[ViewVC] Diff of: OpenMD/trunk/src/applications/staticProps/StaticPropsCmd.cpp

Comparing:
trunk/src/applications/staticProps/StaticPropsCmd.c (file contents), Revision 1180 by chuckv, Mon Sep 17 20:05:51 2007 UTC vs.
branches/development/src/applications/staticProps/StaticPropsCmd.c (file contents), Revision 1629 by gezelter, Wed Sep 14 21:15:17 2011 UTC

#	Line 1 \| Line 1
1		/*
2	<	File autogenerated by gengetopt version 2.19.1
2	>	File autogenerated by gengetopt version 2.22.4
3		generated with the following command:
4	<	gengetopt --file-name=StaticPropsCmd -u
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:
#	Line 17 \| Line 17
17		#include <stdlib.h>
18		#include <string.h>
19
20	<	#include "getopt.h"
20	>	#ifndef FIX_UNUSED
21	>	#define FIX_UNUSED(X) (void) (X) /* avoid warnings for unused params */
22	>	#endif
23
24	+	#include <getopt.h>
25	+
26		#include "StaticPropsCmd.h"
27
28		const char *gengetopt_args_info_purpose = "";
#	Line 36 \| Line 40 \| *const char gengetopt_args_info_help[] = {**
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')",
40	–	" --length=DOUBLE maximum length (Defaults to 1/2 smallest length \n of first frame)",
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",
#	Line 52 \| Line 60 \| *const char gengetopt_args_info_help[] = {**
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	<	" -p, --p2 p2 order parameter (--sele1 and --sele2 must be \n specified)",
71	>	" --twodgofr 2D g(r) (Slab width --dz must be specified)",
72	>	" -p, --p2 p2 order parameter (--sele1 must be specified, \n --sele2 is optional)",
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	+	" --rodlength length of nanorod",
83	+	" -Q, --tet_param tetrahedrality order parameter",
84		0
85		};
86
87	+	typedef enum {ARG_NO
88	+	, ARG_STRING
89	+	, ARG_INT
90	+	, ARG_DOUBLE
91	+	} cmdline_parser_arg_type;
92	+
93		static
94		void clear_given (struct gengetopt_args_info *args_info);
95		static
96		void clear_args (struct gengetopt_args_info *args_info);
97
98		static int
99	<	cmdline_parser_internal (int argc, char * const argv, struct gengetopt_args_info args_info, int override, int initialize, int check_required, const char *additional_error);
99	>	cmdline_parser_internal (int argc, char *argv, struct gengetopt_args_info args_info,
100	>	struct cmdline_parser_params params, const char additional_error);
101
102		static int
103		cmdline_parser_required2 (struct gengetopt_args_info args_info, const char prog_name, const char *additional_error);
#	Line 93 \| Line 116 \| *void clear_given (struct gengetopt_args_info args_inf**
116		args_info->nbins_given = 0 ;
117		args_info->nbins_x_given = 0 ;
118		args_info->nbins_y_given = 0 ;
119	+	args_info->nbins_z_given = 0 ;
120		args_info->nanglebins_given = 0 ;
97	–	args_info->length_given = 0 ;
121		args_info->rcut_given = 0 ;
122	+	args_info->dz_given = 0 ;
123	+	args_info->length_given = 0 ;
124	+	args_info->zlength_given = 0 ;
125		args_info->zoffset_given = 0 ;
126		args_info->sele1_given = 0 ;
127		args_info->sele2_given = 0 ;
128		args_info->sele3_given = 0 ;
129		args_info->refsele_given = 0 ;
130	+	args_info->comsele_given = 0 ;
131		args_info->molname_given = 0 ;
132		args_info->begin_given = 0 ;
133		args_info->end_given = 0 ;
#	Line 108 \| Line 135 \| *void clear_given (struct gengetopt_args_info args_inf**
135		args_info->bo_given = 0 ;
136		args_info->bor_given = 0 ;
137		args_info->bad_given = 0 ;
138	+	args_info->count_given = 0 ;
139		args_info->gofr_given = 0 ;
140	+	args_info->gofz_given = 0 ;
141		args_info->r_theta_given = 0 ;
142		args_info->r_omega_given = 0 ;
143	+	args_info->r_z_given = 0 ;
144		args_info->theta_omega_given = 0 ;
145		args_info->gxyz_given = 0 ;
146	+	args_info->twodgofr_given = 0 ;
147		args_info->p2_given = 0 ;
148		args_info->rp2_given = 0 ;
149		args_info->scd_given = 0 ;
150		args_info->density_given = 0 ;
151		args_info->slab_density_given = 0 ;
152	+	args_info->p_angle_given = 0 ;
153		args_info->hxy_given = 0 ;
154		args_info->rho_r_given = 0 ;
155	+	args_info->angle_r_given = 0 ;
156		args_info->hullvol_given = 0 ;
157	+	args_info->rodlength_given = 0 ;
158	+	args_info->tet_param_given = 0 ;
159		args_info->staticProps_group_counter = 0 ;
160		}
161
162		static
163		void clear_args (struct gengetopt_args_info *args_info)
164		{
165	+	FIX_UNUSED (args_info);
166		args_info->input_arg = NULL;
167		args_info->input_orig = NULL;
168		args_info->output_arg = NULL;
#	Line 139 \| Line 175 \| *void clear_args (struct gengetopt_args_info args_info**
175		args_info->nbins_x_orig = NULL;
