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

Comparing:
trunk/src/applications/dynamicProps/DynamicPropsCmd.c (file contents), Revision 1183 by xsun, Tue Oct 2 12:05:25 2007 UTC vs.
trunk/src/applications/dynamicProps/DynamicPropsCmd.cpp (file contents), Revision 1939 by gezelter, Thu Oct 31 18:18:57 2013 UTC

#	Line 1 | Line 1
1		/*
2	<	File autogenerated by gengetopt version 2.16
2	>	File autogenerated by gengetopt version 2.22.4
3		generated with the following command:
4	<	gengetopt -F DynamicPropsCmd
4	>	gengetopt --file-name=DynamicPropsCmd --unamed-opts
5
6		The developers of gengetopt consider the fixed text that goes in all
7		gengetopt output files to be in the public domain:
#	Line 17 | Line 17
17		#include <stdlib.h>
18		#include <string.h>
19
20	<	#include "getopt.h"
20	>	#ifndef FIX_UNUSED
21	>	#define FIX_UNUSED(X) (void) (X) /* avoid warnings for unused params */
22	>	#endif
23
24	+	#ifdef WIN32
25	+	#include "utils/wingetopt.h"
26	+	#else
27	+	#include <getopt.h>
28	+	#endif
29	+
30		#include "DynamicPropsCmd.h"
31
32	+	const char *gengetopt_args_info_purpose = "";
33	+
34	+	const char *gengetopt_args_info_usage = "Usage: DynamicProps [OPTIONS]... [FILES]...";
35	+
36	+	const char *gengetopt_args_info_description = "";
37	+
38	+	const char *gengetopt_args_info_help[] = {
39	+	"  -h, --help                    Print help and exit",
40	+	"  -V, --version                 Print version and exit",
41	+	"  -i, --input=filename          input dump file",
42	+	"  -o, --output=filename         output file name",
43	+	"      --sele1=selection script  select first stuntdouble set",
44	+	"      --sele2=selection script  select second stuntdouble set (if sele2 is not \n                                  set, use script from sele1)",
45	+	"      --order=INT               Lengendre Polynomial Order",
46	+	"  -z, --nzbins=INT              Number of Z bins  (default=`100')",
47	+	"  -m, --memory=memory specification\n                                Available memory (defaults to 2G)  \n                                  (default=`2G')",
48	+	"\n Group: dynamicProps\n   an option of this group is required",
49	+	"  -s, --selecorr                selection correlation function",
50	+	"  -r, --rcorr                   rmsd",
51	+	"  -v, --vcorr                   velocity correlation function",
52	+	"  -d, --dcorr                   dipole correlation function",
53	+	"  -l, --lcorr                   Lengendre correlation function",
54	+	"      --lcorrZ                  Lengendre correlation function binned by Z",
55	+	"      --cohZ                    Lengendre correlation function for OH bond \n                                  vectors binned by Z",
56	+	"  -M, --sdcorr                  System dipole correlation function",
57	+	"      --r_rcorr                 Radial rmsd",
58	+	"      --thetacorr               Angular rmsd",
59	+	"      --drcorr                  Directional rmsd for particles with unit \n                                  vectors",
60	+	"      --helfandEcorr            Helfand moment for thermal conductvity",
61	+	"  -p, --momentum                Helfand momentum for viscosity",
62	+	"      --stresscorr              Stress tensor correlation function",
63	+	0
64	+	};
65	+
66	+	typedef enum {ARG_NO
67	+	, ARG_STRING
68	+	, ARG_INT
69	+	} cmdline_parser_arg_type;
70	+
71		static
72		void clear_given (struct gengetopt_args_info *args_info);
73		static
74		void clear_args (struct gengetopt_args_info *args_info);
75
76		static int
77	<	cmdline_parser_internal (int argc, char * const *argv, struct gengetopt_args_info *args_info, int override, int initialize, int check_required, const char *additional_error);
77	>	cmdline_parser_internal (int argc, char **argv, struct gengetopt_args_info *args_info,
78	>	struct cmdline_parser_params *params, const char *additional_error);
79
80		static int
81		cmdline_parser_required2 (struct gengetopt_args_info *args_info, const char *prog_name, const char *additional_error);
#	Line 45 | Line 93 | void clear_given (struct gengetopt_args_info *args_inf
93		args_info->sele1_given = 0 ;
94		args_info->sele2_given = 0 ;
95		args_info->order_given = 0 ;
96	+	args_info->nzbins_given = 0 ;
97	+	args_info->memory_given = 0 ;
98	+	args_info->selecorr_given = 0 ;
99		args_info->rcorr_given = 0 ;
100		args_info->vcorr_given = 0 ;
101		args_info->dcorr_given = 0 ;
102		args_info->lcorr_given = 0 ;
103	+	args_info->lcorrZ_given = 0 ;
104	+	args_info->cohZ_given = 0 ;
105	+	args_info->sdcorr_given = 0 ;
106		args_info->r_rcorr_given = 0 ;
107		args_info->thetacorr_given = 0 ;
54	–	args_info->actioncorr_given = 0 ;
108		args_info->drcorr_given = 0 ;
109	+	args_info->helfandEcorr_given = 0 ;
110	+	args_info->momentum_given = 0 ;
111	+	args_info->stresscorr_given = 0 ;
112		args_info->dynamicProps_group_counter = 0 ;
113		}
114
115		static
116		void clear_args (struct gengetopt_args_info *args_info)
117		{
118	+	FIX_UNUSED (args_info);
119		args_info->input_arg = NULL;
120		args_info->input_orig = NULL;
121		args_info->output_arg = NULL;
#	Line 68 | Line 125 | void clear_args (struct gengetopt_args_info *args_info
125		args_info->sele2_arg = NULL;
126		args_info->sele2_orig = NULL;
127		args_info->order_orig = NULL;
128	+	args_info->nzbins_arg = 100;
129	+	args_info->nzbins_orig = NULL;
130	+	args_info->memory_arg = gengetopt_strdup ("2G");
131	+	args_info->memory_orig = NULL;
132
133		}
134
135	+	static
136	+	void init_args_info(struct gengetopt_args_info *args_info)
137	+	{
138	+
139	+
140	+	args_info->help_help = gengetopt_args_info_help[0] ;
141	+	args_info->version_help = gengetopt_args_info_help[1] ;
142	+	args_info->input_help = gengetopt_args_info_help[2] ;
