ViewVC Help

View File | Revision Log | Show Annotations | View Changeset | Root Listing

root/OpenMD/trunk/src/applications/staticProps/StaticPropsCmd.c

Comparing trunk/src/applications/staticProps/StaticPropsCmd.c (file contents):
Revision 543 by tim, Thu May 26 22:45:00 2005 UTC vs.
Revision 1531 by kstocke1, Wed Dec 29 16:48:19 2010 UTC

#	Line 1 | Line 1
1		/*
2	<	File autogenerated by gengetopt version 2.11
2	>	File autogenerated by gengetopt version 2.22.4
3		generated with the following command:
4	<	/home/maul/gezelter/tim/bin/gengetopt -i StaticProps.ggo -F StaticPropsCmd
4	>	gengetopt -F StaticPropsCmd -u
5
6		The developers of gengetopt consider the fixed text that goes in all
7		gengetopt output files to be in the public domain:
8		we make no copyright claims on it.
9		*/
10
11	+	/* If we use autoconf.  */
12	+	#ifdef HAVE_CONFIG_H
13	+	#include "config.h"
14	+	#endif
15
16		#include <stdio.h>
17		#include <stdlib.h>
18		#include <string.h>
19
20	<	/* If we use autoconf.  */
21	<	#ifdef HAVE_CONFIG_H
18	<	#include "config.h"
20	>	#ifndef FIX_UNUSED
21	>	#define FIX_UNUSED(X) (void) (X) /* avoid warnings for unused params */
22		#endif
23
24	<	#include "getopt.h"
24	>	#include <getopt.h>
25
26		#include "StaticPropsCmd.h"
27
28	+	const char *gengetopt_args_info_purpose = "";
29	+
30	+	const char *gengetopt_args_info_usage = "Usage: StaticProps [OPTIONS]... [FILES]...";
31	+
32	+	const char *gengetopt_args_info_description = "";
33	+
34	+	const char *gengetopt_args_info_help[] = {
35	+	"  -h, --help                    Print help and exit",
36	+	"  -V, --version                 Print version and exit",
37	+	"  -i, --input=filename          input dump file",
38	+	"  -o, --output=filename         output file name",
39	+	"  -n, --step=INT                process every n frame  (default=`1')",
40	+	"  -b, --nbins=INT               number of bins (general purpose)  \n                                  (default=`100')",
41	+	"  -x, --nbins_x=INT             number of bins in x axis  (default=`100')",
42	+	"  -y, --nbins_y=INT             number of bins in y axis  (default=`100')",
43	+	"      --nbins_z=INT             number of bins in z axis  (default=`100')",
44	+	"  -a, --nanglebins=INT          number of bins for cos(angle)  (default=`50')",
45	+	"  -c, --rcut=DOUBLE             cutoff radius (rcut)",
46	+	"      --dz=DOUBLE               slab width (dz)",
47	+	"      --length=DOUBLE           maximum length (Defaults to 1/2 smallest length \n                                  of first frame)",
48	+	"      --zlength=DOUBLE          maximum length (Defaults to 1/2 smallest length \n                                  of first frame)",
49	+	"  -z, --zoffset=DOUBLE          Where to set the zero for the slab_density \n                                  calculation  (default=`0')",
50	+	"      --sele1=selection script  select the first stuntdouble set",
51	+	"      --sele2=selection script  select the second stuntdouble set",
52	+	"      --sele3=selection script  select the third stuntdouble set",
53	+	"      --refsele=selection script\n                                select reference (use and only use with --gxyz)",
54	+	"      --comsele=selection script\n                                select stunt doubles for center-of-mass \n                                  reference point",
55	+	"      --molname=STRING          molecule name",
56	+	"      --begin=INT               begin internal index",
57	+	"      --end=INT                 end internal index",
58	+	"      --radius=DOUBLE           nanoparticle radius",
59	+	"\n Group: staticProps\n   an option of this group is required",
60	+	"      --bo                      bond order parameter (--rcut must be specified)",
61	+	"      --bor                     bond order parameter as a function of radius \n                                  (--rcut must be specified)",
62	+	"      --bad                     N(theta) bond angle density within (--rcut must \n                                  be specified)",
63	+	"      --count                   count of molecules matching selection criteria \n                                  (and associated statistics)",
64	+	"  -g, --gofr                    g(r)",
65	+	"      --gofz                    g(z)",
66	+	"      --r_theta                 g(r, cos(theta))",
67	+	"      --r_omega                 g(r, cos(omega))",
68	+	"      --r_z                     g(r, z)",
69	+	"      --theta_omega             g(cos(theta), cos(omega))",
70	+	"      --gxyz                    g(x, y, z)",
71	+	"      --twodgofr                2D g(r) (Slab width --dz must be specified)",
72	+	"  -p, --p2                      p2 order parameter (--sele1 and --sele2 must be \n                                  specified)",
73	+	"      --rp2                     rp2 order parameter (--sele1 and --sele2 must \n                                  be specified)",
74	+	"  -s, --scd                     scd order parameter (either --sele1, --sele2, \n                                  --sele3 are specified or --molname, --begin, \n                                  --end are specified)",
75	+	"  -d, --density                 density plot",
76	+	"      --slab_density            slab density",
77	+	"      --p_angle                 p(cos(theta))",
78	+	"      --hxy                     hxy",
79	+	"      --rho_r                   rho of R",
80	+	"      --angle_r                 angle of R",
81	+	"      --hullvol                 hull volume of nanoparticle",
82	+	"  -Q, --tet_param               tetrahedrality order parameter",
83	+	0
84	+	};
85	+
86	+	typedef enum {ARG_NO
87	+	, ARG_STRING
88	+	, ARG_INT
89	+	, ARG_DOUBLE
90	+	} cmdline_parser_arg_type;
91	+
92	+	static
93	+	void clear_given (struct gengetopt_args_info *args_info);
94	+	static
95	+	void clear_args (struct gengetopt_args_info *args_info);
96	+
97	+	static int
98	+	cmdline_parser_internal (int argc, char **argv, struct gengetopt_args_info *args_info,
99	+	struct cmdline_parser_params *params, const char *additional_error);
100	+
101	+	static int
102	+	cmdline_parser_required2 (struct gengetopt_args_info *args_info, const char *prog_name, const char *additional_error);
103	+
104	+	static char *
105	+	gengetopt_strdup (const char *s);
106	+
107	+	static
108	+	void clear_given (struct gengetopt_args_info *args_info)
109	+	{
110	+	args_info->help_given = 0 ;
111	+	args_info->version_given = 0 ;
112	+	args_info->input_given = 0 ;
113	+	args_info->output_given = 0 ;
114	+	args_info->step_given = 0 ;
115	+	args_info->nbins_given = 0 ;
116	+	args_info->nbins_x_given = 0 ;
117	+	args_info->nbins_y_given = 0 ;
118	+	args_info->nbins_z_given = 0 ;
119	+	args_info->nanglebins_given = 0 ;
120	+	args_info->rcut_given = 0 ;
121	+	args_info->dz_given = 0 ;
122	+	args_info->length_given = 0 ;
123	+	args_info->zlength_given = 0 ;
124	+	args_info->zoffset_given = 0 ;
125	+	args_info->sele1_given = 0 ;
126	+	args_info->sele2_given = 0 ;
127	+	args_info->sele3_given = 0 ;
128	+	args_info->refsele_given = 0 ;
129	+	args_info->comsele_given = 0 ;
130	+	args_info->molname_given = 0 ;
131	+	args_info->begin_given = 0 ;
132	+	args_info->end_given = 0 ;
133	+	args_info->radius_given = 0 ;
134	+	args_info->bo_given = 0 ;
135	+	args_info->bor_given = 0 ;
136	+	args_info->bad_given = 0 ;
137	+	args_info->count_given = 0 ;
138	+	args_info->gofr_given = 0 ;
139	+	args_info->gofz_given = 0 ;
140	+	args_info->r_theta_given = 0 ;
141	+	args_info->r_omega_given = 0 ;
142	+	args_info->r_z_given = 0 ;
143	+	args_info->theta_omega_given = 0 ;
144	+	args_info->gxyz_given = 0 ;
145	+	args_info->twodgofr_given = 0 ;
146	+	args_info->p2_given = 0 ;
147	+	args_info->rp2_given = 0 ;
148	+	args_info->scd_given = 0 ;
149	+	args_info->density_given = 0 ;
150	+	args_info->slab_density_given = 0 ;
151	+	args_info->p_angle_given = 0 ;
152	+	args_info->hxy_given = 0 ;
153	+	args_info->rho_r_given = 0 ;
154	+	args_info->angle_r_given = 0 ;
155	+	args_info->hullvol_given = 0 ;
156	+	args_info->tet_param_given = 0 ;
157	+	args_info->staticProps_group_counter = 0 ;
158	+	}
159	+
160	+	static
161	+	void clear_args (struct gengetopt_args_info *args_info)
162	+	{