176		args_info->nbins_y_arg = 100;
177		args_info->nbins_y_orig = NULL;
178	+	args_info->nbins_z_arg = 100;
179	+	args_info->nbins_z_orig = NULL;
180		args_info->nanglebins_arg = 50;
181		args_info->nanglebins_orig = NULL;
144	–	args_info->length_orig = NULL;
182		args_info->rcut_orig = NULL;
183	+	args_info->dz_orig = NULL;
184	+	args_info->length_orig = NULL;
185	+	args_info->zlength_orig = NULL;
186		args_info->zoffset_arg = 0;
187		args_info->zoffset_orig = NULL;
188		args_info->sele1_arg = NULL;
#	Line 153 \| Line 193 \| *void clear_args (struct gengetopt_args_info args_info**
193		args_info->sele3_orig = NULL;
194		args_info->refsele_arg = NULL;
195		args_info->refsele_orig = NULL;
196	+	args_info->comsele_arg = NULL;
197	+	args_info->comsele_orig = NULL;
198		args_info->molname_arg = NULL;
199		args_info->molname_orig = NULL;
200		args_info->begin_orig = NULL;
#	Line 164 \| Line 206 \| *void init_args_info(struct gengetopt_args_info args_i**
206		static
207		void init_args_info(struct gengetopt_args_info *args_info)
208		{
209	+
210	+
211		args_info->help_help = gengetopt_args_info_help[0] ;
212		args_info->version_help = gengetopt_args_info_help[1] ;
213		args_info->input_help = gengetopt_args_info_help[2] ;
#	Line 172 \| Line 216 \| *void init_args_info(struct gengetopt_args_info args_i**
216		args_info->nbins_help = gengetopt_args_info_help[5] ;
217		args_info->nbins_x_help = gengetopt_args_info_help[6] ;
218		args_info->nbins_y_help = gengetopt_args_info_help[7] ;
219	<	args_info->nanglebins_help = gengetopt_args_info_help[8] ;
220	<	args_info->length_help = gengetopt_args_info_help[9] ;
219	>	args_info->nbins_z_help = gengetopt_args_info_help[8] ;
220	>	args_info->nanglebins_help = gengetopt_args_info_help[9] ;
221		args_info->rcut_help = gengetopt_args_info_help[10] ;
222	<	args_info->zoffset_help = gengetopt_args_info_help[11] ;
223	<	args_info->sele1_help = gengetopt_args_info_help[12] ;
224	<	args_info->sele2_help = gengetopt_args_info_help[13] ;
225	<	args_info->sele3_help = gengetopt_args_info_help[14] ;
226	<	args_info->refsele_help = gengetopt_args_info_help[15] ;
227	<	args_info->molname_help = gengetopt_args_info_help[16] ;
228	<	args_info->begin_help = gengetopt_args_info_help[17] ;
229	<	args_info->end_help = gengetopt_args_info_help[18] ;
230	<	args_info->radius_help = gengetopt_args_info_help[19] ;
231	<	args_info->bo_help = gengetopt_args_info_help[20] ;
232	<	args_info->bor_help = gengetopt_args_info_help[21] ;
233	<	args_info->bad_help = gengetopt_args_info_help[22] ;
234	<	args_info->gofr_help = gengetopt_args_info_help[23] ;
235	<	args_info->r_theta_help = gengetopt_args_info_help[24] ;
236	<	args_info->r_omega_help = gengetopt_args_info_help[25] ;
237	<	args_info->theta_omega_help = gengetopt_args_info_help[26] ;
238	<	args_info->gxyz_help = gengetopt_args_info_help[27] ;
239	<	args_info->p2_help = gengetopt_args_info_help[28] ;
240	<	args_info->rp2_help = gengetopt_args_info_help[29] ;
241	<	args_info->scd_help = gengetopt_args_info_help[30] ;
242	<	args_info->density_help = gengetopt_args_info_help[31] ;
243	<	args_info->slab_density_help = gengetopt_args_info_help[32] ;
244	<	args_info->hxy_help = gengetopt_args_info_help[33] ;
245	<	args_info->rho_r_help = gengetopt_args_info_help[34] ;
246	<	args_info->hullvol_help = gengetopt_args_info_help[35] ;
222	>	args_info->dz_help = gengetopt_args_info_help[11] ;
223	>	args_info->length_help = gengetopt_args_info_help[12] ;
224	>	args_info->zlength_help = gengetopt_args_info_help[13] ;
225	>	args_info->zoffset_help = gengetopt_args_info_help[14] ;
226	>	args_info->sele1_help = gengetopt_args_info_help[15] ;
227	>	args_info->sele2_help = gengetopt_args_info_help[16] ;
228	>	args_info->sele3_help = gengetopt_args_info_help[17] ;
229	>	args_info->refsele_help = gengetopt_args_info_help[18] ;
230	>	args_info->comsele_help = gengetopt_args_info_help[19] ;
231	>	args_info->molname_help = gengetopt_args_info_help[20] ;
232	>	args_info->begin_help = gengetopt_args_info_help[21] ;
233	>	args_info->end_help = gengetopt_args_info_help[22] ;
234	>	args_info->radius_help = gengetopt_args_info_help[23] ;
235	>	args_info->bo_help = gengetopt_args_info_help[25] ;
236	>	args_info->bor_help = gengetopt_args_info_help[26] ;
237	>	args_info->bad_help = gengetopt_args_info_help[27] ;
238	>	args_info->count_help = gengetopt_args_info_help[28] ;
239	>	args_info->gofr_help = gengetopt_args_info_help[29] ;
240	>	args_info->gofz_help = gengetopt_args_info_help[30] ;
241	>	args_info->r_theta_help = gengetopt_args_info_help[31] ;