143	+	args_info->output_help = gengetopt_args_info_help[3] ;
144	+	args_info->sele1_help = gengetopt_args_info_help[4] ;
145	+	args_info->sele2_help = gengetopt_args_info_help[5] ;
146	+	args_info->order_help = gengetopt_args_info_help[6] ;
147	+	args_info->nzbins_help = gengetopt_args_info_help[7] ;
148	+	args_info->memory_help = gengetopt_args_info_help[8] ;
149	+	args_info->selecorr_help = gengetopt_args_info_help[10] ;
150	+	args_info->rcorr_help = gengetopt_args_info_help[11] ;
151	+	args_info->vcorr_help = gengetopt_args_info_help[12] ;
152	+	args_info->dcorr_help = gengetopt_args_info_help[13] ;
153	+	args_info->lcorr_help = gengetopt_args_info_help[14] ;
154	+	args_info->lcorrZ_help = gengetopt_args_info_help[15] ;
155	+	args_info->cohZ_help = gengetopt_args_info_help[16] ;
156	+	args_info->sdcorr_help = gengetopt_args_info_help[17] ;
157	+	args_info->r_rcorr_help = gengetopt_args_info_help[18] ;
158	+	args_info->thetacorr_help = gengetopt_args_info_help[19] ;
159	+	args_info->drcorr_help = gengetopt_args_info_help[20] ;
160	+	args_info->helfandEcorr_help = gengetopt_args_info_help[21] ;
161	+	args_info->momentum_help = gengetopt_args_info_help[22] ;
162	+	args_info->stresscorr_help = gengetopt_args_info_help[23] ;
163	+
164	+	}
165	+
166		void
167		cmdline_parser_print_version (void)
168		{
169	<	printf ("%s %s\n", CMDLINE_PARSER_PACKAGE, CMDLINE_PARSER_VERSION);
169	>	printf ("%s %s\n",
170	>	(strlen(CMDLINE_PARSER_PACKAGE_NAME) ? CMDLINE_PARSER_PACKAGE_NAME : CMDLINE_PARSER_PACKAGE),
171	>	CMDLINE_PARSER_VERSION);
172		}
173
174	+	static void print_help_common(void) {
175	+	cmdline_parser_print_version ();
176	+
177	+	if (strlen(gengetopt_args_info_purpose) > 0)
178	+	printf("\n%s\n", gengetopt_args_info_purpose);
179	+
180	+	if (strlen(gengetopt_args_info_usage) > 0)
181	+	printf("\n%s\n", gengetopt_args_info_usage);
182	+
183	+	printf("\n");
184	+
185	+	if (strlen(gengetopt_args_info_description) > 0)
186	+	printf("%s\n\n", gengetopt_args_info_description);
187	+	}
188	+
189		void
190		cmdline_parser_print_help (void)
191		{
192	<	cmdline_parser_print_version ();
193	<	printf("\nUsage: DynamicProps [OPTIONS]...\n\n");
194	<	printf("%s\n","  -h, --help                    Print help and exit");
195	<	printf("%s\n","  -V, --version                 Print version and exit");
87	<	printf("%s\n","  -i, --input=filename          input dump file");
88	<	printf("%s\n","  -o, --output=filename         output file name");
89	<	printf("%s\n","      --sele1=selection script  select first stuntdouble set");
90	<	printf("%s\n","      --sele2=selection script  select second stuntdouble set (if sele2 is not \n                                  set, use script from sele1)");
91	<	printf("%s\n","      --order=INT               Lengendre Polynomial Order");
92	<	printf("%s\n","\n Group: dynamicProps\n   an option of this group is required");
93	<	printf("%s\n","  -r, --rcorr                   rmsd");
94	<	printf("%s\n","  -v, --vcorr                   velocity correlation function");
95	<	printf("%s\n","  -d, --dcorr                   dipole correlation function");
96	<	printf("%s\n","  -l, --lcorr                   Lengendre correlation function");
97	<	printf("%s\n","      --r_rcorr                 Radial rmsd");
98	<	printf("%s\n","      --thetacorr               Angular rmsd");
99	<	printf("%s\n","      --actioncorr              Action correlation function");
100	<	printf("%s\n","      --drcorr                  Directional rmsd for particles with unit \n                                  vectors");
101	<
192	>	int i = 0;
193	>	print_help_common();
194	>	while (gengetopt_args_info_help[i])
195	>	printf("%s\n", gengetopt_args_info_help[i++]);
196		}
197
198		void
#	Line 106 | Line 200 | cmdline_parser_init (struct gengetopt_args_info *args_
200		{
201		clear_given (args_info);
202		clear_args (args_info);
203	+	init_args_info (args_info);
204	+
205	+	args_info->inputs = 0;
206	+	args_info->inputs_num = 0;
207		}
208
209	+	void
210	+	cmdline_parser_params_init(struct cmdline_parser_params *params)
211	+	{
212	+	if (params)
213	+	{
214	+	params->override = 0;
215	+	params->initialize = 1;
216	+	params->check_required = 1;
217	+	params->check_ambiguity = 0;
218	+	params->print_errors = 1;
219	+	}
220	+	}
221	+
222	+	struct cmdline_parser_params *
223	+	cmdline_parser_params_create(void)
224	+	{
225	+	struct cmdline_parser_params *params =
226	+	(struct cmdline_parser_params *)malloc(sizeof(struct cmdline_parser_params));
227	+	cmdline_parser_params_init(params);
228	+	return params;
229	+	}
230	+
231		static void
232	+	free_string_field (char **s)
233	+	{
234	+	if (*s)
235	+	{
236	+	free (*s);
237	+	*s = 0;
238	+	}
239	+	}
240	+
241	+
242	+	static void
243		cmdline_parser_release (struct gengetopt_args_info *args_info)
244		{
245	+	unsigned int i;
246	+	free_string_field (&(args_info->input_arg));
247	+	free_string_field (&(args_info->input_orig));
248	+	free_string_field (&(args_info->output_arg));
249	+	free_string_field (&(args_info->output_orig));
250	+	free_string_field (&(args_info->sele1_arg));
251	+	free_string_field (&(args_info->sele1_orig));
252	+	free_string_field (&(args_info->sele2_arg));
253	+	free_string_field (&(args_info->sele2_orig));
254	+	free_string_field (&(args_info->order_orig));
255	+	free_string_field (&(args_info->nzbins_orig));
256	+	free_string_field (&(args_info->memory_arg));
257	+	free_string_field (&(args_info->memory_orig));
258
259	<	if (args_info->input_arg)
259	>
260	>	for (i = 0; i < args_info->inputs_num; ++i)
261	>	free (args_info->inputs [i]);
262	>
263	>	if (args_info->inputs_num)
264	>	free (args_info->inputs);
265	>
266	>	clear_given (args_info);
267	>	}
268	>
269	>
270	>	static void
