandEcorr_given),
1025	+	&(local_args_info.helfandEcorr_given), optarg, 0, 0, ARG_NO,
1026	+	check_ambiguity, override, 0, 0,
1027	+	"helfandEcorr", '-',
1028	+	additional_error))
1029	+	goto failure;
1030	+
1031	+	}
1032	+	/* Stress tensor correlation function.  */
1033	+	else if (strcmp (long_options[option_index].name, "stresscorr") == 0)
1034	+	{
1035	+
1036	+	if (args_info->dynamicProps_group_counter && override)
1037	+	reset_group_dynamicProps (args_info);
1038	+	args_info->dynamicProps_group_counter += 1;
1039	+
1040	+	if (update_arg( 0 ,
1041	+	0 , &(args_info->stresscorr_given),
1042	+	&(local_args_info.stresscorr_given), optarg, 0, 0, ARG_NO,
1043	+	check_ambiguity, override, 0, 0,
1044	+	"stresscorr", '-',
1045	+	additional_error))
1046	+	goto failure;
1047	+
1048	+	}
1049	+
1050		break;
1051		case '?':       /* Invalid option.  */
1052		/* `getopt_long' already printed an error message.  */
#	Line 610 | Line 1060 | cmdline_parser_internal (int argc, char * const *argv,
1060
1061		if (args_info->dynamicProps_group_counter > 1)
1062		{
1063	<	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 : ""));
1063	>	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 : ""));
1064		error = 1;
1065		}
1066
#	Line 629 | Line 1079 | cmdline_parser_internal (int argc, char * const *argv,
1079		if (optind < argc)
1080		{
1081		int i = 0 ;
1082	+	int found_prog_name = 0;
1083	+	/* whether program name, i.e., argv[0], is in the remaining args
1084	+	(this may happen with some implementations of getopt,
1085	+	but surely not with the one included by gengetopt) */
1086
1087	<	args_info->inputs_num = argc - optind ;
1087	>	i = optind;
1088	>	while (i < argc)
1089	>	if (argv[i++] == argv[0]) {
1090	>	found_prog_name = 1;
1091	>	break;
1092	>	}
1093	>	i = 0;
1094	>
1095	>	args_info->inputs_num = argc - optind - found_prog_name;
1096		args_info->inputs =
1097		(char **)(malloc ((args_info->inputs_num)*sizeof(char *))) ;
1098		while (optind < argc)
1099	<	args_info->inputs[ i++ ] = gengetopt_strdup (argv[optind++]) ;
1099	>	if (argv[optind++] != argv[0])
1100	>	args_info->inputs[ i++ ] = gengetopt_strdup (argv[optind-1]) ;
1101		}
1102
1103		return 0;

Comparing:
trunk/src/applications/dynamicProps/DynamicPropsCmd.c (property svn:keywords), Revision 1112 by chuckv, Wed Jan 3 20:47:00 2007 UTC vs.
trunk/src/applications/dynamicProps/DynamicPropsCmd.cpp (property svn:keywords), Revision 2003 by gezelter, Sun Jun 1 19:28:44 2014 UTC

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

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