163	+	FIX_UNUSED (args_info);
164	+	args_info->input_arg = NULL;
165	+	args_info->input_orig = NULL;
166	+	args_info->output_arg = NULL;
167	+	args_info->output_orig = NULL;
168	+	args_info->step_arg = 1;
169	+	args_info->step_orig = NULL;
170	+	args_info->nbins_arg = 100;
171	+	args_info->nbins_orig = NULL;
172	+	args_info->nbins_x_arg = 100;
173	+	args_info->nbins_x_orig = NULL;
174	+	args_info->nbins_y_arg = 100;
175	+	args_info->nbins_y_orig = NULL;
176	+	args_info->nbins_z_arg = 100;
177	+	args_info->nbins_z_orig = NULL;
178	+	args_info->nanglebins_arg = 50;
179	+	args_info->nanglebins_orig = NULL;
180	+	args_info->rcut_orig = NULL;
181	+	args_info->dz_orig = NULL;
182	+	args_info->length_orig = NULL;
183	+	args_info->zlength_orig = NULL;
184	+	args_info->zoffset_arg = 0;
185	+	args_info->zoffset_orig = NULL;
186	+	args_info->sele1_arg = NULL;
187	+	args_info->sele1_orig = NULL;
188	+	args_info->sele2_arg = NULL;
189	+	args_info->sele2_orig = NULL;
190	+	args_info->sele3_arg = NULL;
191	+	args_info->sele3_orig = NULL;
192	+	args_info->refsele_arg = NULL;
193	+	args_info->refsele_orig = NULL;
194	+	args_info->comsele_arg = NULL;
195	+	args_info->comsele_orig = NULL;
196	+	args_info->molname_arg = NULL;
197	+	args_info->molname_orig = NULL;
198	+	args_info->begin_orig = NULL;
199	+	args_info->end_orig = NULL;
200	+	args_info->radius_orig = NULL;
201	+
202	+	}
203	+
204	+	static
205	+	void init_args_info(struct gengetopt_args_info *args_info)
206	+	{
207	+
208	+
209	+	args_info->help_help = gengetopt_args_info_help[0] ;
210	+	args_info->version_help = gengetopt_args_info_help[1] ;
211	+	args_info->input_help = gengetopt_args_info_help[2] ;
212	+	args_info->output_help = gengetopt_args_info_help[3] ;
213	+	args_info->step_help = gengetopt_args_info_help[4] ;
214	+	args_info->nbins_help = gengetopt_args_info_help[5] ;
215	+	args_info->nbins_x_help = gengetopt_args_info_help[6] ;
216	+	args_info->nbins_y_help = gengetopt_args_info_help[7] ;
217	+	args_info->nbins_z_help = gengetopt_args_info_help[8] ;
218	+	args_info->nanglebins_help = gengetopt_args_info_help[9] ;
219	+	args_info->rcut_help = gengetopt_args_info_help[10] ;
220	+	args_info->dz_help = gengetopt_args_info_help[11] ;
221	+	args_info->length_help = gengetopt_args_info_help[12] ;
222	+	args_info->zlength_help = gengetopt_args_info_help[13] ;
223	+	args_info->zoffset_help = gengetopt_args_info_help[14] ;
224	+	args_info->sele1_help = gengetopt_args_info_help[15] ;
225	+	args_info->sele2_help = gengetopt_args_info_help[16] ;
226	+	args_info->sele3_help = gengetopt_args_info_help[17] ;
227	+	args_info->refsele_help = gengetopt_args_info_help[18] ;
228	+	args_info->comsele_help = gengetopt_args_info_help[19] ;
229	+	args_info->molname_help = gengetopt_args_info_help[20] ;
230	+	args_info->begin_help = gengetopt_args_info_help[21] ;
231	+	args_info->end_help = gengetopt_args_info_help[22] ;
232	+	args_info->radius_help = gengetopt_args_info_help[23] ;
233	+	args_info->bo_help = gengetopt_args_info_help[25] ;
234	+	args_info->bor_help = gengetopt_args_info_help[26] ;
235	+	args_info->bad_help = gengetopt_args_info_help[27] ;
236	+	args_info->count_help = gengetopt_args_info_help[28] ;
237	+	args_info->gofr_help = gengetopt_args_info_help[29] ;
238	+	args_info->gofz_help = gengetopt_args_info_help[30] ;
239	+	args_info->r_theta_help = gengetopt_args_info_help[31] ;
240	+	args_info->r_omega_help = gengetopt_args_info_help[32] ;
241	+	args_info->r_z_help = gengetopt_args_info_help[33] ;
242	+	args_info->theta_omega_help = gengetopt_args_info_help[34] ;
243	+	args_info->gxyz_help = gengetopt_args_info_help[35] ;
244	+	args_info->twodgofr_help = gengetopt_args_info_help[36] ;
245	+	args_info->p2_help = gengetopt_args_info_help[37] ;
246	+	args_info->rp2_help = gengetopt_args_info_help[38] ;
247	+	args_info->scd_help = gengetopt_args_info_help[39] ;
248	+	args_info->density_help = gengetopt_args_info_help[40] ;
249	+	args_info->slab_density_help = gengetopt_args_info_help[41] ;
250	+	args_info->p_angle_help = gengetopt_args_info_help[42] ;
251	+	args_info->hxy_help = gengetopt_args_info_help[43] ;
252	+	args_info->rho_r_help = gengetopt_args_info_help[44] ;
253	+	args_info->angle_r_help = gengetopt_args_info_help[45] ;
254	+	args_info->hullvol_help = gengetopt_args_info_help[46] ;
255	+	args_info->tet_param_help = gengetopt_args_info_help[47] ;
256	+
257	+	}
258	+
259		void
260		cmdline_parser_print_version (void)
261		{
262	<	printf ("%s %s\n", CMDLINE_PARSER_PACKAGE, CMDLINE_PARSER_VERSION);
262	>	printf ("%s %s\n",
263	>	(strlen(CMDLINE_PARSER_PACKAGE_NAME) ? CMDLINE_PARSER_PACKAGE_NAME : CMDLINE_PARSER_PACKAGE),
264	>	CMDLINE_PARSER_VERSION);
265		}
266
267	+	static void print_help_common(void) {
268	+	cmdline_parser_print_version ();
269	+
270	+	if (strlen(gengetopt_args_info_purpose) > 0)
271	+	printf("\n%s\n", gengetopt_args_info_purpose);
272	+
273	+	if (strlen(gengetopt_args_info_usage) > 0)
274	+	printf("\n%s\n", gengetopt_args_info_usage);
275	+
276	+	printf("\n");
277	+
278	+	if (strlen(gengetopt_args_info_description) > 0)
279	+	printf("%s\n\n", gengetopt_args_info_description);
280	+	}
281	+
282		void
283		cmdline_parser_print_help (void)
284		{
285	<	cmdline_parser_print_version ();
286	<	printf("\n"
287	<	"Usage: %s [OPTIONS]...\n", CMDLINE_PARSER_PACKAGE);
288	<	printf("\n");
38	<	printf("  -h, --help                      Print help and exit\n");
39	<	printf("  -V, --version                   Print version and exit\n");
40	<	printf("  -i, --input=filename            input dump file\n");
41	<	printf("  -o, --output=filename           output file name\n");
42	<	printf("  -n, --step=INT                  process every n frame  (default=`1')\n");
43	<	printf("  -r, --nrbins=INT                number of bins for distance  (default=`100')\n");
44	<	printf("  -a, --nanglebins=INT            number of bins for cos(angle)  (default=\n                                    `50')\n");
45	<	printf("  -l, --length=DOUBLE             maximum length (Defaults to 1/2 smallest \n                                    length of first frame)\n");
46	<	printf("      --sele1=selection script    select first stuntdouble set\n");
47	<	printf("      --sele2=selection script    select second stuntdouble set\n");
48	<	printf("      --refsele=selection script  select reference (use and only use with \n                                    --gxyz)\n");
49	<	printf("\n");
50	<	printf(" Group: staticProps  an option of this group is required\n");
51	<	printf("      --gofr                      g(r)\n");
52	<	printf("      --r_theta                   g(r, cos(theta))\n");
53	<	printf("      --r_omega                   g(r, cos(omega))\n");
54	<	printf("      --theta_omega               g(cos(theta), cos(omega))\n");
55	<	printf("      --gxyz                      g(x, y, z)\n");
56	<	printf("      --p2                        p2 order parameter\n");
285	>	int i = 0;
286	>	print_help_common();
287	>	while (gengetopt_args_info_help[i])
288	>	printf("%s\n", gengetopt_args_info_help[i++]);
289		}
290
291	+	void
292	+	cmdline_parser_init (struct gengetopt_args_info *args_info)
293	+	{
294	+	clear_given (args_info);
295	+	clear_args (args_info);
296	+	init_args_info (args_info);
297
298	<	static char *gengetopt_strdup (const char *s);
298	>	args_info->inputs = 0;
299	>	args_info->inputs_num = 0;
300	>	}
301
302	<	/* gengetopt_strdup() */
303	<	/* strdup.c replacement of strdup, which is not standard */
302	>	void
303	>	cmdline_parser_params_init(struct cmdline_parser_params *params)
304	>	{
305	>	if (params)
306	>	{
307	>	params->override = 0;
308	>	params->initialize = 1;
309	>	params->check_required = 1;
310	>	params->check_ambiguity = 0;
311	>	params->print_errors = 1;
312	>	}
313	>	}
314	>
315	>	struct cmdline_parser_params *
316	>	cmdline_parser_params_create(void)
317	>	{
318	>	struct cmdline_parser_params *params =
319	>	(struct cmdline_parser_params *)malloc(sizeof(struct cmdline_parser_params));
320	>	cmdline_parser_params_init(params);
321	>	return params;
322	>	}
323	>
324	>	static void
325	>	free_string_field (char **s)
326	>	{
327	>	if (*s)
328	>	{
329	>	free (*s);
330	>	*s = 0;
331	>	}