271	>	write_into_file(FILE *outfile, const char *opt, const char *arg, const char *values[])
272	>	{
273	>	FIX_UNUSED (values);
274	>	if (arg) {
275	>	fprintf(outfile, "%s=\"%s\"\n", opt, arg);
276	>	} else {
277	>	fprintf(outfile, "%s\n", opt);
278	>	}
279	>	}
280	>
281	>
282	>	int
283	>	cmdline_parser_dump(FILE *outfile, struct gengetopt_args_info *args_info)
284	>	{
285	>	int i = 0;
286	>
287	>	if (!outfile)
288		{
289	<	free (args_info->input_arg); /* free previous argument */
290	<	args_info->input_arg = 0;
119	<	}
120	<	if (args_info->input_orig)
121	<	{
122	<	free (args_info->input_orig); /* free previous argument */
123	<	args_info->input_orig = 0;
124	<	}
125	<	if (args_info->output_arg)
126	<	{
127	<	free (args_info->output_arg); /* free previous argument */
128	<	args_info->output_arg = 0;
129	<	}
130	<	if (args_info->output_orig)
131	<	{
132	<	free (args_info->output_orig); /* free previous argument */
133	<	args_info->output_orig = 0;
134	<	}
135	<	if (args_info->sele1_arg)
136	<	{
137	<	free (args_info->sele1_arg); /* free previous argument */
138	<	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;
289	>	fprintf (stderr, "%s: cannot dump options to stream\n", CMDLINE_PARSER_PACKAGE);
290	>	return EXIT_FAILURE;
291		}
292	+
293	+	if (args_info->help_given)
294	+	write_into_file(outfile, "help", 0, 0 );
295	+	if (args_info->version_given)
296	+	write_into_file(outfile, "version", 0, 0 );
297	+	if (args_info->input_given)
298	+	write_into_file(outfile, "input", args_info->input_orig, 0);
299	+	if (args_info->output_given)
300	+	write_into_file(outfile, "output", args_info->output_orig, 0);
301	+	if (args_info->sele1_given)
302	+	write_into_file(outfile, "sele1", args_info->sele1_orig, 0);
303	+	if (args_info->sele2_given)
304	+	write_into_file(outfile, "sele2", args_info->sele2_orig, 0);
305	+	if (args_info->order_given)
306	+	write_into_file(outfile, "order", args_info->order_orig, 0);
307	+	if (args_info->nzbins_given)
308	+	write_into_file(outfile, "nzbins", args_info->nzbins_orig, 0);
309	+	if (args_info->memory_given)
310	+	write_into_file(outfile, "memory", args_info->memory_orig, 0);
311	+	if (args_info->selecorr_given)
312	+	write_into_file(outfile, "selecorr", 0, 0 );
313	+	if (args_info->rcorr_given)
314	+	write_into_file(outfile, "rcorr", 0, 0 );
315	+	if (args_info->vcorr_given)
316	+	write_into_file(outfile, "vcorr", 0, 0 );
317	+	if (args_info->dcorr_given)
318	+	write_into_file(outfile, "dcorr", 0, 0 );
319	+	if (args_info->lcorr_given)
320	+	write_into_file(outfile, "lcorr", 0, 0 );
321	+	if (args_info->lcorrZ_given)
322	+	write_into_file(outfile, "lcorrZ", 0, 0 );
323	+	if (args_info->cohZ_given)
324	+	write_into_file(outfile, "cohZ", 0, 0 );
325	+	if (args_info->sdcorr_given)
326	+	write_into_file(outfile, "sdcorr", 0, 0 );
327	+	if (args_info->r_rcorr_given)
328	+	write_into_file(outfile, "r_rcorr", 0, 0 );
329	+	if (args_info->thetacorr_given)
330	+	write_into_file(outfile, "thetacorr", 0, 0 );
331	+	if (args_info->drcorr_given)
332	+	write_into_file(outfile, "drcorr", 0, 0 );
333	+	if (args_info->helfandEcorr_given)
334	+	write_into_file(outfile, "helfandEcorr", 0, 0 );
335	+	if (args_info->momentum_given)
336	+	write_into_file(outfile, "momentum", 0, 0 );
337	+	if (args_info->stresscorr_given)
338	+	write_into_file(outfile, "stresscorr", 0, 0 );
339
340	<	clear_given (args_info);
340	>
341	>	i = EXIT_SUCCESS;
342	>	return i;
343		}
344
345		int
#	Line 175 | Line 356 | cmdline_parser_file_save(const char *filename, struct
356		return EXIT_FAILURE;
357		}
358
359	<	if (args_info->help_given) {
179	<	fprintf(outfile, "%s\n", "help");
180	<	}
181	<	if (args_info->version_given) {
182	<	fprintf(outfile, "%s\n", "version");
183	<	}
184	<	if (args_info->input_given) {
185	<	if (args_info->input_orig) {
186	<	fprintf(outfile, "%s=\"%s\"\n", "input", args_info->input_orig);
187	<	} else {
188	<	fprintf(outfile, "%s\n", "input");
189	<	}
190	<	}
191	<	if (args_info->output_given) {
192	<	if (args_info->output_orig) {
193	<	fprintf(outfile, "%s=\"%s\"\n", "output", args_info->output_orig);
194	<	} else {
195	<	fprintf(outfile, "%s\n", "output");
196	<	}
197	<	}
198	<	if (args_info->sele1_given) {
199	<	if (args_info->sele1_orig) {
200	<	fprintf(outfile, "%s=\"%s\"\n", "sele1", args_info->sele1_orig);
201	<	} else {
202	<	fprintf(outfile, "%s\n", "sele1");
203	<	}
204	<	}
205	<	if (args_info->sele2_given) {
206	<	if (args_info->sele2_orig) {
207	<	fprintf(outfile, "%s=\"%s\"\n", "sele2", args_info->sele2_orig);
208	<	} else {
209	<	fprintf(outfile, "%s\n", "sele2");
210	<	}
211	<	}
212	<	if (args_info->order_given) {
213	<	if (args_info->order_orig) {
214	<	fprintf(outfile, "%s=\"%s\"\n", "order", args_info->order_orig);
215	<	} else {
216	<	fprintf(outfile, "%s\n", "order");
217	<	}
218	<	}
219	<	if (args_info->rcorr_given) {
220	<	fprintf(outfile, "%s\n", "rcorr");
221	<	}
222	<	if (args_info->vcorr_given) {
223	<	fprintf(outfile, "%s\n", "vcorr");
224	<	}
225	<	if (args_info->dcorr_given) {
226	<	fprintf(outfile, "%s\n", "dcorr");
227	<	}
228	<	if (args_info->lcorr_given) {
229	<	fprintf(outfile, "%s\n", "lcorr");
230	<	}
231	<	if (args_info->r_rcorr_given) {
232	<	fprintf(outfile, "%s\n", "r_rcorr");
233	<	}
234	<	if (args_info->thetacorr_given) {
235	<	fprintf(outfile, "%s\n", "thetacorr");
236	<	}
237	<	if (args_info->actioncorr_given) {
238	<	fprintf(outfile, "%s\n", "actioncorr");
239	<	}
240	<	if (args_info->drcorr_given) {
241	<	fprintf(outfile, "%s\n", "drcorr");
242	<	}
243	<
359	>	i = cmdline_parser_dump(outfile, args_info);
360		fclose (outfile);
361
246	–	i = EXIT_SUCCESS;
362		return i;
363		}
364
#	Line 253 | Line 368 | cmdline_parser_free (struct gengetopt_args_info *args_
368		cmdline_parser_release (args_info);