242	>	args_info->r_omega_help = gengetopt_args_info_help[32] ;
243	>	args_info->r_z_help = gengetopt_args_info_help[33] ;
244	>	args_info->theta_omega_help = gengetopt_args_info_help[34] ;
245	>	args_info->gxyz_help = gengetopt_args_info_help[35] ;
246	>	args_info->twodgofr_help = gengetopt_args_info_help[36] ;
247	>	args_info->p2_help = gengetopt_args_info_help[37] ;
248	>	args_info->rp2_help = gengetopt_args_info_help[38] ;
249	>	args_info->scd_help = gengetopt_args_info_help[39] ;
250	>	args_info->density_help = gengetopt_args_info_help[40] ;
251	>	args_info->slab_density_help = gengetopt_args_info_help[41] ;
252	>	args_info->p_angle_help = gengetopt_args_info_help[42] ;
253	>	args_info->hxy_help = gengetopt_args_info_help[43] ;
254	>	args_info->rho_r_help = gengetopt_args_info_help[44] ;
255	>	args_info->angle_r_help = gengetopt_args_info_help[45] ;
256	>	args_info->hullvol_help = gengetopt_args_info_help[46] ;
257	>	args_info->rodlength_help = gengetopt_args_info_help[47] ;
258	>	args_info->tet_param_help = gengetopt_args_info_help[48] ;
259
260		}
261
262		void
263		cmdline_parser_print_version (void)
264		{
265	<	printf ("%s %s\n", CMDLINE_PARSER_PACKAGE, CMDLINE_PARSER_VERSION);
265	>	printf ("%s %s\n",
266	>	(strlen(CMDLINE_PARSER_PACKAGE_NAME) ? CMDLINE_PARSER_PACKAGE_NAME : CMDLINE_PARSER_PACKAGE),
267	>	CMDLINE_PARSER_VERSION);
268		}
269
270	<	void
213	<	cmdline_parser_print_help (void)
214	<	{
215	<	int i = 0;
270	>	static void print_help_common(void) {
271		cmdline_parser_print_version ();
272
273		if (strlen(gengetopt_args_info_purpose) > 0)
274		printf("\n%s\n", gengetopt_args_info_purpose);
275
276	<	printf("\n%s\n\n", gengetopt_args_info_usage);
276	>	if (strlen(gengetopt_args_info_usage) > 0)
277	>	printf("\n%s\n", gengetopt_args_info_usage);
278
279	+	printf("\n");
280	+
281		if (strlen(gengetopt_args_info_description) > 0)
282	<	printf("%s\n", gengetopt_args_info_description);
282	>	printf("%s\n\n", gengetopt_args_info_description);
283	>	}
284
285	+	void
286	+	cmdline_parser_print_help (void)
287	+	{
288	+	int i = 0;
289	+	print_help_common();
290		while (gengetopt_args_info_help[i])
291		printf("%s\n", gengetopt_args_info_help[i++]);
292		}
#	Line 234 \| Line 298 \| *cmdline_parser_init (struct gengetopt_args_info args_**
298		clear_args (args_info);
299		init_args_info (args_info);
300
301	<	args_info->inputs = NULL;
301	>	args_info->inputs = 0;
302		args_info->inputs_num = 0;
303		}
304
305	+	void
306	+	cmdline_parser_params_init(struct cmdline_parser_params *params)
307	+	{
308	+	if (params)
309	+	{
310	+	params->override = 0;
311	+	params->initialize = 1;
312	+	params->check_required = 1;
313	+	params->check_ambiguity = 0;
314	+	params->print_errors = 1;
315	+	}
316	+	}
317	+
318	+	struct cmdline_parser_params *
319	+	cmdline_parser_params_create(void)
320	+	{
321	+	struct cmdline_parser_params *params =
322	+	(struct cmdline_parser_params *)malloc(sizeof(struct cmdline_parser_params));
323	+	cmdline_parser_params_init(params);
324	+	return params;
325	+	}
326	+
327		static void
328	<	cmdline_parser_release (struct gengetopt_args_info *args_info)
328	>	free_string_field (char **s)
329		{
330	<
245	<	unsigned int i;
246	<	if (args_info->input_arg)
330	>	if (*s)
331		{
332	<	free (args_info->input_arg); /* free previous argument */
333	<	args_info->input_arg = 0;
332	>	free (*s);
333	>	*s = 0;
334		}
335	<	if (args_info->input_orig)
336	<	{
337	<	free (args_info->input_orig); /* free previous argument */
338	<	args_info->input_orig = 0;
339	<	}
340	<	if (args_info->output_arg)
341	<	{
342	<	free (args_info->output_arg); /* free previous argument */
343	<	args_info->output_arg = 0;
344	<	}
345	<	if (args_info->output_orig)
346	<	{
347	<	free (args_info->output_orig); /* free previous argument */
348	<	args_info->output_orig = 0;
349	<	}
350	<	if (args_info->step_orig)
351	<	{
352	<	free (args_info->step_orig); /* free previous argument */
353	<	args_info->step_orig = 0;
354	<	}
355	<	if (args_info->nbins_orig)
356	<	{
357	<	free (args_info->nbins_orig); /* free previous argument */
358	<	args_info->nbins_orig = 0;
359	<	}
360	<	if (args_info->nbins_x_orig)
361	<	{
362	<	free (args_info->nbins_x_orig); /* free previous argument */
363	<	args_info->nbins_x_orig = 0;
364	<	}
365	<	if (args_info->nbins_y_orig)
366	<	{
367	<	free (args_info->nbins_y_orig); /* free previous argument */
368	<	args_info->nbins_y_orig = 0;
369	<	}
370	<	if (args_info->nanglebins_orig)
371	<	{
288	<	free (args_info->nanglebins_orig); /* free previous argument */
289	<	args_info->nanglebins_orig = 0;