332	>	}
333	>
334	>
335	>	static void
336	>	cmdline_parser_release (struct gengetopt_args_info *args_info)
337	>	{
338	>	unsigned int i;
339	>	free_string_field (&(args_info->input_arg));
340	>	free_string_field (&(args_info->input_orig));
341	>	free_string_field (&(args_info->output_arg));
342	>	free_string_field (&(args_info->output_orig));
343	>	free_string_field (&(args_info->step_orig));
344	>	free_string_field (&(args_info->nbins_orig));
345	>	free_string_field (&(args_info->nbins_x_orig));
346	>	free_string_field (&(args_info->nbins_y_orig));
347	>	free_string_field (&(args_info->nbins_z_orig));
348	>	free_string_field (&(args_info->nanglebins_orig));
349	>	free_string_field (&(args_info->rcut_orig));
350	>	free_string_field (&(args_info->dz_orig));
351	>	free_string_field (&(args_info->length_orig));
352	>	free_string_field (&(args_info->zlength_orig));
353	>	free_string_field (&(args_info->zoffset_orig));
354	>	free_string_field (&(args_info->sele1_arg));
355	>	free_string_field (&(args_info->sele1_orig));
356	>	free_string_field (&(args_info->sele2_arg));
357	>	free_string_field (&(args_info->sele2_orig));
358	>	free_string_field (&(args_info->sele3_arg));
359	>	free_string_field (&(args_info->sele3_orig));
360	>	free_string_field (&(args_info->refsele_arg));
361	>	free_string_field (&(args_info->refsele_orig));
362	>	free_string_field (&(args_info->comsele_arg));
363	>	free_string_field (&(args_info->comsele_orig));
364	>	free_string_field (&(args_info->molname_arg));
365	>	free_string_field (&(args_info->molname_orig));
366	>	free_string_field (&(args_info->begin_orig));
367	>	free_string_field (&(args_info->end_orig));
368	>	free_string_field (&(args_info->radius_orig));
369	>
370	>
371	>	for (i = 0; i < args_info->inputs_num; ++i)
372	>	free (args_info->inputs [i]);
373	>
374	>	if (args_info->inputs_num)
375	>	free (args_info->inputs);
376	>
377	>	clear_given (args_info);
378	>	}
379	>
380	>
381	>	static void
382	>	write_into_file(FILE *outfile, const char *opt, const char *arg, const char *values[])
383	>	{
384	>	FIX_UNUSED (values);
385	>	if (arg) {
386	>	fprintf(outfile, "%s=\"%s\"\n", opt, arg);
387	>	} else {
388	>	fprintf(outfile, "%s\n", opt);
389	>	}
390	>	}
391	>
392	>
393	>	int
394	>	cmdline_parser_dump(FILE *outfile, struct gengetopt_args_info *args_info)
395	>	{
396	>	int i = 0;
397	>
398	>	if (!outfile)
399	>	{
400	>	fprintf (stderr, "%s: cannot dump options to stream\n", CMDLINE_PARSER_PACKAGE);
401	>	return EXIT_FAILURE;
402	>	}
403	>
404	>	if (args_info->help_given)
405	>	write_into_file(outfile, "help", 0, 0 );
406	>	if (args_info->version_given)
407	>	write_into_file(outfile, "version", 0, 0 );
408	>	if (args_info->input_given)
409	>	write_into_file(outfile, "input", args_info->input_orig, 0);
410	>	if (args_info->output_given)
411	>	write_into_file(outfile, "output", args_info->output_orig, 0);
412	>	if (args_info->step_given)
413	>	write_into_file(outfile, "step", args_info->step_orig, 0);
414	>	if (args_info->nbins_given)
415	>	write_into_file(outfile, "nbins", args_info->nbins_orig, 0);
416	>	if (args_info->nbins_x_given)
417	>	write_into_file(outfile, "nbins_x", args_info->nbins_x_orig, 0);
418	>	if (args_info->nbins_y_given)
419	>	write_into_file(outfile, "nbins_y", args_info->nbins_y_orig, 0);
420	>	if (args_info->nbins_z_given)
421	>	write_into_file(outfile, "nbins_z", args_info->nbins_z_orig, 0);
422	>	if (args_info->nanglebins_given)
423	>	write_into_file(outfile, "nanglebins", args_info->nanglebins_orig, 0);
424	>	if (args_info->rcut_given)
425	>	write_into_file(outfile, "rcut", args_info->rcut_orig, 0);
426	>	if (args_info->dz_given)
427	>	write_into_file(outfile, "dz", args_info->dz_orig, 0);
428	>	if (args_info->length_given)
429	>	write_into_file(outfile, "length", args_info->length_orig, 0);
430	>	if (args_info->zlength_given)
431	>	write_into_file(outfile, "zlength", args_info->zlength_orig, 0);
432	>	if (args_info->zoffset_given)
433	>	write_into_file(outfile, "zoffset", args_info->zoffset_orig, 0);
434	>	if (args_info->sele1_given)
435	>	write_into_file(outfile, "sele1", args_info->sele1_orig, 0);
436	>	if (args_info->sele2_given)
437	>	write_into_file(outfile, "sele2", args_info->sele2_orig, 0);
438	>	if (args_info->sele3_given)
439	>	write_into_file(outfile, "sele3", args_info->sele3_orig, 0);
440	>	if (args_info->refsele_given)
441	>	write_into_file(outfile, "refsele", args_info->refsele_orig, 0);
442	>	if (args_info->comsele_given)
443	>	write_into_file(outfile, "comsele", args_info->comsele_orig, 0);
444	>	if (args_info->molname_given)
445	>	write_into_file(outfile, "molname", args_info->molname_orig, 0);
446	>	if (args_info->begin_given)
447	>	write_into_file(outfile, "begin", args_info->begin_orig, 0);
448	>	if (args_info->end_given)
449	>	write_into_file(outfile, "end", args_info->end_orig, 0);
450	>	if (args_info->radius_given)
451	>	write_into_file(outfile, "radius", args_info->radius_orig, 0);
452	>	if (args_info->bo_given)
453	>	write_into_file(outfile, "bo", 0, 0 );
454	>	if (args_info->bor_given)
455	>	write_into_file(outfile, "bor", 0, 0 );
456	>	if (args_info->bad_given)
457	>	write_into_file(outfile, "bad", 0, 0 );
458	>	if (args_info->count_given)
459	>	write_into_file(outfile, "count", 0, 0 );
460	>	if (args_info->gofr_given)
461	>	write_into_file(outfile, "gofr", 0, 0 );
462	>	if (args_info->gofz_given)
463	>	write_into_file(outfile, "gofz", 0, 0 );
464	>	if (args_info->r_theta_given)
465	>	write_into_file(outfile, "r_theta", 0, 0 );
466	>	if (args_info->r_omega_given)
467	>	write_into_file(outfile, "r_omega", 0, 0 );
468	>	if (args_info->r_z_given)
469	>	write_into_file(outfile, "r_z", 0, 0 );
470	>	if (args_info->theta_omega_given)
471	>	write_into_file(outfile, "theta_omega", 0, 0 );
472	>	if (args_info->gxyz_given)
473	>	write_into_file(outfile, "gxyz", 0, 0 );
474	>	if (args_info->twodgofr_given)
475	>	write_into_file(outfile, "twodgofr", 0, 0 );
476	>	if (args_info->p2_given)
477	>	write_into_file(outfile, "p2", 0, 0 );
478	>	if (args_info->rp2_given)
479	>	write_into_file(outfile, "rp2", 0, 0 );
480	>	if (args_info->scd_given)
481	>	write_into_file(outfile, "scd", 0, 0 );
482	>	if (args_info->density_given)
483	>	write_into_file(outfile, "density", 0, 0 );
484	>	if (args_info->slab_density_given)
485	>	write_into_file(outfile, "slab_density", 0, 0 );
486	>	if (args_info->p_angle_given)
487	>	write_into_file(outfile, "p_angle", 0, 0 );
488	>	if (args_info->hxy_given)
489	>	write_into_file(outfile, "hxy", 0, 0 );
490	>	if (args_info->rho_r_given)
491	>	write_into_file(outfile, "rho_r", 0, 0 );
492	>	if (args_info->angle_r_given)
493	>	write_into_file(outfile, "angle_r", 0, 0 );
494	>	if (args_info->hullvol_given)
495	>	write_into_file(outfile, "hullvol", 0, 0 );
496	>	if (args_info->tet_param_given)
497	>	write_into_file(outfile, "tet_param", 0, 0 );
498	>
499	>
500	>	i = EXIT_SUCCESS;
501	>	return i;
502	>	}
503	>
504	>	int
505	>	cmdline_parser_file_save(const char *filename, struct gengetopt_args_info *args_info)
506	>	{
507	>	FILE *outfile;
508	>	int i = 0;
509	>
510	>	outfile = fopen(filename, "w");
511	>
512	>	if (!outfile)
513	>	{
514	>	fprintf (stderr, "%s: cannot open file for writing: %s\n", CMDLINE_PARSER_PACKAGE, filename);
515	>	return EXIT_FAILURE;
516	>	}
517	>
518	>	i = cmdline_parser_dump(outfile, args_info);
519	>	fclose (outfile);
520	>
521	>	return i;
522	>	}
523	>
524	>	void
525	>	cmdline_parser_free (struct gengetopt_args_info *args_info)
526	>	{
527	>	cmdline_parser_release (args_info);
528	>	}
529	>
530	>	/** @brief replacement of strdup, which is not standard */
531		char *
532		gengetopt_strdup (const char *s)
533		{
534	<	char *result = (char*)malloc(strlen(s) + 1);
534	>	char *result = 0;
535	>	if (!s)
536	>	return result;
537	>
538	>	result = (char*)malloc(strlen(s) + 1);
539		if (result == (char*)0)
540		return (char*)0;
541		strcpy(result, s);
542		return result;
543		}
544
545	<	int
546	<	cmdline_parser (int argc, char * const *argv, struct gengetopt_args_info *args_info)
545	>	static void
546	>	reset_group_staticProps(struct gengetopt_args_info *args_info)
547		{
548	<	int c;        /* Character of the parsed option.  */