369		}
370
371	<
257	<	/* gengetopt_strdup() */
258	<	/* strdup.c replacement of strdup, which is not standard */
371	>	/** @brief replacement of strdup, which is not standard */
372		char *
373		gengetopt_strdup (const char *s)
374		{
375	<	char *result = NULL;
375	>	char *result = 0;
376		if (!s)
377		return result;
378
#	Line 271 | Line 384 | static void
384		}
385
386		static void
274	–	reset_group_dynamicProps(struct gengetopt_args_info *args_info);
275	–
276	–	static void
387		reset_group_dynamicProps(struct gengetopt_args_info *args_info)
388		{
389		if (! args_info->dynamicProps_group_counter)
390		return;
391
392	+	args_info->selecorr_given = 0 ;
393		args_info->rcorr_given = 0 ;
394		args_info->vcorr_given = 0 ;
395		args_info->dcorr_given = 0 ;
396		args_info->lcorr_given = 0 ;
397	+	args_info->lcorrZ_given = 0 ;
398	+	args_info->cohZ_given = 0 ;
399	+	args_info->sdcorr_given = 0 ;
400		args_info->r_rcorr_given = 0 ;
401		args_info->thetacorr_given = 0 ;
288	–	args_info->actioncorr_given = 0 ;
402		args_info->drcorr_given = 0 ;
403	+	args_info->helfandEcorr_given = 0 ;
404	+	args_info->momentum_given = 0 ;
405	+	args_info->stresscorr_given = 0 ;
406
407		args_info->dynamicProps_group_counter = 0;
408		}
409
410		int
411	<	cmdline_parser (int argc, char * const *argv, struct gengetopt_args_info *args_info)
411	>	cmdline_parser (int argc, char **argv, struct gengetopt_args_info *args_info)
412		{
413		return cmdline_parser2 (argc, argv, args_info, 0, 1, 1);
414		}
415
416		int
417	<	cmdline_parser2 (int argc, char * const *argv, struct gengetopt_args_info *args_info, int override, int initialize, int check_required)
417	>	cmdline_parser_ext (int argc, char **argv, struct gengetopt_args_info *args_info,
418	>	struct cmdline_parser_params *params)
419		{
420		int result;
421	+	result = cmdline_parser_internal (argc, argv, args_info, params, 0);
422
423	<	result = cmdline_parser_internal (argc, argv, args_info, override, initialize, check_required, NULL);
423	>	if (result == EXIT_FAILURE)
424	>	{
425	>	cmdline_parser_free (args_info);
426	>	exit (EXIT_FAILURE);
427	>	}
428	>
429	>	return result;
430	>	}
431
432	+	int
433	+	cmdline_parser2 (int argc, char **argv, struct gengetopt_args_info *args_info, int override, int initialize, int check_required)
434	+	{
435	+	int result;
436	+	struct cmdline_parser_params params;
437	+
438	+	params.override = override;
439	+	params.initialize = initialize;
440	+	params.check_required = check_required;
441	+	params.check_ambiguity = 0;
442	+	params.print_errors = 1;
443	+
444	+	result = cmdline_parser_internal (argc, argv, args_info, &params, 0);
445	+
446		if (result == EXIT_FAILURE)
447		{
448		cmdline_parser_free (args_info);
#	Line 318 | Line 457 | cmdline_parser_required (struct gengetopt_args_info *a
457		{
458		int result = EXIT_SUCCESS;
459
460	<	if (cmdline_parser_required2(args_info, prog_name, NULL) > 0)
460	>	if (cmdline_parser_required2(args_info, prog_name, 0) > 0)
461		result = EXIT_FAILURE;
462
463		if (result == EXIT_FAILURE)
#	Line 334 | Line 473 | cmdline_parser_required2 (struct gengetopt_args_info *
473		cmdline_parser_required2 (struct gengetopt_args_info *args_info, const char *prog_name, const char *additional_error)
474		{
475		int error = 0;
476	+	FIX_UNUSED (additional_error);
477
478	+	/* checks for required options */
479		if (! args_info->input_given)
480		{
481		fprintf (stderr, "%s: '--input' ('-i') option required%s\n", prog_name, (additional_error ? additional_error : ""));
482		error = 1;
483		}
484	+
485		if (args_info->dynamicProps_group_counter == 0)
486		{
487	<	fprintf (stderr, "%s: %d options of group dynamicProps were given. One is required.%s\n", prog_name, args_info->dynamicProps_group_counter, (additional_error ? additional_error : ""));
487	>	fprintf (stderr, "%s: %d options of group dynamicProps were given. One is required%s.\n", prog_name, args_info->dynamicProps_group_counter, (additional_error ? additional_error : ""));
488		error = 1;
489		}
490
491
492	+	/* checks for dependences among options */
493	+
494		return error;
495	+	}
496	+
497	+
498	+	static char *package_name = 0;
499	+
500	+	/**
501	+	* @brief updates an option
502	+	* @param field the generic pointer to the field to update
503	+	* @param orig_field the pointer to the orig field
504	+	* @param field_given the pointer to the number of occurrence of this option
505	+	* @param prev_given the pointer to the number of occurrence already seen
506	+	* @param value the argument for this option (if null no arg was specified)
507	+	* @param possible_values the possible values for this option (if specified)
508	+	* @param default_value the default value (in case the option only accepts fixed values)
509	+	* @param arg_type the type of this option
510	+	* @param check_ambiguity @see cmdline_parser_params.check_ambiguity
511	+	* @param override @see cmdline_parser_params.override
512	+	* @param no_free whether to free a possible previous value
513	+	* @param multiple_option whether this is a multiple option
514	+	* @param long_opt the corresponding long option
515	+	* @param short_opt the corresponding short option (or '-' if none)
516	+	* @param additional_error possible further error specification
517	+	*/
518	+	static
519	+	int update_arg(void *field, char **orig_field,
520	+	unsigned int *field_given, unsigned int *prev_given,
521	+	char *value, const char *possible_values[],
522	+	const char *default_value,
523	+	cmdline_parser_arg_type arg_type,
524	+	int check_ambiguity, int override,
525	+	int no_free, int multiple_option,
526	+	const char *long_opt, char short_opt,
527	+	const char *additional_error)
528	+	{