290	<	}
291	<	if (args_info->length_orig)
292	<	{
293	<	free (args_info->length_orig); /* free previous argument */
294	<	args_info->length_orig = 0;
295	<	}
296	<	if (args_info->rcut_orig)
297	<	{
298	<	free (args_info->rcut_orig); /* free previous argument */
299	<	args_info->rcut_orig = 0;
300	<	}
301	<	if (args_info->zoffset_orig)
302	<	{
303	<	free (args_info->zoffset_orig); /* free previous argument */
304	<	args_info->zoffset_orig = 0;
305	<	}
306	<	if (args_info->sele1_arg)
307	<	{
308	<	free (args_info->sele1_arg); /* free previous argument */
309	<	args_info->sele1_arg = 0;
310	<	}
311	<	if (args_info->sele1_orig)
312	<	{
313	<	free (args_info->sele1_orig); /* free previous argument */
314	<	args_info->sele1_orig = 0;
315	<	}
316	<	if (args_info->sele2_arg)
317	<	{
318	<	free (args_info->sele2_arg); /* free previous argument */
319	<	args_info->sele2_arg = 0;
320	<	}
321	<	if (args_info->sele2_orig)
322	<	{
323	<	free (args_info->sele2_orig); /* free previous argument */
324	<	args_info->sele2_orig = 0;
325	<	}
326	<	if (args_info->sele3_arg)
327	<	{
328	<	free (args_info->sele3_arg); /* free previous argument */
329	<	args_info->sele3_arg = 0;
330	<	}
331	<	if (args_info->sele3_orig)
332	<	{
333	<	free (args_info->sele3_orig); /* free previous argument */
334	<	args_info->sele3_orig = 0;
335	<	}
336	<	if (args_info->refsele_arg)
337	<	{
338	<	free (args_info->refsele_arg); /* free previous argument */
339	<	args_info->refsele_arg = 0;
340	<	}
341	<	if (args_info->refsele_orig)
342	<	{
343	<	free (args_info->refsele_orig); /* free previous argument */
344	<	args_info->refsele_orig = 0;
345	<	}
346	<	if (args_info->molname_arg)
347	<	{
348	<	free (args_info->molname_arg); /* free previous argument */
349	<	args_info->molname_arg = 0;
350	<	}
351	<	if (args_info->molname_orig)
352	<	{
353	<	free (args_info->molname_orig); /* free previous argument */
354	<	args_info->molname_orig = 0;
355	<	}
356	<	if (args_info->begin_orig)
357	<	{
358	<	free (args_info->begin_orig); /* free previous argument */
359	<	args_info->begin_orig = 0;
360	<	}
361	<	if (args_info->end_orig)
362	<	{
363	<	free (args_info->end_orig); /* free previous argument */
364	<	args_info->end_orig = 0;
365	<	}
366	<	if (args_info->radius_orig)
367	<	{
368	<	free (args_info->radius_orig); /* free previous argument */
369	<	args_info->radius_orig = 0;
370	<	}
335	>	}
336	>
337	>
338	>	static void
339	>	cmdline_parser_release (struct gengetopt_args_info *args_info)
340	>	{
341	>	unsigned int i;
342	>	free_string_field (&(args_info->input_arg));
343	>	free_string_field (&(args_info->input_orig));
344	>	free_string_field (&(args_info->output_arg));
345	>	free_string_field (&(args_info->output_orig));
346	>	free_string_field (&(args_info->step_orig));
347	>	free_string_field (&(args_info->nbins_orig));
348	>	free_string_field (&(args_info->nbins_x_orig));
349	>	free_string_field (&(args_info->nbins_y_orig));
350	>	free_string_field (&(args_info->nbins_z_orig));
351	>	free_string_field (&(args_info->nanglebins_orig));
352	>	free_string_field (&(args_info->rcut_orig));
353	>	free_string_field (&(args_info->dz_orig));
354	>	free_string_field (&(args_info->length_orig));
355	>	free_string_field (&(args_info->zlength_orig));
356	>	free_string_field (&(args_info->zoffset_orig));
357	>	free_string_field (&(args_info->sele1_arg));
358	>	free_string_field (&(args_info->sele1_orig));
359	>	free_string_field (&(args_info->sele2_arg));
360	>	free_string_field (&(args_info->sele2_orig));
361	>	free_string_field (&(args_info->sele3_arg));
362	>	free_string_field (&(args_info->sele3_orig));
363	>	free_string_field (&(args_info->refsele_arg));
364	>	free_string_field (&(args_info->refsele_orig));
365	>	free_string_field (&(args_info->comsele_arg));
366	>	free_string_field (&(args_info->comsele_orig));
367	>	free_string_field (&(args_info->molname_arg));
368	>	free_string_field (&(args_info->molname_orig));
369	>	free_string_field (&(args_info->begin_orig));
370	>	free_string_field (&(args_info->end_orig));
371	>	free_string_field (&(args_info->radius_orig));
372
373	+
374		for (i = 0; i < args_info->inputs_num; ++i)
375		free (args_info->inputs [i]);
376	<
376	>
377		if (args_info->inputs_num)
378		free (args_info->inputs);
379	<
379	>
380		clear_given (args_info);
381		}
382
383	+
384	+	static void
385	+	write_into_file(FILE outfile, const char opt, const char arg, const char values[])
386	+	{
387	+	FIX_UNUSED (values);
388	+	if (arg) {
389	+	fprintf(outfile, "%s=\"%s\"\n", opt, arg);
390	+	} else {
391	+	fprintf(outfile, "%s\n", opt);