549	<	int missing_required_options = 0;
79	<	int staticProps_group_counter = 0;
548	>	if (! args_info->staticProps_group_counter)
549	>	return;
550
551	<
552	<	args_info->help_given = 0 ;
553	<	args_info->version_given = 0 ;
554	<	args_info->input_given = 0 ;
85	<	args_info->output_given = 0 ;
86	<	args_info->step_given = 0 ;
87	<	args_info->nrbins_given = 0 ;
88	<	args_info->nanglebins_given = 0 ;
89	<	args_info->length_given = 0 ;
90	<	args_info->sele1_given = 0 ;
91	<	args_info->sele2_given = 0 ;
92	<	args_info->refsele_given = 0 ;
551	>	args_info->bo_given = 0 ;
552	>	args_info->bor_given = 0 ;
553	>	args_info->bad_given = 0 ;
554	>	args_info->count_given = 0 ;
555		args_info->gofr_given = 0 ;
556	+	args_info->gofz_given = 0 ;
557		args_info->r_theta_given = 0 ;
558		args_info->r_omega_given = 0 ;
559	+	args_info->r_z_given = 0 ;
560		args_info->theta_omega_given = 0 ;
561		args_info->gxyz_given = 0 ;
562	+	args_info->twodgofr_given = 0 ;
563		args_info->p2_given = 0 ;
564	<	#define clear_args() { \
565	<	args_info->input_arg = NULL; \
566	<	args_info->output_arg = NULL; \
567	<	args_info->step_arg = 1 ;\
568	<	args_info->nrbins_arg = 100 ;\
569	<	args_info->nanglebins_arg = 50 ;\
570	<	args_info->sele1_arg = NULL; \
571	<	args_info->sele2_arg = NULL; \
572	<	args_info->refsele_arg = NULL; \
564	>	args_info->rp2_given = 0 ;
565	>	args_info->scd_given = 0 ;
566	>	args_info->density_given = 0 ;
567	>	args_info->slab_density_given = 0 ;
568	>	args_info->p_angle_given = 0 ;
569	>	args_info->hxy_given = 0 ;
570	>	args_info->rho_r_given = 0 ;
571	>	args_info->angle_r_given = 0 ;
572	>	args_info->hullvol_given = 0 ;
573	>	args_info->tet_param_given = 0 ;
574	>
575	>	args_info->staticProps_group_counter = 0;
576		}
577
578	<	clear_args();
578	>	int
579	>	cmdline_parser (int argc, char **argv, struct gengetopt_args_info *args_info)
580	>	{
581	>	return cmdline_parser2 (argc, argv, args_info, 0, 1, 1);
582	>	}
583
584	+	int
585	+	cmdline_parser_ext (int argc, char **argv, struct gengetopt_args_info *args_info,
586	+	struct cmdline_parser_params *params)
587	+	{
588	+	int result;
589	+	result = cmdline_parser_internal (argc, argv, args_info, params, 0);
590	+
591	+	if (result == EXIT_FAILURE)
592	+	{
593	+	cmdline_parser_free (args_info);
594	+	exit (EXIT_FAILURE);
595	+	}
596	+
597	+	return result;
598	+	}
599	+
600	+	int
601	+	cmdline_parser2 (int argc, char **argv, struct gengetopt_args_info *args_info, int override, int initialize, int check_required)
602	+	{
603	+	int result;
604	+	struct cmdline_parser_params params;
605	+
606	+	params.override = override;
607	+	params.initialize = initialize;
608	+	params.check_required = check_required;
609	+	params.check_ambiguity = 0;
610	+	params.print_errors = 1;
611	+
612	+	result = cmdline_parser_internal (argc, argv, args_info, &params, 0);
613	+
614	+	if (result == EXIT_FAILURE)
615	+	{
616	+	cmdline_parser_free (args_info);
617	+	exit (EXIT_FAILURE);
618	+	}
619	+
620	+	return result;
621	+	}
622	+
623	+	int
624	+	cmdline_parser_required (struct gengetopt_args_info *args_info, const char *prog_name)
625	+	{
626	+	int result = EXIT_SUCCESS;
627	+
628	+	if (cmdline_parser_required2(args_info, prog_name, 0) > 0)
629	+	result = EXIT_FAILURE;
630	+
631	+	if (result == EXIT_FAILURE)
632	+	{
633	+	cmdline_parser_free (args_info);
634	+	exit (EXIT_FAILURE);
635	+	}
636	+
637	+	return result;
638	+	}
639	+
640	+	int
641	+	cmdline_parser_required2 (struct gengetopt_args_info *args_info, const char *prog_name, const char *additional_error)
642	+	{
643	+	int error = 0;
644	+	FIX_UNUSED (additional_error);
645	+
646	+	/* checks for required options */
647	+	if (! args_info->input_given)
648	+	{
649	+	fprintf (stderr, "%s: '--input' ('-i') option required%s\n", prog_name, (additional_error ? additional_error : ""));
650	+	error = 1;
651	+	}
652	+
653	+	if (args_info->staticProps_group_counter == 0)
654	+	{
655	+	fprintf (stderr, "%s: %d options of group staticProps were given. One is required%s.\n", prog_name, args_info->staticProps_group_counter, (additional_error ? additional_error : ""));
656	+	error = 1;
657	+	}
658	+
659	+
660	+	/* checks for dependences among options */
661	+
662	+	return error;
663	+	}
664	+
665	+
666	+	static char *package_name = 0;
667	+
668	+	/**
669	+	* @brief updates an option
670	+	* @param field the generic pointer to the field to update
671	+	* @param orig_field the pointer to the orig field
672	+	* @param field_given the pointer to the number of occurrence of this option
673	+	* @param prev_given the pointer to the number of occurrence already seen
674	+	* @param value the argument for this option (if null no arg was specified)
675	+	* @param possible_values the possible values for this option (if specified)
676	+	* @param default_value the default value (in case the option only accepts fixed values)
677	+	* @param arg_type the type of this option
678	+	* @param check_ambiguity @see cmdline_parser_params.check_ambiguity
679	+	* @param override @see cmdline_parser_params.override
680	+	* @param no_free whether to free a possible previous value
681	+	* @param multiple_option whether this is a multiple option
682	+	* @param long_opt the corresponding long option
683	+	* @param short_opt the corresponding short option (or '-' if none)
684	+	* @param additional_error possible further error specification
685	+	*/
686	+	static
687	+	int update_arg(void *field, char **orig_field,
688	+	unsigned int *field_given, unsigned int *prev_given,
689	+	char *value, const char *possible_values[],
690	+	const char *default_value,
691	+	cmdline_parser_arg_type arg_type,
692	+	int check_ambiguity, int override,
693	+	int no_free, int multiple_option,
694	+	const char *long_opt, char short_opt,
695	+	const char *additional_error)
696	+	{
697	+	char *stop_char = 0;
698	+	const char *val = value;
699	+	int found;
700	+	char **string_field;
701	+	FIX_UNUSED (field);
702	+
703	+	stop_char = 0;
704	+	found = 0;
705	+
706	+	if (!multiple_option && prev_given && (*prev_given || (check_ambiguity && *field_given)))
707	+	{
708	+	if (short_opt != '-')
709	+	fprintf (stderr, "%s: `--%s' (`-%c') option given more than once%s\n",
710	+	package_name, long_opt, short_opt,
711	+	(additional_error ? additional_error : ""));
712	+	else
713	+	fprintf (stderr, "%s: `--%s' option given more than once%s\n",
714	+	package_name, long_opt,
715	+	(additional_error ? additional_error : ""));
716	+	return 1; /* failure */
717	+	}
718	+
719	+	FIX_UNUSED (default_value);
720	+
721	+	if (field_given && *field_given && ! override)
722	+	return 0;
723	+	if (prev_given)
724	+	(*prev_given)++;
725	+	if (field_given)
726	+	(*field_given)++;
727	+	if (possible_values)
728	+	val = possible_values[found];
729	+
730	+	switch(arg_type) {
731	+	case ARG_INT:
732	+	if (val) *((int *)field) = strtol (val, &stop_char, 0);
733	+	break;
734	+	case ARG_DOUBLE:
735	+	if (val) *((double *)field) = strtod (val, &stop_char);
736	+	break;
737	+	case ARG_STRING:
738	+	if (val) {
739	+	string_field = (char **)field;
740	+	if (!no_free && *string_field)
741	+	free (*string_field); /* free previous string */
742	+	*string_field = gengetopt_strdup (val);
743	+	}
744	+	break;
745	+	default:
746	+	break;
747	+	};
748	+
749	+	/* check numeric conversion */
750	+	switch(arg_type) {
751	+	case ARG_INT:
752	+	case ARG_DOUBLE:
753	+	if (val && !(stop_char && *stop_char == '\0')) {
754	+	fprintf(stderr, "%s: invalid numeric value: %s\n", package_name, val);
755	+	return 1; /* failure */
756	+	}
757	+	break;
758	+	default:
759	+	;
760	+	};
761	+
762	+	/* store the original value */
763	+	switch(arg_type) {
764	+	case ARG_NO:
765	+	break;
766	+	default:
767	+	if (value && orig_field) {
768	+	if (no_free) {
769	+	*orig_field = value;
770	+	} else {
771	+	if (*orig_field)
772	+	free (*orig_field); /* free previous string */
773	+	*orig_field = gengetopt_strdup (value);
774	+	}
775	+	}
776	+	};
777	+
778	+	return 0; /* OK */
779	+	}
780	+
781	+
782	+	int
783	+	cmdline_parser_internal (
784	+	int argc, char **argv, struct gengetopt_args_info *args_info,
785	+	struct cmdline_parser_params *params, const char *additional_error)