529	+	char *stop_char = 0;
530	+	const char *val = value;
531	+	int found;
532	+	char **string_field;
533	+	FIX_UNUSED (field);
534	+
535	+	stop_char = 0;
536	+	found = 0;
537	+
538	+	if (!multiple_option && prev_given && (*prev_given || (check_ambiguity && *field_given)))
539	+	{
540	+	if (short_opt != '-')
541	+	fprintf (stderr, "%s: `--%s' (`-%c') option given more than once%s\n",
542	+	package_name, long_opt, short_opt,
543	+	(additional_error ? additional_error : ""));
544	+	else
545	+	fprintf (stderr, "%s: `--%s' option given more than once%s\n",
546	+	package_name, long_opt,
547	+	(additional_error ? additional_error : ""));
548	+	return 1; /* failure */
549	+	}
550	+
551	+	FIX_UNUSED (default_value);
552	+
553	+	if (field_given && *field_given && ! override)
554	+	return 0;
555	+	if (prev_given)
556	+	(*prev_given)++;
557	+	if (field_given)
558	+	(*field_given)++;
559	+	if (possible_values)
560	+	val = possible_values[found];
561	+
562	+	switch(arg_type) {
563	+	case ARG_INT:
564	+	if (val) *((int *)field) = strtol (val, &stop_char, 0);
565	+	break;
566	+	case ARG_STRING:
567	+	if (val) {
568	+	string_field = (char **)field;
569	+	if (!no_free && *string_field)
570	+	free (*string_field); /* free previous string */
571	+	*string_field = gengetopt_strdup (val);
572	+	}
573	+	break;
574	+	default:
575	+	break;
576	+	};
577	+
578	+	/* check numeric conversion */
579	+	switch(arg_type) {
580	+	case ARG_INT:
581	+	if (val && !(stop_char && *stop_char == '\0')) {
582	+	fprintf(stderr, "%s: invalid numeric value: %s\n", package_name, val);
583	+	return 1; /* failure */
584	+	}
585	+	break;
586	+	default:
587	+	;
588	+	};
589	+
590	+	/* store the original value */
591	+	switch(arg_type) {
592	+	case ARG_NO:
593	+	break;
594	+	default:
595	+	if (value && orig_field) {
596	+	if (no_free) {
597	+	*orig_field = value;
598	+	} else {
599	+	if (*orig_field)
600	+	free (*orig_field); /* free previous string */
601	+	*orig_field = gengetopt_strdup (value);
602	+	}
603	+	}
604	+	};
605	+
606	+	return 0; /* OK */
607		}
608
609	+
610		int
611	<	cmdline_parser_internal (int argc, char * const *argv, struct gengetopt_args_info *args_info, int override, int initialize, int check_required, const char *additional_error)
611	>	cmdline_parser_internal (
612	>	int argc, char **argv, struct gengetopt_args_info *args_info,
613	>	struct cmdline_parser_params *params, const char *additional_error)
614		{
615		int c;        /* Character of the parsed option.  */
616
617		int error = 0;
618		struct gengetopt_args_info local_args_info;
619	+
620	+	int override;
621	+	int initialize;
622	+	int check_required;
623	+	int check_ambiguity;
624	+
625	+	package_name = argv[0];
626	+
627	+	override = params->override;
628	+	initialize = params->initialize;
629	+	check_required = params->check_required;
630	+	check_ambiguity = params->check_ambiguity;
631
632		if (initialize)
633		cmdline_parser_init (args_info);
#	Line 365 | Line 636 | cmdline_parser_internal (int argc, char * const *argv,
636
637		optarg = 0;
638		optind = 0;
639	<	opterr = 1;
639	>	opterr = params->print_errors;
640		optopt = '?';
641
642		while (1)
643		{
644		int option_index = 0;
374	–	char *stop_char;
645
646		static struct option long_options[] = {
647		{ "help",       0, NULL, 'h' },
#	Line 381 | Line 651 | cmdline_parser_internal (int argc, char * const *argv,
651		{ "sele1",      1, NULL, 0 },
652		{ "sele2",      1, NULL, 0 },
653		{ "order",      1, NULL, 0 },
654	+	{ "nzbins",     1, NULL, 'z' },
655	+	{ "memory",     1, NULL, 'm' },
656	+	{ "selecorr",   0, NULL, 's' },
657		{ "rcorr",      0, NULL, 'r' },
658		{ "vcorr",      0, NULL, 'v' },
659		{ "dcorr",      0, NULL, 'd' },
660		{ "lcorr",      0, NULL, 'l' },
661	+	{ "lcorrZ",     0, NULL, 0 },
662	+	{ "cohZ",       0, NULL, 0 },
663	+	{ "sdcorr",     0, NULL, 'M' },
664		{ "r_rcorr",    0, NULL, 0 },
665		{ "thetacorr",  0, NULL, 0 },
390	–	{ "actioncorr", 0, NULL, 0 },
666		{ "drcorr",     0, NULL, 0 },
667	<	{ NULL, 0, NULL, 0 }
667	>	{ "helfandEcorr",       0, NULL, 0 },
668	>	{ "momentum",   0, NULL, 'p' },
669	>	{ "stresscorr", 0, NULL, 0 },
670	>	{ 0,  0, 0, 0 }
671		};
672
673	<	stop_char = 0;
396	<	c = getopt_long (argc, argv, "hVi:o:rvdl", long_options, &option_index);
673	>	c = getopt_long (argc, argv, "hVi:o:z:m:srvdlMp", long_options, &option_index);
674
675		if (c == -1) break;       /* Exit from `while (1)' loop.  */
676
#	Line 410 | Line 687 | cmdline_parser_internal (int argc, char * const *argv,
687		exit (EXIT_SUCCESS);
688
689		case 'i':       /* input dump file.  */
690	<	if (local_args_info.input_given)
691	<	{
692	<	fprintf (stderr, "%s: `--input' (`-i') option given more than once%s\n", argv[0], (additional_error ? additional_error : ""));
693	<	goto failure;
694	<	}
695	<	if (args_info->input_given && ! override)
696	<	continue;
697	<	local_args_info.input_given = 1;
698	<	args_info->input_given = 1;
699	<	if (args_info->input_arg)
423	<	free (args_info->input_arg); /* free previous string */
424	<	args_info->input_arg = gengetopt_strdup (optarg);
425	<	if (args_info->input_orig)
426	<	free (args_info->input_orig); /* free previous string */
427	<	args_info->input_orig = gengetopt_strdup (optarg);
690	>
691	>
692	>	if (update_arg( (void *)&(args_info->input_arg),
693	>	&(args_info->input_orig), &(args_info->input_given),
694	>	&(local_args_info.input_given), optarg, 0, 0, ARG_STRING,
695	>	check_ambiguity, override, 0, 0,
696	>	"input", 'i',
697	>	additional_error))
698	>	goto failure;
699	>
700		break;
429	–
701		case 'o':       /* output file name.  */
702	<	if (local_args_info.output_given)
703	<	{
704	<	fprintf (stderr, "%s: `--output' (`-o') option given more than once%s\n", argv[0], (additional_error ? additional_error : ""));