392	+	}
393	+	}
394	+
395	+
396		int
397	+	cmdline_parser_dump(FILE outfile, struct gengetopt_args_info args_info)
398	+	{
399	+	int i = 0;
400	+
401	+	if (!outfile)
402	+	{
403	+	fprintf (stderr, "%s: cannot dump options to stream\n", CMDLINE_PARSER_PACKAGE);
404	+	return EXIT_FAILURE;
405	+	}
406	+
407	+	if (args_info->help_given)
408	+	write_into_file(outfile, "help", 0, 0 );
409	+	if (args_info->version_given)
410	+	write_into_file(outfile, "version", 0, 0 );
411	+	if (args_info->input_given)
412	+	write_into_file(outfile, "input", args_info->input_orig, 0);
413	+	if (args_info->output_given)
414	+	write_into_file(outfile, "output", args_info->output_orig, 0);
415	+	if (args_info->step_given)
416	+	write_into_file(outfile, "step", args_info->step_orig, 0);
417	+	if (args_info->nbins_given)
418	+	write_into_file(outfile, "nbins", args_info->nbins_orig, 0);
419	+	if (args_info->nbins_x_given)
420	+	write_into_file(outfile, "nbins_x", args_info->nbins_x_orig, 0);
421	+	if (args_info->nbins_y_given)
422	+	write_into_file(outfile, "nbins_y", args_info->nbins_y_orig, 0);
423	+	if (args_info->nbins_z_given)
424	+	write_into_file(outfile, "nbins_z", args_info->nbins_z_orig, 0);
425	+	if (args_info->nanglebins_given)
426	+	write_into_file(outfile, "nanglebins", args_info->nanglebins_orig, 0);
427	+	if (args_info->rcut_given)
428	+	write_into_file(outfile, "rcut", args_info->rcut_orig, 0);
429	+	if (args_info->dz_given)
430	+	write_into_file(outfile, "dz", args_info->dz_orig, 0);
431	+	if (args_info->length_given)
432	+	write_into_file(outfile, "length", args_info->length_orig, 0);
433	+	if (args_info->zlength_given)
434	+	write_into_file(outfile, "zlength", args_info->zlength_orig, 0);
435	+	if (args_info->zoffset_given)
436	+	write_into_file(outfile, "zoffset", args_info->zoffset_orig, 0);
437	+	if (args_info->sele1_given)
438	+	write_into_file(outfile, "sele1", args_info->sele1_orig, 0);
439	+	if (args_info->sele2_given)
440	+	write_into_file(outfile, "sele2", args_info->sele2_orig, 0);
441	+	if (args_info->sele3_given)
442	+	write_into_file(outfile, "sele3", args_info->sele3_orig, 0);
443	+	if (args_info->refsele_given)
444	+	write_into_file(outfile, "refsele", args_info->refsele_orig, 0);
445	+	if (args_info->comsele_given)
446	+	write_into_file(outfile, "comsele", args_info->comsele_orig, 0);
447	+	if (args_info->molname_given)
448	+	write_into_file(outfile, "molname", args_info->molname_orig, 0);
449	+	if (args_info->begin_given)
450	+	write_into_file(outfile, "begin", args_info->begin_orig, 0);
451	+	if (args_info->end_given)
452	+	write_into_file(outfile, "end", args_info->end_orig, 0);
453	+	if (args_info->radius_given)
454	+	write_into_file(outfile, "radius", args_info->radius_orig, 0);
455	+	if (args_info->bo_given)
456	+	write_into_file(outfile, "bo", 0, 0 );
457	+	if (args_info->bor_given)
458	+	write_into_file(outfile, "bor", 0, 0 );
459	+	if (args_info->bad_given)
460	+	write_into_file(outfile, "bad", 0, 0 );
461	+	if (args_info->count_given)
462	+	write_into_file(outfile, "count", 0, 0 );
463	+	if (args_info->gofr_given)
464	+	write_into_file(outfile, "gofr", 0, 0 );
465	+	if (args_info->gofz_given)
466	+	write_into_file(outfile, "gofz", 0, 0 );
467	+	if (args_info->r_theta_given)
468	+	write_into_file(outfile, "r_theta", 0, 0 );
469	+	if (args_info->r_omega_given)
470	+	write_into_file(outfile, "r_omega", 0, 0 );
471	+	if (args_info->r_z_given)
472	+	write_into_file(outfile, "r_z", 0, 0 );
473	+	if (args_info->theta_omega_given)
474	+	write_into_file(outfile, "theta_omega", 0, 0 );
475	+	if (args_info->gxyz_given)
476	+	write_into_file(outfile, "gxyz", 0, 0 );
477	+	if (args_info->twodgofr_given)
478	+	write_into_file(outfile, "twodgofr", 0, 0 );
479	+	if (args_info->p2_given)
480	+	write_into_file(outfile, "p2", 0, 0 );
481	+	if (args_info->rp2_given)
482	+	write_into_file(outfile, "rp2", 0, 0 );
483	+	if (args_info->scd_given)
484	+	write_into_file(outfile, "scd", 0, 0 );
485	+	if (args_info->density_given)
486	+	write_into_file(outfile, "density", 0, 0 );
487	+	if (args_info->slab_density_given)
488	+	write_into_file(outfile, "slab_density", 0, 0 );
489	+	if (args_info->p_angle_given)
490	+	write_into_file(outfile, "p_angle", 0, 0 );
491	+	if (args_info->hxy_given)
492	+	write_into_file(outfile, "hxy", 0, 0 );
493	+	if (args_info->rho_r_given)
494	+	write_into_file(outfile, "rho_r", 0, 0 );
495	+	if (args_info->angle_r_given)
496	+	write_into_file(outfile, "angle_r", 0, 0 );
497	+	if (args_info->hullvol_given)
498	+	write_into_file(outfile, "hullvol", 0, 0 );