786	+	{
787	+	int c;        /* Character of the parsed option.  */
788	+
789	+	int error = 0;
790	+	struct gengetopt_args_info local_args_info;
791	+
792	+	int override;
793	+	int initialize;
794	+	int check_required;
795	+	int check_ambiguity;
796	+
797	+	package_name = argv[0];
798	+
799	+	override = params->override;
800	+	initialize = params->initialize;
801	+	check_required = params->check_required;
802	+	check_ambiguity = params->check_ambiguity;
803	+
804	+	if (initialize)
805	+	cmdline_parser_init (args_info);
806	+
807	+	cmdline_parser_init (&local_args_info);
808	+
809		optarg = 0;
810	<	optind = 1;
811	<	opterr = 1;
810	>	optind = 0;
811	>	opterr = params->print_errors;
812		optopt = '?';
813
814		while (1)
815		{
816		int option_index = 0;
120	–	char *stop_char;
817
818		static struct option long_options[] = {
819		{ "help",       0, NULL, 'h' },
#	Line 125 | Line 821 | cmdline_parser (int argc, char * const *argv, struct g
821		{ "input",      1, NULL, 'i' },
822		{ "output",     1, NULL, 'o' },
823		{ "step",       1, NULL, 'n' },
824	<	{ "nrbins",     1, NULL, 'r' },
824	>	{ "nbins",      1, NULL, 'b' },
825	>	{ "nbins_x",    1, NULL, 'x' },
826	>	{ "nbins_y",    1, NULL, 'y' },
827	>	{ "nbins_z",    1, NULL, 0 },
828		{ "nanglebins", 1, NULL, 'a' },
829	<	{ "length",     1, NULL, 'l' },
829	>	{ "rcut",       1, NULL, 'c' },
830	>	{ "dz", 1, NULL, 0 },
831	>	{ "length",     1, NULL, 0 },
832	>	{ "zlength",    1, NULL, 0 },
833	>	{ "zoffset",    1, NULL, 'z' },
834		{ "sele1",      1, NULL, 0 },
835		{ "sele2",      1, NULL, 0 },
836	+	{ "sele3",      1, NULL, 0 },
837		{ "refsele",    1, NULL, 0 },
838	<	{ "gofr",       0, NULL, 0 },
838	>	{ "comsele",    1, NULL, 0 },
839	>	{ "molname",    1, NULL, 0 },
840	>	{ "begin",      1, NULL, 0 },
841	>	{ "end",        1, NULL, 0 },
842	>	{ "radius",     1, NULL, 0 },
843	>	{ "bo", 0, NULL, 0 },
844	>	{ "bor",        0, NULL, 0 },
845	>	{ "bad",        0, NULL, 0 },
846	>	{ "count",      0, NULL, 0 },
847	>	{ "gofr",       0, NULL, 'g' },
848	>	{ "gofz",       0, NULL, 0 },
849		{ "r_theta",    0, NULL, 0 },
850		{ "r_omega",    0, NULL, 0 },
851	+	{ "r_z",        0, NULL, 0 },
852		{ "theta_omega",        0, NULL, 0 },
853		{ "gxyz",       0, NULL, 0 },
854	<	{ "p2", 0, NULL, 0 },
855	<	{ NULL, 0, NULL, 0 }
854	>	{ "twodgofr",   0, NULL, 0 },
855	>	{ "p2", 0, NULL, 'p' },
856	>	{ "rp2",        0, NULL, 0 },
857	>	{ "scd",        0, NULL, 's' },
858	>	{ "density",    0, NULL, 'd' },
859	>	{ "slab_density",       0, NULL, 0 },
860	>	{ "p_angle",    0, NULL, 0 },
861	>	{ "hxy",        0, NULL, 0 },
862	>	{ "rho_r",      0, NULL, 0 },
863	>	{ "angle_r",    0, NULL, 0 },
864	>	{ "hullvol",    0, NULL, 0 },
865	>	{ "tet_param",  0, NULL, 'Q' },
866	>	{ 0,  0, 0, 0 }
867		};
868
869	<	stop_char = 0;
144	<	c = getopt_long (argc, argv, "hVi:o:n:r:a:l:", long_options, &option_index);
869	>	c = getopt_long (argc, argv, "hVi:o:n:b:x:y:a:c:z:gpsdQ", long_options, &option_index);
870
871		if (c == -1) break;       /* Exit from `while (1)' loop.  */
872
873		switch (c)
874		{
875		case 'h':       /* Print help and exit.  */
151	–	clear_args ();
876		cmdline_parser_print_help ();
877	+	cmdline_parser_free (&local_args_info);
878		exit (EXIT_SUCCESS);
879
880		case 'V':       /* Print version and exit.  */
156	–	clear_args ();
881		cmdline_parser_print_version ();
882	+	cmdline_parser_free (&local_args_info);
883		exit (EXIT_SUCCESS);
884
885		case 'i':       /* input dump file.  */
886	<	if (args_info->input_given)
887	<	{
888	<	fprintf (stderr, "%s: `--input' (`-i') option given more than once\n", CMDLINE_PARSER_PACKAGE);
889	<	clear_args ();
890	<	exit (EXIT_FAILURE);
891	<	}
892	<	args_info->input_given = 1;
893	<	args_info->input_arg = gengetopt_strdup (optarg);
886	>
887	>
888	>	if (update_arg( (void *)&(args_info->input_arg),
889	>	&(args_info->input_orig), &(args_info->input_given),
890	>	&(local_args_info.input_given), optarg, 0, 0, ARG_STRING,
891	>	check_ambiguity, override, 0, 0,
892	>	"input", 'i',
893	>	additional_error))
894	>	goto failure;
895	>
896		break;
170	–
897		case 'o':       /* output file name.  */
898	<	if (args_info->output_given)
899	<	{
900	<	fprintf (stderr, "%s: `--output' (`-o') option given more than once\n", CMDLINE_PARSER_PACKAGE);
901	<	clear_args ();
902	<	exit (EXIT_FAILURE);
903	<	}
904	<	args_info->output_given = 1;
905	<	args_info->output_arg = gengetopt_strdup (optarg);
898	>
899	>
900	>	if (update_arg( (void *)&(args_info->output_arg),
901	>	&(args_info->output_orig), &(args_info->output_given),
902	>	&(local_args_info.output_given), optarg, 0, 0, ARG_STRING,
903	>	check_ambiguity, override, 0, 0,
904	>	"output", 'o',
905	>	additional_error))
906	>	goto failure;
907	>
908		break;
181	–
909		case 'n':       /* process every n frame.  */
910	<	if (args_info->step_given)
911	<	{
912	<	fprintf (stderr, "%s: `--step' (`-n') option given more than once\n", CMDLINE_PARSER_PACKAGE);
913	<	clear_args ();
914	<	exit (EXIT_FAILURE);
915	<	}
916	<	args_info->step_given = 1;
917	<	args_info->step_arg = strtol (optarg,&stop_char,0);
910	>
911	>
912	>	if (update_arg( (void *)&(args_info->step_arg),
913	>	&(args_info->step_orig), &(args_info->step_given),
914	>	&(local_args_info.step_given), optarg, 0, "1", ARG_INT,
915	>	check_ambiguity, override, 0, 0,
916	>	"step", 'n',
917	>	additional_error))
918	>	goto failure;
919	>
920		break;
921	<
922	<	case 'r':       /* number of bins for distance.  */
923	<	if (args_info->nrbins_given)
924	<	{
925	<	fprintf (stderr, "%s: `--nrbins' (`-r') option given more than once\n", CMDLINE_PARSER_PACKAGE);
926	<	clear_args ();
927	<	exit (EXIT_FAILURE);
928	<	}
929	<	args_info->nrbins_given = 1;
930	<	args_info->nrbins_arg = strtol (optarg,&stop_char,0);
921	>	case 'b':       /* number of bins (general purpose).  */
922	>
923	>
924	>	if (update_arg( (void *)&(args_info->nbins_arg),
925	>	&(args_info->nbins_orig), &(args_info->nbins_given),
926	>	&(local_args_info.nbins_given), optarg, 0, "100", ARG_INT,
927	>	check_ambiguity, override, 0, 0,
928	>	"nbins", 'b',
929	>	additional_error))
930	>	goto failure;
931	>
932		break;
933	<
933	>	case 'x':       /* number of bins in x axis.  */
934	>
935	>
936	>	if (update_arg( (void *)&(args_info->nbins_x_arg),
937	>	&(args_info->nbins_x_orig), &(args_info->nbins_x_given),
938	>	&(local_args_info.nbins_x_given), optarg, 0, "100", ARG_INT,
939	>	check_ambiguity, override, 0, 0,
940	>	"nbins_x", 'x',
941	>	additional_error))
942	>	goto failure;
943	>
944	>	break;
945	>	case 'y':       /* number of bins in y axis.  */
946	>
947	>
948	>	if (update_arg( (void *)&(args_info->nbins_y_arg),
949	>	&(args_info->nbins_y_orig), &(args_info->nbins_y_given),
950	>	&(local_args_info.nbins_y_given), optarg, 0, "100", ARG_INT,
951	>	check_ambiguity, override, 0, 0,
952	>	"nbins_y", 'y',
953	>	additional_error))
954	>	goto failure;
955	>
956	>	break;
957		case 'a':       /* number of bins for cos(angle).  */
958	<	if (args_info->nanglebins_given)
959	<	{
960	<	fprintf (stderr, "%s: `--nanglebins' (`-a') option given more than once\n", CMDLINE_PARSER_PACKAGE);
961	<	clear_args ();
962	<	exit (EXIT_FAILURE);
963	<	}
964	<	args_info->nanglebins_given = 1;
965	<	args_info->nanglebins_arg = strtol (optarg,&stop_char,0);
958	>
959	>
960	>	if (update_arg( (void *)&(args_info->nanglebins_arg),
961	>	&(args_info->nanglebins_orig), &(args_info->nanglebins_given),
962	>	&(local_args_info.nanglebins_given), optarg, 0, "50", ARG_INT,
963	>	check_ambiguity, override, 0, 0,
964	>	"nanglebins", 'a',
965	>	additional_error))
966	>	goto failure;
967	>
968		break;
969	<
970	<	case 'l':       /* maximum length (Defaults to 1/2 smallest length of first frame).  */
971	<	if (args_info->length_given)
972	<	{
973	<	fprintf (stderr, "%s: `--length' (`-l') option given more than once\n", CMDLINE_PARSER_PACKAGE);
974	<	clear_args ();
975	<	exit (EXIT_FAILURE);
976	<	}
977	<	args_info->length_given = 1;
978	<	args_info->length_arg = strtod (optarg, NULL);
969	>	case 'c':       /* cutoff radius (rcut).  */
970	>
971	>
972	>	if (update_arg( (void *)&(args_info->rcut_arg),
973	>	&(args_info->rcut_orig), &(args_info->rcut_given),