705	<	goto failure;
706	<	}
707	<	if (args_info->output_given && ! override)
708	<	continue;
709	<	local_args_info.output_given = 1;
710	<	args_info->output_given = 1;
711	<	if (args_info->output_arg)
441	<	free (args_info->output_arg); /* free previous string */
442	<	args_info->output_arg = gengetopt_strdup (optarg);
443	<	if (args_info->output_orig)
444	<	free (args_info->output_orig); /* free previous string */
445	<	args_info->output_orig = gengetopt_strdup (optarg);
702	>
703	>
704	>	if (update_arg( (void *)&(args_info->output_arg),
705	>	&(args_info->output_orig), &(args_info->output_given),
706	>	&(local_args_info.output_given), optarg, 0, 0, ARG_STRING,
707	>	check_ambiguity, override, 0, 0,
708	>	"output", 'o',
709	>	additional_error))
710	>	goto failure;
711	>
712		break;
713	<
713	>	case 'z':       /* Number of Z bins.  */
714	>
715	>
716	>	if (update_arg( (void *)&(args_info->nzbins_arg),
717	>	&(args_info->nzbins_orig), &(args_info->nzbins_given),
718	>	&(local_args_info.nzbins_given), optarg, 0, "100", ARG_INT,
719	>	check_ambiguity, override, 0, 0,
720	>	"nzbins", 'z',
721	>	additional_error))
722	>	goto failure;
723	>
724	>	break;
725	>	case 'm':       /* Available memory (defaults to 2G).  */
726	>
727	>
728	>	if (update_arg( (void *)&(args_info->memory_arg),
729	>	&(args_info->memory_orig), &(args_info->memory_given),
730	>	&(local_args_info.memory_given), optarg, 0, "2G", ARG_STRING,
731	>	check_ambiguity, override, 0, 0,
732	>	"memory", 'm',
733	>	additional_error))
734	>	goto failure;
735	>
736	>	break;
737	>	case 's':       /* selection correlation function.  */
738	>
739	>	if (args_info->dynamicProps_group_counter && override)
740	>	reset_group_dynamicProps (args_info);
741	>	args_info->dynamicProps_group_counter += 1;
742	>
743	>	if (update_arg( 0 ,
744	>	0 , &(args_info->selecorr_given),
745	>	&(local_args_info.selecorr_given), optarg, 0, 0, ARG_NO,
746	>	check_ambiguity, override, 0, 0,
747	>	"selecorr", 's',
748	>	additional_error))
749	>	goto failure;
750	>
751	>	break;
752		case 'r':       /* rmsd.  */
753	<	if (local_args_info.rcorr_given)
450	<	{
451	<	fprintf (stderr, "%s: `--rcorr' (`-r') option given more than once%s\n", argv[0], (additional_error ? additional_error : ""));
452	<	goto failure;
453	<	}
454	<	if (args_info->rcorr_given && ! override)
455	<	continue;
456	<	local_args_info.rcorr_given = 1;
457	<	args_info->rcorr_given = 1;
753	>
754		if (args_info->dynamicProps_group_counter && override)
755		reset_group_dynamicProps (args_info);
756		args_info->dynamicProps_group_counter += 1;
757	+
758	+	if (update_arg( 0 ,
759	+	0 , &(args_info->rcorr_given),
760	+	&(local_args_info.rcorr_given), optarg, 0, 0, ARG_NO,
761	+	check_ambiguity, override, 0, 0,
762	+	"rcorr", 'r',
763	+	additional_error))
764	+	goto failure;
765	+
766		break;
462	–
767		case 'v':       /* velocity correlation function.  */
768	<	if (local_args_info.vcorr_given)
465	<	{
466	<	fprintf (stderr, "%s: `--vcorr' (`-v') option given more than once%s\n", argv[0], (additional_error ? additional_error : ""));
467	<	goto failure;
468	<	}
469	<	if (args_info->vcorr_given && ! override)
470	<	continue;
471	<	local_args_info.vcorr_given = 1;
472	<	args_info->vcorr_given = 1;
768	>
769		if (args_info->dynamicProps_group_counter && override)
770		reset_group_dynamicProps (args_info);
771		args_info->dynamicProps_group_counter += 1;
772	+
773	+	if (update_arg( 0 ,
774	+	0 , &(args_info->vcorr_given),
775	+	&(local_args_info.vcorr_given), optarg, 0, 0, ARG_NO,
776	+	check_ambiguity, override, 0, 0,
777	+	"vcorr", 'v',
778	+	additional_error))
779	+	goto failure;
780	+
781		break;
477	–
782		case 'd':       /* dipole correlation function.  */
783	<	if (local_args_info.dcorr_given)
480	<	{
481	<	fprintf (stderr, "%s: `--dcorr' (`-d') option given more than once%s\n", argv[0], (additional_error ? additional_error : ""));
482	<	goto failure;
483	<	}
484	<	if (args_info->dcorr_given && ! override)
485	<	continue;
486	<	local_args_info.dcorr_given = 1;
487	<	args_info->dcorr_given = 1;
783	>
784		if (args_info->dynamicProps_group_counter && override)
785		reset_group_dynamicProps (args_info);
786		args_info->dynamicProps_group_counter += 1;
787	+
788	+	if (update_arg( 0 ,
789	+	0 , &(args_info->dcorr_given),
790	+	&(local_args_info.dcorr_given), optarg, 0, 0, ARG_NO,
791	+	check_ambiguity, override, 0, 0,
792	+	"dcorr", 'd',
793	+	additional_error))
794	+	goto failure;
795	+
796		break;
492	–
797		case 'l':       /* Lengendre correlation function.  */
798	<	if (local_args_info.lcorr_given)
495	<	{
496	<	fprintf (stderr, "%s: `--lcorr' (`-l') option given more than once%s\n", argv[0], (additional_error ? additional_error : ""));
497	<	goto failure;
498	<	}
499	<	if (args_info->lcorr_given && ! override)
500	<	continue;
501	<	local_args_info.lcorr_given = 1;
502	<	args_info->lcorr_given = 1;
798	>
799		if (args_info->dynamicProps_group_counter && override)
800		reset_group_dynamicProps (args_info);
801		args_info->dynamicProps_group_counter += 1;
802	+
803	+	if (update_arg( 0 ,
804	+	0 , &(args_info->lcorr_given),
805	+	&(local_args_info.lcorr_given), optarg, 0, 0, ARG_NO,
806	+	check_ambiguity, override, 0, 0,
807	+	"lcorr", 'l',
808	+	additional_error))
809	+	goto failure;
810	+
811		break;
812	<
812	>	case 'M':       /* System dipole correlation function.  */
813	>
814	>	if (args_info->dynamicProps_group_counter && override)
815	>	reset_group_dynamicProps (args_info);
816	>	args_info->dynamicProps_group_counter += 1;
817	>
818	>	if (update_arg( 0 ,
819	>	0 , &(args_info->sdcorr_given),
820	>	&(local_args_info.sdcorr_given), optarg, 0, 0, ARG_NO,
821	>	check_ambiguity, override, 0, 0,