499	+	if (args_info->rodlength_given)
500	+	write_into_file(outfile, "rodlength", 0, 0 );
501	+	if (args_info->tet_param_given)
502	+	write_into_file(outfile, "tet_param", 0, 0 );
503	+
504	+
505	+	i = EXIT_SUCCESS;
506	+	return i;
507	+	}
508	+
509	+	int
510		cmdline_parser_file_save(const char filename, struct gengetopt_args_info args_info)
511		{
512		FILE *outfile;
#	Line 392 \| Line 520 \| *cmdline_parser_file_save(const char filename, struct**
520		return EXIT_FAILURE;
521		}
522
523	<	if (args_info->help_given) {
396	<	fprintf(outfile, "%s\n", "help");
397	<	}
398	<	if (args_info->version_given) {
399	<	fprintf(outfile, "%s\n", "version");
400	<	}
401	<	if (args_info->input_given) {
402	<	if (args_info->input_orig) {
403	<	fprintf(outfile, "%s=\"%s\"\n", "input", args_info->input_orig);
404	<	} else {
405	<	fprintf(outfile, "%s\n", "input");
406	<	}
407	<	}
408	<	if (args_info->output_given) {
409	<	if (args_info->output_orig) {
410	<	fprintf(outfile, "%s=\"%s\"\n", "output", args_info->output_orig);
411	<	} else {
412	<	fprintf(outfile, "%s\n", "output");
413	<	}
414	<	}
415	<	if (args_info->step_given) {
416	<	if (args_info->step_orig) {
417	<	fprintf(outfile, "%s=\"%s\"\n", "step", args_info->step_orig);
418	<	} else {
419	<	fprintf(outfile, "%s\n", "step");
420	<	}
421	<	}
422	<	if (args_info->nbins_given) {
423	<	if (args_info->nbins_orig) {
424	<	fprintf(outfile, "%s=\"%s\"\n", "nbins", args_info->nbins_orig);
425	<	} else {
426	<	fprintf(outfile, "%s\n", "nbins");
427	<	}
428	<	}
429	<	if (args_info->nbins_x_given) {
430	<	if (args_info->nbins_x_orig) {
431	<	fprintf(outfile, "%s=\"%s\"\n", "nbins_x", args_info->nbins_x_orig);
432	<	} else {
433	<	fprintf(outfile, "%s\n", "nbins_x");
434	<	}
435	<	}
436	<	if (args_info->nbins_y_given) {
437	<	if (args_info->nbins_y_orig) {
438	<	fprintf(outfile, "%s=\"%s\"\n", "nbins_y", args_info->nbins_y_orig);
439	<	} else {
440	<	fprintf(outfile, "%s\n", "nbins_y");
441	<	}
442	<	}
443	<	if (args_info->nanglebins_given) {
444	<	if (args_info->nanglebins_orig) {
445	<	fprintf(outfile, "%s=\"%s\"\n", "nanglebins", args_info->nanglebins_orig);
446	<	} else {
447	<	fprintf(outfile, "%s\n", "nanglebins");
448	<	}
449	<	}
450	<	if (args_info->length_given) {
451	<	if (args_info->length_orig) {
452	<	fprintf(outfile, "%s=\"%s\"\n", "length", args_info->length_orig);
453	<	} else {
454	<	fprintf(outfile, "%s\n", "length");
455	<	}
456	<	}
457	<	if (args_info->rcut_given) {
458	<	if (args_info->rcut_orig) {
459	<	fprintf(outfile, "%s=\"%s\"\n", "rcut", args_info->rcut_orig);
460	<	} else {
461	<	fprintf(outfile, "%s\n", "rcut");
462	<	}
463	<	}
464	<	if (args_info->zoffset_given) {
465	<	if (args_info->zoffset_orig) {
466	<	fprintf(outfile, "%s=\"%s\"\n", "zoffset", args_info->zoffset_orig);
467	<	} else {
468	<	fprintf(outfile, "%s\n", "zoffset");
469	<	}
470	<	}
471	<	if (args_info->sele1_given) {
472	<	if (args_info->sele1_orig) {
473	<	fprintf(outfile, "%s=\"%s\"\n", "sele1", args_info->sele1_orig);
474	<	} else {
475	<	fprintf(outfile, "%s\n", "sele1");
476	<	}
477	<	}
478	<	if (args_info->sele2_given) {
479	<	if (args_info->sele2_orig) {
480	<	fprintf(outfile, "%s=\"%s\"\n", "sele2", args_info->sele2_orig);
481	<	} else {
482	<	fprintf(outfile, "%s\n", "sele2");
483	<	}
484	<	}
485	<	if (args_info->sele3_given) {
486	<	if (args_info->sele3_orig) {
487	<	fprintf(outfile, "%s=\"%s\"\n", "sele3", args_info->sele3_orig);
488	<	} else {
489	<	fprintf(outfile, "%s\n", "sele3");
490	<	}
491	<	}
492	<	if (args_info->refsele_given) {
493	<	if (args_info->refsele_orig) {
494	<	fprintf(outfile, "%s=\"%s\"\n", "refsele", args_info->refsele_orig);
495	<	} else {
496	<	fprintf(outfile, "%s\n", "refsele");
497	<	}
498	<	}
499	<	if (args_info->molname_given) {
500	<	if (args_info->molname_orig) {
501	<	fprintf(outfile, "%s=\"%s\"\n", "molname", args_info->molname_orig);
502	<	} else {
503	<	fprintf(outfile, "%s\n", "molname");
504	<	}
505	<	}
506	<	if (args_info->begin_given) {
507	<	if (args_info->begin_orig) {
508	<	fprintf(outfile, "%s=\"%s\"\n", "begin", args_info->begin_orig);
509	<	} else {
510	<	fprintf(outfile, "%s\n", "begin");
511	<	}
512	<	}
513	<	if (args_info->end_given) {
514	<	if (args_info->end_orig) {
515	<	fprintf(outfile, "%s=\"%s\"\n", "end", args_info->end_orig);
516	<	} else {
517	<	fprintf(outfile, "%s\n", "end");
518	<	}
519	<	}
520	<	if (args_info->radius_given) {
521	<	if (args_info->radius_orig) {
522	<	fprintf(outfile, "%s=\"%s\"\n", "radius", args_info->radius_orig);
523	<	} else {
524	<	fprintf(outfile, "%s\n", "radius");
525	<	}
526	<	}
