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

Comparing trunk/src/applications/staticProps/StaticPropsCmd.c (file contents):
Revision 544 by tim, Fri May 27 04:41:34 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	<	void
26	<	cmdline_parser_print_version (void)
27	<	{
28	<	printf ("%s %s\n", CMDLINE_PARSER_PACKAGE, CMDLINE_PARSER_VERSION);
29	<	}
28	>	const char *gengetopt_args_info_purpose = "";
29
30	<	void
32	<	cmdline_parser_print_help (void)
33	<	{
34	<	cmdline_parser_print_version ();
35	<	printf("\n"
36	<	"Usage: %s [OPTIONS]...\n", CMDLINE_PARSER_PACKAGE);
37	<	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 the first stuntdouble set\n");
47	<	printf("      --sele2=selection script    select the second stuntdouble set\n");
48	<	printf("      --sele3=selection script    select the third stuntdouble set\n");
49	<	printf("      --refsele=selection script  select reference (use and only use with \n                                    --gxyz)\n");
50	<	printf("      --molname=STRING            molecule name\n");
51	<	printf("      --begin=INT                 begin interanl index\n");
52	<	printf("      --end=INT                   end internal index\n");
53	<	printf("\n");
54	<	printf(" Group: staticProps  an option of this group is required\n");
55	<	printf("      --gofr                      g(r)\n");
56	<	printf("      --r_theta                   g(r, cos(theta))\n");
57	<	printf("      --r_omega                   g(r, cos(omega))\n");
58	<	printf("      --theta_omega               g(cos(theta), cos(omega))\n");
59	<	printf("      --gxyz                      g(x, y, z)\n");
60	<	printf("      --p2                        p2 order parameter (--sele1 and --sele2 must \n                                    be specified)\n");
61	<	printf("      --scd                       scd order parameter(either --sele1, --sele2, \n                                    --sele3 are specified or --molname, \n                                    --begin, --end are specified)\n");
62	<	}
30	>	const char *gengetopt_args_info_usage = "Usage: StaticProps [OPTIONS]... [FILES]...";
31
32	+	const char *gengetopt_args_info_description = "";
33
34	<	static char *gengetopt_strdup (const char *s);
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	<	/* gengetopt_strdup() */
87	<	/* strdup.c replacement of strdup, which is not standard */
88	<	char *
89	<	gengetopt_strdup (const char *s)
90	<	{
72	<	char *result = (char*)malloc(strlen(s) + 1);
73	<	if (result == (char*)0)
74	<	return (char*)0;
75	<	strcpy(result, s);
76	<	return result;
77	<	}
86	>	typedef enum {ARG_NO
87	>	, ARG_STRING
88	>	, ARG_INT
89	>	, ARG_DOUBLE
90	>	} cmdline_parser_arg_type;
91
92	<	int
93	<	cmdline_parser (int argc, char * const *argv, struct gengetopt_args_info *args_info)
94	<	{
95	<	int c;        /* Character of the parsed option.  */
83	<	int missing_required_options = 0;
84	<	int staticProps_group_counter = 0;
85	<
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->nrbins_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	<	#define clear_args() { \
150	<	args_info->input_arg = NULL; \
151	<	args_info->output_arg = NULL; \
152	<	args_info->step_arg = 1 ;\
153	<	args_info->nrbins_arg = 100 ;\
154	<	args_info->nanglebins_arg = 50 ;\
155	<	args_info->sele1_arg = NULL; \
156	<	args_info->sele2_arg = NULL; \
157	<	args_info->sele3_arg = NULL; \
118	<	args_info->refsele_arg = NULL; \
119	<	args_info->molname_arg = NULL; \
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	<	clear_args();
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",
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	>	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	>	args_info->inputs = 0;
299	>	args_info->inputs_num = 0;
300	>	}
301	>
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 = 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	>	static void
546	>	reset_group_staticProps(struct gengetopt_args_info *args_info)
547	>	{
548	>	if (! args_info->staticProps_group_counter)
549	>	return;
550	>
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	>	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	>	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;
132	–	char *stop_char;
817
818		static struct option long_options[] = {
819		{ "help",       0, NULL, 'h' },
#	Line 137 | 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	+	{ "comsele",    1, NULL, 0 },
839		{ "molname",    1, NULL, 0 },
840		{ "begin",      1, NULL, 0 },
841		{ "end",        1, NULL, 0 },
842	<	{ "gofr",       0, 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	<	{ "scd",        0, NULL, 0 },
856	<	{ 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;
161	<	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.  */
168	–	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.  */
173	–	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;
187	–
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;
198	–
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
243	–
1069		case 0: /* Long option with no short option */
1070	<	/* select the 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	+