822	>	"sdcorr", 'M',
823	>	additional_error))
824	>	goto failure;
825	>
826	>	break;
827	>	case 'p':       /* Helfand momentum for viscosity.  */
828	>
829	>	if (args_info->dynamicProps_group_counter && override)
830	>	reset_group_dynamicProps (args_info);
831	>	args_info->dynamicProps_group_counter += 1;
832	>
833	>	if (update_arg( 0 ,
834	>	0 , &(args_info->momentum_given),
835	>	&(local_args_info.momentum_given), optarg, 0, 0, ARG_NO,
836	>	check_ambiguity, override, 0, 0,
837	>	"momentum", 'p',
838	>	additional_error))
839	>	goto failure;
840	>
841	>	break;
842
843		case 0: /* Long option with no short option */
844		/* select first stuntdouble set.  */
845		if (strcmp (long_options[option_index].name, "sele1") == 0)
846		{
847	<	if (local_args_info.sele1_given)
848	<	{
849	<	fprintf (stderr, "%s: `--sele1' option given more than once%s\n", argv[0], (additional_error ? additional_error : ""));
850	<	goto failure;
851	<	}
852	<	if (args_info->sele1_given && ! override)
853	<	continue;
854	<	local_args_info.sele1_given = 1;
855	<	args_info->sele1_given = 1;
856	<	if (args_info->sele1_arg)
523	<	free (args_info->sele1_arg); /* free previous string */
524	<	args_info->sele1_arg = gengetopt_strdup (optarg);
525	<	if (args_info->sele1_orig)
526	<	free (args_info->sele1_orig); /* free previous string */
527	<	args_info->sele1_orig = gengetopt_strdup (optarg);
847	>
848	>
849	>	if (update_arg( (void *)&(args_info->sele1_arg),
850	>	&(args_info->sele1_orig), &(args_info->sele1_given),
851	>	&(local_args_info.sele1_given), optarg, 0, 0, ARG_STRING,
852	>	check_ambiguity, override, 0, 0,
853	>	"sele1", '-',
854	>	additional_error))
855	>	goto failure;
856	>
857		}
858		/* select second stuntdouble set (if sele2 is not set, use script from sele1).  */
859		else if (strcmp (long_options[option_index].name, "sele2") == 0)
860		{
861	<	if (local_args_info.sele2_given)
862	<	{
863	<	fprintf (stderr, "%s: `--sele2' option given more than once%s\n", argv[0], (additional_error ? additional_error : ""));
864	<	goto failure;
865	<	}
866	<	if (args_info->sele2_given && ! override)
867	<	continue;
868	<	local_args_info.sele2_given = 1;
869	<	args_info->sele2_given = 1;
870	<	if (args_info->sele2_arg)
542	<	free (args_info->sele2_arg); /* free previous string */
543	<	args_info->sele2_arg = gengetopt_strdup (optarg);
544	<	if (args_info->sele2_orig)
545	<	free (args_info->sele2_orig); /* free previous string */
546	<	args_info->sele2_orig = gengetopt_strdup (optarg);
861	>
862	>
863	>	if (update_arg( (void *)&(args_info->sele2_arg),
864	>	&(args_info->sele2_orig), &(args_info->sele2_given),
865	>	&(local_args_info.sele2_given), optarg, 0, 0, ARG_STRING,
866	>	check_ambiguity, override, 0, 0,
867	>	"sele2", '-',
868	>	additional_error))
869	>	goto failure;
870	>
871		}
872		/* Lengendre Polynomial Order.  */
873		else if (strcmp (long_options[option_index].name, "order") == 0)
874		{
875	<	if (local_args_info.order_given)
876	<	{
877	<	fprintf (stderr, "%s: `--order' option given more than once%s\n", argv[0], (additional_error ? additional_error : ""));
878	<	goto failure;
879	<	}
880	<	if (args_info->order_given && ! override)
881	<	continue;
882	<	local_args_info.order_given = 1;
559	<	args_info->order_given = 1;
560	<	args_info->order_arg = strtol (optarg, &stop_char, 0);
561	<	if (!(stop_char && *stop_char == '\0')) {
562	<	fprintf(stderr, "%s: invalid numeric value: %s\n", argv[0], optarg);
875	>
876	>
877	>	if (update_arg( (void *)&(args_info->order_arg),
878	>	&(args_info->order_orig), &(args_info->order_given),
879	>	&(local_args_info.order_given), optarg, 0, 0, ARG_INT,
880	>	check_ambiguity, override, 0, 0,
881	>	"order", '-',
882	>	additional_error))
883		goto failure;
884	<	}
565	<	if (args_info->order_orig)
566	<	free (args_info->order_orig); /* free previous string */
567	<	args_info->order_orig = gengetopt_strdup (optarg);
884	>
885		}
886	+	/* Lengendre correlation function binned by Z.  */
887	+	else if (strcmp (long_options[option_index].name, "lcorrZ") == 0)
888	+	{
889	+
890	+	if (args_info->dynamicProps_group_counter && override)
891	+	reset_group_dynamicProps (args_info);
892	+	args_info->dynamicProps_group_counter += 1;
893	+
894	+	if (update_arg( 0 ,
895	+	0 , &(args_info->lcorrZ_given),
896	+	&(local_args_info.lcorrZ_given), optarg, 0, 0, ARG_NO,
897	+	check_ambiguity, override, 0, 0,
898	+	"lcorrZ", '-',
899	+	additional_error))
900	+	goto failure;
901	+
902	+	}
903	+	/* Lengendre correlation function for OH bond vectors binned by Z.  */
904	+	else if (strcmp (long_options[option_index].name, "cohZ") == 0)
905	+	{
906	+
907	+	if (args_info->dynamicProps_group_counter && override)
908	+	reset_group_dynamicProps (args_info);
909	+	args_info->dynamicProps_group_counter += 1;
910	+
911	+	if (update_arg( 0 ,
912	+	0 , &(args_info->cohZ_given),
913	+	&(local_args_info.cohZ_given), optarg, 0, 0, ARG_NO,
914	+	check_ambiguity, override, 0, 0,
915	+	"cohZ", '-',
916	+	additional_error))
917	+	goto failure;
918	+
919	+	}
920		/* Radial rmsd.  */
921		else if (strcmp (long_options[option_index].name, "r_rcorr") == 0)
922		{
923	<	if (local_args_info.r_rcorr_given)
573	<	{
574	<	fprintf (stderr, "%s: `--r_rcorr' option given more than once%s\n", argv[0], (additional_error ? additional_error : ""));
575	<	goto failure;
576	<	}
577	<	if (args_info->r_rcorr_given && ! override)
578	<	continue;
579	<	local_args_info.r_rcorr_given = 1;
580	<	args_info->r_rcorr_given = 1;
923	>
924		if (args_info->dynamicProps_group_counter && override)
925		reset_group_dynamicProps (args_info);
926		args_info->dynamicProps_group_counter += 1;
927	<	break;
927	>
928	>	if (update_arg( 0 ,
929	>	0 , &(args_info->r_rcorr_given),