527	<	if (args_info->bo_given) {
528	<	fprintf(outfile, "%s\n", "bo");
529	<	}
530	<	if (args_info->bor_given) {
531	<	fprintf(outfile, "%s\n", "bor");
532	<	}
533	<	if (args_info->bad_given) {
534	<	fprintf(outfile, "%s\n", "bad");
535	<	}
536	<	if (args_info->gofr_given) {
537	<	fprintf(outfile, "%s\n", "gofr");
538	<	}
539	<	if (args_info->r_theta_given) {
540	<	fprintf(outfile, "%s\n", "r_theta");
541	<	}
542	<	if (args_info->r_omega_given) {
543	<	fprintf(outfile, "%s\n", "r_omega");
544	<	}
545	<	if (args_info->theta_omega_given) {
546	<	fprintf(outfile, "%s\n", "theta_omega");
547	<	}
548	<	if (args_info->gxyz_given) {
549	<	fprintf(outfile, "%s\n", "gxyz");
550	<	}
551	<	if (args_info->p2_given) {
552	<	fprintf(outfile, "%s\n", "p2");
553	<	}
554	<	if (args_info->rp2_given) {
555	<	fprintf(outfile, "%s\n", "rp2");
556	<	}
557	<	if (args_info->scd_given) {
558	<	fprintf(outfile, "%s\n", "scd");
559	<	}
560	<	if (args_info->density_given) {
561	<	fprintf(outfile, "%s\n", "density");
562	<	}
563	<	if (args_info->slab_density_given) {
564	<	fprintf(outfile, "%s\n", "slab_density");
565	<	}
566	<	if (args_info->hxy_given) {
567	<	fprintf(outfile, "%s\n", "hxy");
568	<	}
569	<	if (args_info->rho_r_given) {
570	<	fprintf(outfile, "%s\n", "rho_r");
571	<	}
572	<	if (args_info->hullvol_given) {
573	<	fprintf(outfile, "%s\n", "hullvol");
574	<	}
575	<
523	>	i = cmdline_parser_dump(outfile, args_info);
524		fclose (outfile);
525
578	–	i = EXIT_SUCCESS;
526		return i;
527		}
528
#	Line 585 \| Line 532 \| *cmdline_parser_free (struct gengetopt_args_info args_**
532		cmdline_parser_release (args_info);
533		}
534
535	<
589	<	/* gengetopt_strdup() */
590	<	/* strdup.c replacement of strdup, which is not standard */
535	>	/** @brief replacement of strdup, which is not standard */
536		char *
537		gengetopt_strdup (const char *s)
538		{
539	<	char *result = NULL;
539	>	char *result = 0;
540		if (!s)
541		return result;
542
#	Line 603 \| Line 548 \| static void
548		}
549
550		static void
606	–	reset_group_staticProps(struct gengetopt_args_info *args_info);
607	–
608	–	static void
551		reset_group_staticProps(struct gengetopt_args_info *args_info)
552		{
553		if (! args_info->staticProps_group_counter)
#	Line 614 \| Line 556 \| *reset_group_staticProps(struct gengetopt_args_info ar**
556		args_info->bo_given = 0 ;
557		args_info->bor_given = 0 ;
558		args_info->bad_given = 0 ;
559	+	args_info->count_given = 0 ;
560		args_info->gofr_given = 0 ;
561	+	args_info->gofz_given = 0 ;
562		args_info->r_theta_given = 0 ;
563		args_info->r_omega_given = 0 ;
564	+	args_info->r_z_given = 0 ;
565		args_info->theta_omega_given = 0 ;
566		args_info->gxyz_given = 0 ;
567	+	args_info->twodgofr_given = 0 ;
568		args_info->p2_given = 0 ;
569		args_info->rp2_given = 0 ;
570		args_info->scd_given = 0 ;
571		args_info->density_given = 0 ;
572		args_info->slab_density_given = 0 ;
573	+	args_info->p_angle_given = 0 ;
574		args_info->hxy_given = 0 ;
575		args_info->rho_r_given = 0 ;
576	+	args_info->angle_r_given = 0 ;
577		args_info->hullvol_given = 0 ;
578	+	args_info->rodlength_given = 0 ;
579	+	args_info->tet_param_given = 0 ;
580
581		args_info->staticProps_group_counter = 0;
582		}
583
584		int
585	<	cmdline_parser (int argc, char * const argv, struct gengetopt_args_info args_info)
585	>	cmdline_parser (int argc, char *argv, struct gengetopt_args_info args_info)
586		{
587		return cmdline_parser2 (argc, argv, args_info, 0, 1, 1);
588		}
589
590		int
591	<	cmdline_parser2 (int argc, char * const argv, struct gengetopt_args_info args_info, int override, int initialize, int check_required)
591	>	cmdline_parser_ext (int argc, char *argv, struct gengetopt_args_info args_info,
592	>	struct cmdline_parser_params *params)
593		{
594		int result;
595	+	result = cmdline_parser_internal (argc, argv, args_info, params, 0);
596
597	<	result = cmdline_parser_internal (argc, argv, args_info, override, initialize, check_required, NULL);
597	>	if (result == EXIT_FAILURE)
598	>	{
599	>	cmdline_parser_free (args_info);
600	>	exit (EXIT_FAILURE);
601	>	}
602	>
603	>	return result;
604	>	}
605
606	+	int
607	+	cmdline_parser2 (int argc, char *argv, struct gengetopt_args_info args_info, int override, int initialize, int check_required)
608	+	{
609	+	int result;
610	+	struct cmdline_parser_params params;
611	+
612	+	params.override = override;
613	+	params.initialize = initialize;
614	+	params.check_required = check_required;
615	+	params.check_ambiguity = 0;
616	+	params.print_errors = 1;
617	+
618	+	result = cmdline_parser_internal (argc, argv, args_info, &params, 0);