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		{
262	–	if (args_info->sele2_given)
263	–	{
264	–	fprintf (stderr, "%s: `--sele2' option given more than once\n", CMDLINE_PARSER_PACKAGE);
265	–	clear_args ();
266	–	exit (EXIT_FAILURE);
267	–	}
268	–	args_info->sele2_given = 1;
269	–	args_info->sele2_arg = gengetopt_strdup (optarg);
270	–	break;
271	–	}
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		{
276	–	if (args_info->sele3_given)
277	–	{
278	–	fprintf (stderr, "%s: `--sele3' option given more than once\n", CMDLINE_PARSER_PACKAGE);
279	–	clear_args ();
280	–	exit (EXIT_FAILURE);
281	–	}
282	–	args_info->sele3_given = 1;
283	–	args_info->sele3_arg = gengetopt_strdup (optarg);
284	–	break;
285	–	}
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	+
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		{
304	–	if (args_info->molname_given)
305	–	{
306	–	fprintf (stderr, "%s: `--molname' option given more than once\n", CMDLINE_PARSER_PACKAGE);
307	–	clear_args ();
308	–	exit (EXIT_FAILURE);
309	–	}
310	–	args_info->molname_given = 1;
311	–	args_info->molname_arg = gengetopt_strdup (optarg);
312	–	break;
313	–	}
1199
1200	<	/* begin interanl index.  */
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		{
318	–	if (args_info->begin_given)
319	–	{
320	–	fprintf (stderr, "%s: `--begin' option given more than once\n", CMDLINE_PARSER_PACKAGE);
321	–	clear_args ();
322	–	exit (EXIT_FAILURE);
323	–	}
324	–	args_info->begin_given = 1;
325	–	args_info->begin_arg = strtol (optarg,&stop_char,0);
326	–	break;
327	–	}
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		{
332	–	if (args_info->end_given)
333	–	{
334	–	fprintf (stderr, "%s: `--end' option given more than once\n", CMDLINE_PARSER_PACKAGE);
335	–	clear_args ();
336	–	exit (EXIT_FAILURE);
337	–	}
338	–	args_info->end_given = 1;
339	–	args_info->end_arg = strtol (optarg,&stop_char,0);
340	–	break;
341	–	}
1227
1228	<	/* g(r).  */
1229	<	else if (strcmp (long_options[option_index].name, "gofr") == 0)
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		{
346	–	if (args_info->gofr_given)
347	–	{
348	–	fprintf (stderr, "%s: `--gofr' option given more than once\n", CMDLINE_PARSER_PACKAGE);
349	–	clear_args ();
350	–	exit (EXIT_FAILURE);
351	–	}
352	–	args_info->gofr_given = 1; staticProps_group_counter += 1;
1241
1242	<	break;
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		{
360	–	if (args_info->r_theta_given)
361	–	{
362	–	fprintf (stderr, "%s: `--r_theta' option given more than once\n", CMDLINE_PARSER_PACKAGE);
363	–	clear_args ();
364	–	exit (EXIT_FAILURE);
365	–	}
366	–	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		{
374	–	if (args_info->r_omega_given)
375	–	{
376	–	fprintf (stderr, "%s: `--r_omega' option given more than once\n", CMDLINE_PARSER_PACKAGE);
377	–	clear_args ();
378	–	exit (EXIT_FAILURE);
379	–	}
380	–	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		{
388	–	if (args_info->theta_omega_given)
389	–	{
390	–	fprintf (stderr, "%s: `--theta_omega' option given more than once\n", CMDLINE_PARSER_PACKAGE);
391	–	clear_args ();
392	–	exit (EXIT_FAILURE);
393	–	}
394	–	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		{
402	–	if (args_info->gxyz_given)
403	–	{
404	–	fprintf (stderr, "%s: `--gxyz' option given more than once\n", CMDLINE_PARSER_PACKAGE);
405	–	clear_args ();
406	–	exit (EXIT_FAILURE);
407	–	}
408	–	args_info->gxyz_given = 1; staticProps_group_counter += 1;
1408
1409	<	break;
1410	<	}
1409	>	if (args_info->staticProps_group_counter && override)
1410	>	reset_group_staticProps (args_info);
1411	>	args_info->staticProps_group_counter += 1;
1412
1413	<	/* p2 order parameter (--sele1 and --sele2 must be specified).  */
1414	<	else if (strcmp (long_options[option_index].name, "p2") == 0)
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	>	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		{
416	–	if (args_info->p2_given)
417	–	{
418	–	fprintf (stderr, "%s: `--p2' option given more than once\n", CMDLINE_PARSER_PACKAGE);
419	–	clear_args ();
420	–	exit (EXIT_FAILURE);
421	–	}
422	–	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	<	/* scd order parameter(either --sele1, --sele2, --sele3 are specified or --molname, --begin, --end are specified).  */
1461	<	else if (strcmp (long_options[option_index].name, "scd") == 0)
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		{
430	–	if (args_info->scd_given)
431	–	{
432	–	fprintf (stderr, "%s: `--scd' option given more than once\n", CMDLINE_PARSER_PACKAGE);
433	–	clear_args ();
434	–	exit (EXIT_FAILURE);
435	–	}
436	–	args_info->scd_given = 1; staticProps_group_counter += 1;
1476
1477	<	break;
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	<
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);
462	<	missing_required_options = 1;
1580	>	error += cmdline_parser_required2 (args_info, argv[0], additional_error);
1581		}
464	–	if ( missing_required_options )
465	–	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 544 by tim, Fri May 27 04:41:34 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