930	>	&(local_args_info.r_rcorr_given), optarg, 0, 0, ARG_NO,
931	>	check_ambiguity, override, 0, 0,
932	>	"r_rcorr", '-',
933	>	additional_error))
934	>	goto failure;
935	>
936		}
937		/* Angular rmsd.  */
938		else if (strcmp (long_options[option_index].name, "thetacorr") == 0)
939		{
940	<	if (local_args_info.thetacorr_given)
590	<	{
591	<	fprintf (stderr, "%s: `--thetacorr' option given more than once%s\n", argv[0], (additional_error ? additional_error : ""));
592	<	goto failure;
593	<	}
594	<	if (args_info->thetacorr_given && ! override)
595	<	continue;
596	<	local_args_info.thetacorr_given = 1;
597	<	args_info->thetacorr_given = 1;
940	>
941		if (args_info->dynamicProps_group_counter && override)
942		reset_group_dynamicProps (args_info);
943		args_info->dynamicProps_group_counter += 1;
944	<	break;
944	>
945	>	if (update_arg( 0 ,
946	>	0 , &(args_info->thetacorr_given),
947	>	&(local_args_info.thetacorr_given), optarg, 0, 0, ARG_NO,
948	>	check_ambiguity, override, 0, 0,
949	>	"thetacorr", '-',
950	>	additional_error))
951	>	goto failure;
952	>
953		}
954	<	/* Action correlation function.  */
955	<	else if (strcmp (long_options[option_index].name, "actioncorr") == 0)
954	>	/* Directional rmsd for particles with unit vectors.  */
955	>	else if (strcmp (long_options[option_index].name, "drcorr") == 0)
956		{
957	<	if (local_args_info.actioncorr_given)
607	<	{
608	<	fprintf (stderr, "%s: `--actioncorr' option given more than once%s\n", argv[0], (additional_error ? additional_error : ""));
609	<	goto failure;
610	<	}
611	<	if (args_info->actioncorr_given && ! override)
612	<	continue;
613	<	local_args_info.actioncorr_given = 1;
614	<	args_info->actioncorr_given = 1;
957	>
958		if (args_info->dynamicProps_group_counter && override)
959		reset_group_dynamicProps (args_info);
960		args_info->dynamicProps_group_counter += 1;
961	<	break;
961	>
962	>	if (update_arg( 0 ,
963	>	0 , &(args_info->drcorr_given),
964	>	&(local_args_info.drcorr_given), optarg, 0, 0, ARG_NO,
965	>	check_ambiguity, override, 0, 0,
966	>	"drcorr", '-',
967	>	additional_error))
968	>	goto failure;
969	>
970		}
971	<	/* Directional rmsd for particles with unit vectors.  */
972	<	else if (strcmp (long_options[option_index].name, "drcorr") == 0)
971	>	/* Helfand moment for thermal conductvity.  */
972	>	else if (strcmp (long_options[option_index].name, "helfandEcorr") == 0)
973		{
974	<	if (local_args_info.drcorr_given)
624	<	{
625	<	fprintf (stderr, "%s: `--drcorr' option given more than once%s\n", argv[0], (additional_error ? additional_error : ""));
626	<	goto failure;
627	<	}
628	<	if (args_info->drcorr_given && ! override)
629	<	continue;
630	<	local_args_info.drcorr_given = 1;
631	<	args_info->drcorr_given = 1;
974	>
975		if (args_info->dynamicProps_group_counter && override)
976		reset_group_dynamicProps (args_info);
977		args_info->dynamicProps_group_counter += 1;
978	<	break;
978	>
979	>	if (update_arg( 0 ,
980	>	0 , &(args_info->helfandEcorr_given),
981	>	&(local_args_info.helfandEcorr_given), optarg, 0, 0, ARG_NO,
982	>	check_ambiguity, override, 0, 0,
983	>	"helfandEcorr", '-',
984	>	additional_error))
985	>	goto failure;
986	>
987		}
988	+	/* Stress tensor correlation function.  */
989	+	else if (strcmp (long_options[option_index].name, "stresscorr") == 0)
990	+	{
991
992	+	if (args_info->dynamicProps_group_counter && override)
993	+	reset_group_dynamicProps (args_info);
994	+	args_info->dynamicProps_group_counter += 1;
995	+
996	+	if (update_arg( 0 ,
997	+	0 , &(args_info->stresscorr_given),
998	+	&(local_args_info.stresscorr_given), optarg, 0, 0, ARG_NO,
999	+	check_ambiguity, override, 0, 0,
1000	+	"stresscorr", '-',
1001	+	additional_error))
1002	+	goto failure;
1003	+
1004	+	}
1005	+
1006		break;
1007		case '?':       /* Invalid option.  */
1008		/* `getopt_long' already printed an error message.  */
#	Line 648 | Line 1016 | cmdline_parser_internal (int argc, char * const *argv,
1016
1017		if (args_info->dynamicProps_group_counter > 1)
1018		{
1019	<	fprintf (stderr, "%s: %d options of group dynamicProps were given. One is required.%s\n", argv[0], args_info->dynamicProps_group_counter, (additional_error ? additional_error : ""));
1019	>	fprintf (stderr, "%s: %d options of group dynamicProps were given. One is required%s.\n", argv[0], args_info->dynamicProps_group_counter, (additional_error ? additional_error : ""));
1020		error = 1;
1021		}
1022
#	Line 664 | Line 1032 | cmdline_parser_internal (int argc, char * const *argv,
1032		if ( error )
1033		return (EXIT_FAILURE);
1034
1035	+	if (optind < argc)
1036	+	{
1037	+	int i = 0 ;
1038	+	int found_prog_name = 0;
1039	+	/* whether program name, i.e., argv[0], is in the remaining args
1040	+	(this may happen with some implementations of getopt,
1041	+	but surely not with the one included by gengetopt) */
1042	+
1043	+	i = optind;
1044	+	while (i < argc)
1045	+	if (argv[i++] == argv[0]) {
1046	+	found_prog_name = 1;
1047	+	break;
1048	+	}
1049	+	i = 0;
1050	+
1051	+	args_info->inputs_num = argc - optind - found_prog_name;
1052	+	args_info->inputs =
1053	+	(char **)(malloc ((args_info->inputs_num)*sizeof(char *))) ;
1054	+	while (optind < argc)
1055	+	if (argv[optind++] != argv[0])
1056	+	args_info->inputs[ i++ ] = gengetopt_strdup (argv[optind-1]) ;
1057	+	}
1058	+
1059		return 0;
1060
1061		failure:

Comparing:
trunk/src/applications/dynamicProps/DynamicPropsCmd.c (property svn:keywords), Revision 1183 by xsun, Tue Oct 2 12:05:25 2007 UTC vs.
trunk/src/applications/dynamicProps/DynamicPropsCmd.cpp (property svn:keywords), Revision 1939 by gezelter, Thu Oct 31 18:18:57 2013 UTC

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

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