974	>	&(local_args_info.rcut_given), optarg, 0, 0, ARG_DOUBLE,
975	>	check_ambiguity, override, 0, 0,
976	>	"rcut", 'c',
977	>	additional_error))
978	>	goto failure;
979	>
980		break;
981	+	case 'z':       /* Where to set the zero for the slab_density calculation.  */
982	+
983	+
984	+	if (update_arg( (void *)&(args_info->zoffset_arg),
985	+	&(args_info->zoffset_orig), &(args_info->zoffset_given),
986	+	&(local_args_info.zoffset_given), optarg, 0, "0", ARG_DOUBLE,
987	+	check_ambiguity, override, 0, 0,
988	+	"zoffset", 'z',
989	+	additional_error))
990	+	goto failure;
991	+
992	+	break;
993	+	case 'g':       /* g(r).  */
994	+
995	+	if (args_info->staticProps_group_counter && override)
996	+	reset_group_staticProps (args_info);
997	+	args_info->staticProps_group_counter += 1;
998	+
999	+	if (update_arg( 0 ,
1000	+	0 , &(args_info->gofr_given),
1001	+	&(local_args_info.gofr_given), optarg, 0, 0, ARG_NO,
1002	+	check_ambiguity, override, 0, 0,
1003	+	"gofr", 'g',
1004	+	additional_error))
1005	+	goto failure;
1006	+
1007	+	break;
1008	+	case 'p':       /* p2 order parameter (--sele1 and --sele2 must be specified).  */
1009	+
1010	+	if (args_info->staticProps_group_counter && override)
1011	+	reset_group_staticProps (args_info);
1012	+	args_info->staticProps_group_counter += 1;
1013	+
1014	+	if (update_arg( 0 ,
1015	+	0 , &(args_info->p2_given),
1016	+	&(local_args_info.p2_given), optarg, 0, 0, ARG_NO,
1017	+	check_ambiguity, override, 0, 0,
1018	+	"p2", 'p',
1019	+	additional_error))
1020	+	goto failure;
1021	+
1022	+	break;
1023	+	case 's':       /* scd order parameter (either --sele1, --sele2, --sele3 are specified or --molname, --begin, --end are specified).  */
1024	+
1025	+	if (args_info->staticProps_group_counter && override)
1026	+	reset_group_staticProps (args_info);
1027	+	args_info->staticProps_group_counter += 1;
1028	+
1029	+	if (update_arg( 0 ,
1030	+	0 , &(args_info->scd_given),
1031	+	&(local_args_info.scd_given), optarg, 0, 0, ARG_NO,
1032	+	check_ambiguity, override, 0, 0,
1033	+	"scd", 's',
1034	+	additional_error))
1035	+	goto failure;
1036	+
1037	+	break;
1038	+	case 'd':       /* density plot.  */
1039	+
1040	+	if (args_info->staticProps_group_counter && override)
1041	+	reset_group_staticProps (args_info);
1042	+	args_info->staticProps_group_counter += 1;
1043	+
1044	+	if (update_arg( 0 ,
1045	+	0 , &(args_info->density_given),
1046	+	&(local_args_info.density_given), optarg, 0, 0, ARG_NO,
1047	+	check_ambiguity, override, 0, 0,
1048	+	"density", 'd',
1049	+	additional_error))
1050	+	goto failure;
1051	+
1052	+	break;
1053	+	case 'Q':       /* tetrahedrality order parameter.  */
1054	+
1055	+	if (args_info->staticProps_group_counter && override)
1056	+	reset_group_staticProps (args_info);
1057	+	args_info->staticProps_group_counter += 1;
1058	+
1059	+	if (update_arg( 0 ,
1060	+	0 , &(args_info->tet_param_given),
1061	+	&(local_args_info.tet_param_given), optarg, 0, 0, ARG_NO,
1062	+	check_ambiguity, override, 0, 0,
1063	+	"tet_param", 'Q',
1064	+	additional_error))
1065	+	goto failure;
1066	+
1067	+	break;
1068
226	–
1069		case 0: /* Long option with no short option */
1070	<	/* select first stuntdouble set.  */
1071	<	if (strcmp (long_options[option_index].name, "sele1") == 0)
1070	>	/* number of bins in z axis.  */
1071	>	if (strcmp (long_options[option_index].name, "nbins_z") == 0)
1072		{
1073	<	if (args_info->sele1_given)
1074	<	{
1075	<	fprintf (stderr, "%s: `--sele1' option given more than once\n", CMDLINE_PARSER_PACKAGE);
1076	<	clear_args ();
1077	<	exit (EXIT_FAILURE);
1078	<	}
1079	<	args_info->sele1_given = 1;
1080	<	args_info->sele1_arg = gengetopt_strdup (optarg);
1081	<	break;
1073	>
1074	>
1075	>	if (update_arg( (void *)&(args_info->nbins_z_arg),
1076	>	&(args_info->nbins_z_orig), &(args_info->nbins_z_given),
1077	>	&(local_args_info.nbins_z_given), optarg, 0, "100", ARG_INT,
1078	>	check_ambiguity, override, 0, 0,
1079	>	"nbins_z", '-',
1080	>	additional_error))
1081	>	goto failure;
1082	>
1083		}
1084	+	/* slab width (dz).  */
1085	+	else if (strcmp (long_options[option_index].name, "dz") == 0)
1086	+	{
1087
1088	<	/* select second stuntdouble set.  */
1088	>
1089	>	if (update_arg( (void *)&(args_info->dz_arg),
1090	>	&(args_info->dz_orig), &(args_info->dz_given),
1091	>	&(local_args_info.dz_given), optarg, 0, 0, ARG_DOUBLE,
1092	>	check_ambiguity, override, 0, 0,
1093	>	"dz", '-',
1094	>	additional_error))
1095	>	goto failure;
1096	>
1097	>	}
1098	>	/* maximum length (Defaults to 1/2 smallest length of first frame).  */
1099	>	else if (strcmp (long_options[option_index].name, "length") == 0)
1100	>	{
1101	>
1102	>
1103	>	if (update_arg( (void *)&(args_info->length_arg),
1104	>	&(args_info->length_orig), &(args_info->length_given),
1105	>	&(local_args_info.length_given), optarg, 0, 0, ARG_DOUBLE,
1106	>	check_ambiguity, override, 0, 0,
1107	>	"length", '-',
1108	>	additional_error))
1109	>	goto failure;
1110	>
1111	>	}
1112	>	/* maximum length (Defaults to 1/2 smallest length of first frame).  */
1113	>	else if (strcmp (long_options[option_index].name, "zlength") == 0)
1114	>	{
1115	>
1116	>
1117	>	if (update_arg( (void *)&(args_info->zlength_arg),
1118	>	&(args_info->zlength_orig), &(args_info->zlength_given),
1119	>	&(local_args_info.zlength_given), optarg, 0, 0, ARG_DOUBLE,
1120	>	check_ambiguity, override, 0, 0,
1121	>	"zlength", '-',
1122	>	additional_error))
1123	>	goto failure;
1124	>
1125	>	}
1126	>	/* select the first stuntdouble set.  */
1127	>	else if (strcmp (long_options[option_index].name, "sele1") == 0)
1128	>	{
1129	>
1130	>
1131	>	if (update_arg( (void *)&(args_info->sele1_arg),
1132	>	&(args_info->sele1_orig), &(args_info->sele1_given),
1133	>	&(local_args_info.sele1_given), optarg, 0, 0, ARG_STRING,
1134	>	check_ambiguity, override, 0, 0,
1135	>	"sele1", '-',
1136	>	additional_error))
1137	>	goto failure;
1138	>
1139	>	}
1140	>	/* select the second stuntdouble set.  */
1141		else if (strcmp (long_options[option_index].name, "sele2") == 0)
1142		{
1143	<	if (args_info->sele2_given)
1144	<	{
1145	<	fprintf (stderr, "%s: `--sele2' option given more than once\n", CMDLINE_PARSER_PACKAGE);
1146	<	clear_args ();
1147	<	exit (EXIT_FAILURE);
1148	<	}
1149	<	args_info->sele2_given = 1;
1150	<	args_info->sele2_arg = gengetopt_strdup (optarg);
1151	<	break;
1143	>
1144	>
1145	>	if (update_arg( (void *)&(args_info->sele2_arg),
1146	>	&(args_info->sele2_orig), &(args_info->sele2_given),
1147	>	&(local_args_info.sele2_given), optarg, 0, 0, ARG_STRING,
1148	>	check_ambiguity, override, 0, 0,
1149	>	"sele2", '-',
1150	>	additional_error))
1151	>	goto failure;
1152	>
1153		}
1154	+	/* select the third stuntdouble set.  */
1155	+	else if (strcmp (long_options[option_index].name, "sele3") == 0)
1156	+	{
1157
1158	+
1159	+	if (update_arg( (void *)&(args_info->sele3_arg),
1160	+	&(args_info->sele3_orig), &(args_info->sele3_given),
1161	+	&(local_args_info.sele3_given), optarg, 0, 0, ARG_STRING,
1162	+	check_ambiguity, override, 0, 0,
1163	+	"sele3", '-',
1164	+	additional_error))
1165	+	goto failure;
1166	+
1167	+	}
1168		/* select reference (use and only use with --gxyz).  */
1169		else if (strcmp (long_options[option_index].name, "refsele") == 0)
1170		{
1171	<	if (args_info->refsele_given)
1172	<	{
1173	<	fprintf (stderr, "%s: `--refsele' option given more than once\n", CMDLINE_PARSER_PACKAGE);
1174	<	clear_args ();
1175	<	exit (EXIT_FAILURE);
1176	<	}
1177	<	args_info->refsele_given = 1;
1178	<	args_info->refsele_arg = gengetopt_strdup (optarg);
1179	<	break;
1171	>
1172	>
1173	>	if (update_arg( (void *)&(args_info->refsele_arg),
1174	>	&(args_info->refsele_orig), &(args_info->refsele_given),
1175	>	&(local_args_info.refsele_given), optarg, 0, 0, ARG_STRING,
1176	>	check_ambiguity, override, 0, 0,
1177	>	"refsele", '-',
1178	>	additional_error))
1179	>	goto failure;
1180	>
1181		}
1182	+	/* select stunt doubles for center-of-mass reference point.  */
1183	+	else if (strcmp (long_options[option_index].name, "comsele") == 0)
1184	+	{
1185
1186	<	/* g(r).  */
1187	<	else if (strcmp (long_options[option_index].name, "gofr") == 0)
1186	>
1187	>	if (update_arg( (void *)&(args_info->comsele_arg),
1188	>	&(args_info->comsele_orig), &(args_info->comsele_given),
1189	>	&(local_args_info.comsele_given), optarg, 0, 0, ARG_STRING,
1190	>	check_ambiguity, override, 0, 0,
1191	>	"comsele", '-',
1192	>	additional_error))
1193	>	goto failure;
1194	>
1195	>	}
1196	>	/* molecule name.  */
1197	>	else if (strcmp (long_options[option_index].name, "molname") == 0)
1198		{
273	–	if (args_info->gofr_given)
274	–	{
275	–	fprintf (stderr, "%s: `--gofr' option given more than once\n", CMDLINE_PARSER_PACKAGE);
276	–	clear_args ();
277	–	exit (EXIT_FAILURE);
278	–	}
279	–	args_info->gofr_given = 1; staticProps_group_counter += 1;
1199
1200	<	break;
1200	>
1201	>	if (update_arg( (void *)&(args_info->molname_arg),
1202	>	&(args_info->molname_orig), &(args_info->molname_given),
1203	>	&(local_args_info.molname_given), optarg, 0, 0, ARG_STRING,
1204	>	check_ambiguity, override, 0, 0,
1205	>	"molname", '-',
1206	>	additional_error))
1207	>	goto failure;
1208	>
1209		}
1210	+	/* begin internal index.  */
1211	+	else if (strcmp (long_options[option_index].name, "begin") == 0)
1212	+	{
1213
1214	+
1215	+	if (update_arg( (void *)&(args_info->begin_arg),
1216	+	&(args_info->begin_orig), &(args_info->begin_given),
1217	+	&(local_args_info.begin_given), optarg, 0, 0, ARG_INT,
1218	+	check_ambiguity, override, 0, 0,
1219	+	"begin", '-',
1220	+	additional_error))
1221	+	goto failure;
1222	+
1223	+	}
1224	+	/* end internal index.  */
1225	+	else if (strcmp (long_options[option_index].name, "end") == 0)
1226	+	{
1227	+
1228	+
1229	+	if (update_arg( (void *)&(args_info->end_arg),
1230	+	&(args_info->end_orig), &(args_info->end_given),
1231	+	&(local_args_info.end_given), optarg, 0, 0, ARG_INT,
1232	+	check_ambiguity, override, 0, 0,
1233	+	"end", '-',
1234	+	additional_error))
1235	+	goto failure;
1236	+
1237	+	}
1238	+	/* nanoparticle radius.  */
1239	+	else if (strcmp (long_options[option_index].name, "radius") == 0)
1240	+	{
1241	+
1242	+
1243	+	if (update_arg( (void *)&(args_info->radius_arg),
1244	+	&(args_info->radius_orig), &(args_info->radius_given),
1245	+	&(local_args_info.radius_given), optarg, 0, 0, ARG_DOUBLE,
1246	+	check_ambiguity, override, 0, 0,
1247	+	"radius", '-',
1248	+	additional_error))
1249	+	goto failure;
1250	+
1251	+	}
1252	+	/* bond order parameter (--rcut must be specified).  */
1253	+	else if (strcmp (long_options[option_index].name, "bo") == 0)
1254	+	{
1255	+
1256	+	if (args_info->staticProps_group_counter && override)
1257	+	reset_group_staticProps (args_info);
1258	+	args_info->staticProps_group_counter += 1;
1259	+
1260	+	if (update_arg( 0 ,
1261	+	0 , &(args_info->bo_given),
1262	+	&(local_args_info.bo_given), optarg, 0, 0, ARG_NO,
1263	+	check_ambiguity, override, 0, 0,
1264	+	"bo", '-',
1265	+	additional_error))
1266	+	goto failure;
1267	+
1268	+	}
1269	+	/* bond order parameter as a function of radius (--rcut must be specified).  */
1270	+	else if (strcmp (long_options[option_index].name, "bor") == 0)
1271	+	{
1272	+
1273	+	if (args_info->staticProps_group_counter && override)
1274	+	reset_group_staticProps (args_info);
1275	+	args_info->staticProps_group_counter += 1;
1276	+
1277	+	if (update_arg( 0 ,
1278	+	0 , &(args_info->bor_given),
1279	+	&(local_args_info.bor_given), optarg, 0, 0, ARG_NO,
1280	+	check_ambiguity, override, 0, 0,
1281	+	"bor", '-',
1282	+	additional_error))
1283	+	goto failure;
1284	+
1285	+	}
1286	+	/* N(theta) bond angle density within (--rcut must be specified).  */
1287	+	else if (strcmp (long_options[option_index].name, "bad") == 0)
1288	+	{
1289	+
1290	+	if (args_info->staticProps_group_counter && override)
1291	+	reset_group_staticProps (args_info);
1292	+	args_info->staticProps_group_counter += 1;
1293	+
1294	+	if (update_arg( 0 ,
1295	+	0 , &(args_info->bad_given),
1296	+	&(local_args_info.bad_given), optarg, 0, 0, ARG_NO,
1297	+	check_ambiguity, override, 0, 0,
1298	+	"bad", '-',
1299	+	additional_error))
1300	+	goto failure;
1301	+
1302	+	}
1303	+	/* count of molecules matching selection criteria (and associated statistics).  */
1304	+	else if (strcmp (long_options[option_index].name, "count") == 0)
1305	+	{
1306	+
1307	+	if (args_info->staticProps_group_counter && override)
1308	+	reset_group_staticProps (args_info);
1309	+	args_info->staticProps_group_counter += 1;
1310	+
1311	+	if (update_arg( 0 ,
1312	+	0 , &(args_info->count_given),
1313	+	&(local_args_info.count_given), optarg, 0, 0, ARG_NO,
1314	+	check_ambiguity, override, 0, 0,
1315	+	"count", '-',
1316	+	additional_error))
1317	+	goto failure;
1318	+
1319	+	}
1320	+	/* g(z).  */
1321	+	else if (strcmp (long_options[option_index].name, "gofz") == 0)
1322	+	{
1323	+
1324	+	if (args_info->staticProps_group_counter && override)
1325	+	reset_group_staticProps (args_info);
1326	+	args_info->staticProps_group_counter += 1;
1327	+
1328	+	if (update_arg( 0 ,
1329	+	0 , &(args_info->gofz_given),
1330	+	&(local_args_info.gofz_given), optarg, 0, 0, ARG_NO,
1331	+	check_ambiguity, override, 0, 0,
1332	+	"gofz", '-',
1333	+	additional_error))
1334	+	goto failure;
1335	+
1336	+	}
1337		/* g(r, cos(theta)).  */
1338		else if (strcmp (long_options[option_index].name, "r_theta") == 0)
1339		{
287	–	if (args_info->r_theta_given)
288	–	{
289	–	fprintf (stderr, "%s: `--r_theta' option given more than once\n", CMDLINE_PARSER_PACKAGE);
290	–	clear_args ();
291	–	exit (EXIT_FAILURE);
292	–	}
293	–	args_info->r_theta_given = 1; staticProps_group_counter += 1;
1340
1341	<	break;
1342	<	}
1341	>	if (args_info->staticProps_group_counter && override)
1342	>	reset_group_staticProps (args_info);
1343	>	args_info->staticProps_group_counter += 1;
1344
1345	+	if (update_arg( 0 ,
1346	+	0 , &(args_info->r_theta_given),
1347	+	&(local_args_info.r_theta_given), optarg, 0, 0, ARG_NO,
1348	+	check_ambiguity, override, 0, 0,
1349	+	"r_theta", '-',
1350	+	additional_error))
1351	+	goto failure;
1352	+
1353	+	}
1354		/* g(r, cos(omega)).  */
1355		else if (strcmp (long_options[option_index].name, "r_omega") == 0)
1356		{
301	–	if (args_info->r_omega_given)
302	–	{
303	–	fprintf (stderr, "%s: `--r_omega' option given more than once\n", CMDLINE_PARSER_PACKAGE);
304	–	clear_args ();
305	–	exit (EXIT_FAILURE);
306	–	}
307	–	args_info->r_omega_given = 1; staticProps_group_counter += 1;
1357
1358	<	break;
1358	>	if (args_info->staticProps_group_counter && override)
1359	>	reset_group_staticProps (args_info);
1360	>	args_info->staticProps_group_counter += 1;
1361	>
1362	>	if (update_arg( 0 ,
1363	>	0 , &(args_info->r_omega_given),
1364	>	&(local_args_info.r_omega_given), optarg, 0, 0, ARG_NO,
1365	>	check_ambiguity, override, 0, 0,
1366	>	"r_omega", '-',
1367	>	additional_error))
1368	>	goto failure;
1369	>
1370		}
1371	+	/* g(r, z).  */
1372	+	else if (strcmp (long_options[option_index].name, "r_z") == 0)
1373	+	{
1374
1375	+	if (args_info->staticProps_group_counter && override)
1376	+	reset_group_staticProps (args_info);
1377	+	args_info->staticProps_group_counter += 1;
1378	+
1379	+	if (update_arg( 0 ,
1380	+	0 , &(args_info->r_z_given),
1381	+	&(local_args_info.r_z_given), optarg, 0, 0, ARG_NO,
1382	+	check_ambiguity, override, 0, 0,
1383	+	"r_z", '-',
1384	+	additional_error))
1385	+	goto failure;
1386	+
1387	+	}
1388		/* g(cos(theta), cos(omega)).  */
1389		else if (strcmp (long_options[option_index].name, "theta_omega") == 0)
1390		{
315	–	if (args_info->theta_omega_given)
316	–	{
317	–	fprintf (stderr, "%s: `--theta_omega' option given more than once\n", CMDLINE_PARSER_PACKAGE);
318	–	clear_args ();
319	–	exit (EXIT_FAILURE);
320	–	}
321	–	args_info->theta_omega_given = 1; staticProps_group_counter += 1;
1391
1392	<	break;
1393	<	}
1392	>	if (args_info->staticProps_group_counter && override)
1393	>	reset_group_staticProps (args_info);
1394	>	args_info->staticProps_group_counter += 1;
1395
1396	+	if (update_arg( 0 ,
1397	+	0 , &(args_info->theta_omega_given),
1398	+	&(local_args_info.theta_omega_given), optarg, 0, 0, ARG_NO,
1399	+	check_ambiguity, override, 0, 0,
1400	+	"theta_omega", '-',
1401	+	additional_error))
1402	+	goto failure;
1403	+
1404	+	}
1405		/* g(x, y, z).  */
1406		else if (strcmp (long_options[option_index].name, "gxyz") == 0)
1407		{
329	–	if (args_info->gxyz_given)
330	–	{
331	–	fprintf (stderr, "%s: `--gxyz' option given more than once\n", CMDLINE_PARSER_PACKAGE);
332	–	clear_args ();
333	–	exit (EXIT_FAILURE);
334	–	}
335	–	args_info->gxyz_given = 1; staticProps_group_counter += 1;
1408
1409	<	break;
1409	>	if (args_info->staticProps_group_counter && override)
1410	>	reset_group_staticProps (args_info);
1411	>	args_info->staticProps_group_counter += 1;
1412	>
1413	>	if (update_arg( 0 ,
1414	>	0 , &(args_info->gxyz_given),
1415	>	&(local_args_info.gxyz_given), optarg, 0, 0, ARG_NO,
1416	>	check_ambiguity, override, 0, 0,
1417	>	"gxyz", '-',
1418	>	additional_error))
1419	>	goto failure;
1420	>
1421		}
1422	+	/* 2D g(r) (Slab width --dz must be specified).  */
1423	+	else if (strcmp (long_options[option_index].name, "twodgofr") == 0)
1424	+	{
1425
1426	<	/* p2 order parameter.  */
1427	<	else if (strcmp (long_options[option_index].name, "p2") == 0)
1426	>	if (args_info->staticProps_group_counter && override)
1427	>	reset_group_staticProps (args_info);
1428	>	args_info->staticProps_group_counter += 1;
1429	>
1430	>	if (update_arg( 0 ,
1431	>	0 , &(args_info->twodgofr_given),
1432	>	&(local_args_info.twodgofr_given), optarg, 0, 0, ARG_NO,
1433	>	check_ambiguity, override, 0, 0,
1434	>	"twodgofr", '-',
1435	>	additional_error))
1436	>	goto failure;
1437	>
1438	>	}
1439	>	/* rp2 order parameter (--sele1 and --sele2 must be specified).  */
1440	>	else if (strcmp (long_options[option_index].name, "rp2") == 0)
1441		{
343	–	if (args_info->p2_given)
344	–	{
345	–	fprintf (stderr, "%s: `--p2' option given more than once\n", CMDLINE_PARSER_PACKAGE);
346	–	clear_args ();
347	–	exit (EXIT_FAILURE);
348	–	}
349	–	args_info->p2_given = 1; staticProps_group_counter += 1;
1442
1443	<	break;
1443	>	if (args_info->staticProps_group_counter && override)
1444	>	reset_group_staticProps (args_info);
1445	>	args_info->staticProps_group_counter += 1;
1446	>
1447	>	if (update_arg( 0 ,
1448	>	0 , &(args_info->rp2_given),
1449	>	&(local_args_info.rp2_given), optarg, 0, 0, ARG_NO,
1450	>	check_ambiguity, override, 0, 0,
1451	>	"rp2", '-',
1452	>	additional_error))
1453	>	goto failure;
1454	>
1455		}
1456	+	/* slab density.  */
1457	+	else if (strcmp (long_options[option_index].name, "slab_density") == 0)
1458	+	{
1459
1460	<
1460	>	if (args_info->staticProps_group_counter && override)
1461	>	reset_group_staticProps (args_info);
1462	>	args_info->staticProps_group_counter += 1;
1463	>
1464	>	if (update_arg( 0 ,
1465	>	0 , &(args_info->slab_density_given),
1466	>	&(local_args_info.slab_density_given), optarg, 0, 0, ARG_NO,
1467	>	check_ambiguity, override, 0, 0,
1468	>	"slab_density", '-',
1469	>	additional_error))
1470	>	goto failure;
1471	>
1472	>	}
1473	>	/* p(cos(theta)).  */
1474	>	else if (strcmp (long_options[option_index].name, "p_angle") == 0)
1475	>	{
1476	>
1477	>	if (args_info->staticProps_group_counter && override)
1478	>	reset_group_staticProps (args_info);
1479	>	args_info->staticProps_group_counter += 1;
1480	>
1481	>	if (update_arg( 0 ,
1482	>	0 , &(args_info->p_angle_given),
1483	>	&(local_args_info.p_angle_given), optarg, 0, 0, ARG_NO,
1484	>	check_ambiguity, override, 0, 0,
1485	>	"p_angle", '-',
1486	>	additional_error))
1487	>	goto failure;
1488	>
1489	>	}
1490	>	/* hxy.  */
1491	>	else if (strcmp (long_options[option_index].name, "hxy") == 0)
1492	>	{
1493	>
1494	>	if (args_info->staticProps_group_counter && override)
1495	>	reset_group_staticProps (args_info);
1496	>	args_info->staticProps_group_counter += 1;
1497	>
1498	>	if (update_arg( 0 ,
1499	>	0 , &(args_info->hxy_given),
1500	>	&(local_args_info.hxy_given), optarg, 0, 0, ARG_NO,
1501	>	check_ambiguity, override, 0, 0,
1502	>	"hxy", '-',
1503	>	additional_error))
1504	>	goto failure;
1505	>
1506	>	}
1507	>	/* rho of R.  */
1508	>	else if (strcmp (long_options[option_index].name, "rho_r") == 0)
1509	>	{
1510	>
1511	>	if (args_info->staticProps_group_counter && override)
1512	>	reset_group_staticProps (args_info);
1513	>	args_info->staticProps_group_counter += 1;
1514	>
1515	>	if (update_arg( 0 ,
1516	>	0 , &(args_info->rho_r_given),
1517	>	&(local_args_info.rho_r_given), optarg, 0, 0, ARG_NO,
1518	>	check_ambiguity, override, 0, 0,
1519	>	"rho_r", '-',
1520	>	additional_error))
1521	>	goto failure;
1522	>
1523	>	}
1524	>	/* angle of R.  */
1525	>	else if (strcmp (long_options[option_index].name, "angle_r") == 0)
1526	>	{
1527	>
1528	>	if (args_info->staticProps_group_counter && override)
1529	>	reset_group_staticProps (args_info);
1530	>	args_info->staticProps_group_counter += 1;
1531	>
1532	>	if (update_arg( 0 ,
1533	>	0 , &(args_info->angle_r_given),
1534	>	&(local_args_info.angle_r_given), optarg, 0, 0, ARG_NO,
1535	>	check_ambiguity, override, 0, 0,
1536	>	"angle_r", '-',
1537	>	additional_error))
1538	>	goto failure;
1539	>
1540	>	}
1541	>	/* hull volume of nanoparticle.  */
1542	>	else if (strcmp (long_options[option_index].name, "hullvol") == 0)
1543	>	{
1544	>
1545	>	if (args_info->staticProps_group_counter && override)
1546	>	reset_group_staticProps (args_info);
1547	>	args_info->staticProps_group_counter += 1;
1548	>
1549	>	if (update_arg( 0 ,
1550	>	0 , &(args_info->hullvol_given),
1551	>	&(local_args_info.hullvol_given), optarg, 0, 0, ARG_NO,
1552	>	check_ambiguity, override, 0, 0,
1553	>	"hullvol", '-',
1554	>	additional_error))
1555	>	goto failure;
1556	>
1557	>	}
1558	>
1559	>	break;
1560		case '?':       /* Invalid option.  */
1561		/* `getopt_long' already printed an error message.  */
1562	<	exit (EXIT_FAILURE);
1562	>	goto failure;
1563
1564		default:        /* bug: option not considered.  */
1565	<	fprintf (stderr, "%s: option unknown: %c\n", CMDLINE_PARSER_PACKAGE, c);
1565	>	fprintf (stderr, "%s: option unknown: %c%s\n", CMDLINE_PARSER_PACKAGE, c, (additional_error ? additional_error : ""));
1566		abort ();
1567		} /* switch */
1568		} /* while */
1569
1570	<	if ( staticProps_group_counter != 1)
1570	>	if (args_info->staticProps_group_counter > 1)
1571		{
1572	<	fprintf (stderr, "%s: %d options of group staticProps were given. One is required\n", CMDLINE_PARSER_PACKAGE, staticProps_group_counter);
1573	<	missing_required_options = 1;
1572	>	fprintf (stderr, "%s: %d options of group staticProps were given. One is required%s.\n", argv[0], args_info->staticProps_group_counter, (additional_error ? additional_error : ""));
1573	>	error = 1;
1574		}
1575
1576
1577	<	if (! args_info->input_given)
1577	>
1578	>	if (check_required)
1579		{
1580	<	fprintf (stderr, "%s: '--input' ('-i') option required\n", CMDLINE_PARSER_PACKAGE);
375	<	missing_required_options = 1;
1580	>	error += cmdline_parser_required2 (args_info, argv[0], additional_error);
1581		}
377	–	if ( missing_required_options )
378	–	exit (EXIT_FAILURE);
1582
1583	+	cmdline_parser_release (&local_args_info);
1584	+
1585	+	if ( error )
1586	+	return (EXIT_FAILURE);
1587	+
1588	+	if (optind < argc)
1589	+	{
1590	+	int i = 0 ;
1591	+	int found_prog_name = 0;
1592	+	/* whether program name, i.e., argv[0], is in the remaining args
1593	+	(this may happen with some implementations of getopt,
1594	+	but surely not with the one included by gengetopt) */
1595	+
1596	+	i = optind;
1597	+	while (i < argc)
1598	+	if (argv[i++] == argv[0]) {
1599	+	found_prog_name = 1;
1600	+	break;
1601	+	}
1602	+	i = 0;
1603	+
1604	+	args_info->inputs_num = argc - optind - found_prog_name;
1605	+	args_info->inputs =
1606	+	(char **)(malloc ((args_info->inputs_num)*sizeof(char *))) ;
1607	+	while (optind < argc)
1608	+	if (argv[optind++] != argv[0])
1609	+	args_info->inputs[ i++ ] = gengetopt_strdup (argv[optind-1]) ;
1610	+	}
1611	+
1612		return 0;
1613	+
1614	+	failure:
1615	+
1616	+	cmdline_parser_release (&local_args_info);
1617	+	return (EXIT_FAILURE);
1618		}

Comparing trunk/src/applications/staticProps/StaticPropsCmd.c (property svn:keywords):
Revision 543 by tim, Thu May 26 22:45:00 2005 UTC vs.
Revision 1531 by kstocke1, Wed Dec 29 16:48:19 2010 UTC

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

Diff Legend

–	Removed lines
+	Added lines
<	Changed lines
>	Changed lines