619	+
620		if (result == EXIT_FAILURE)
621		{
622		cmdline_parser_free (args_info);
#	Line 658 \| Line 631 \| *cmdline_parser_required (struct gengetopt_args_info a**
631		{
632		int result = EXIT_SUCCESS;
633
634	<	if (cmdline_parser_required2(args_info, prog_name, NULL) > 0)
634	>	if (cmdline_parser_required2(args_info, prog_name, 0) > 0)
635		result = EXIT_FAILURE;
636
637		if (result == EXIT_FAILURE)
#	Line 674 \| Line 647 \| cmdline_parser_required2 (struct gengetopt_args_info *
647		cmdline_parser_required2 (struct gengetopt_args_info args_info, const char prog_name, const char *additional_error)
648		{
649		int error = 0;
650	+	FIX_UNUSED (additional_error);
651
652		/* checks for required options */
653		if (! args_info->input_given)
#	Line 684 \| Line 658 \| cmdline_parser_required2 (struct gengetopt_args_info *
658
659		if (args_info->staticProps_group_counter == 0)
660		{
661	<	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 : ""));
661	>	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 : ""));
662		error = 1;
663		}
664
#	Line 694 \| Line 668 \| cmdline_parser_required2 (struct gengetopt_args_info *
668		return error;
669		}
670
671	+
672	+	static char *package_name = 0;
673	+
674	+	/**
675	+	* @brief updates an option
676	+	* @param field the generic pointer to the field to update
677	+	* @param orig_field the pointer to the orig field
678	+	* @param field_given the pointer to the number of occurrence of this option
679	+	* @param prev_given the pointer to the number of occurrence already seen
680	+	* @param value the argument for this option (if null no arg was specified)
681	+	* @param possible_values the possible values for this option (if specified)
682	+	* @param default_value the default value (in case the option only accepts fixed values)
683	+	* @param arg_type the type of this option
684	+	* @param check_ambiguity @see cmdline_parser_params.check_ambiguity
685	+	* @param override @see cmdline_parser_params.override
686	+	* @param no_free whether to free a possible previous value
687	+	* @param multiple_option whether this is a multiple option
688	+	* @param long_opt the corresponding long option
689	+	* @param short_opt the corresponding short option (or '-' if none)
690	+	* @param additional_error possible further error specification
691	+	*/
692	+	static
693	+	int update_arg(void field, char *orig_field,
694	+	unsigned int field_given, unsigned int prev_given,
695	+	char value, const char possible_values[],
696	+	const char *default_value,
697	+	cmdline_parser_arg_type arg_type,
698	+	int check_ambiguity, int override,
699	+	int no_free, int multiple_option,
700	+	const char *long_opt, char short_opt,
701	+	const char *additional_error)
702	+	{
703	+	char *stop_char = 0;
704	+	const char *val = value;
705	+	int found;
706	+	char **string_field;
707	+	FIX_UNUSED (field);
708	+
709	+	stop_char = 0;
710	+	found = 0;
711	+
712	+	if (!multiple_option && prev_given && (prev_given \|\| (check_ambiguity && field_given)))
713	+	{
714	+	if (short_opt != '-')
715	+	fprintf (stderr, "%s: `--%s' (`-%c') option given more than once%s\n",
716	+	package_name, long_opt, short_opt,
717	+	(additional_error ? additional_error : ""));
718	+	else
719	+	fprintf (stderr, "%s: `--%s' option given more than once%s\n",
720	+	package_name, long_opt,
721	+	(additional_error ? additional_error : ""));
722	+	return 1; /* failure */
723	+	}
724	+
725	+	FIX_UNUSED (default_value);
726	+
727	+	if (field_given && *field_given && ! override)
728	+	return 0;
729	+	if (prev_given)
730	+	(*prev_given)++;
731	+	if (field_given)
732	+	(*field_given)++;
733	+	if (possible_values)
734	+	val = possible_values[found];
735	+
736	+	switch(arg_type) {
737	+	case ARG_INT:
738	+	if (val) ((int )field) = strtol (val, &stop_char, 0);
739	+	break;
740	+	case ARG_DOUBLE:
741	+	if (val) ((double )field) = strtod (val, &stop_char);
742	+	break;
743	+	case ARG_STRING:
744	+	if (val) {
745	+	string_field = (char **)field;
746	+	if (!no_free && *string_field)
747	+	free (string_field); / free previous string */
748	+	*string_field = gengetopt_strdup (val);
749	+	}
750	+	break;
751	+	default:
752	+	break;
753	+	};
754	+
755	+	/* check numeric conversion */
756	+	switch(arg_type) {
757	+	case ARG_INT:
758	+	case ARG_DOUBLE:
759	+	if (val && !(stop_char && *stop_char == '\0')) {
760	+	fprintf(stderr, "%s: invalid numeric value: %s\n", package_name, val);
761	+	return 1; /* failure */
762	+	}
763	+	break;
764	+	default:
765	+	;
766	+	};
767	+
768	+	/* store the original value */
769	+	switch(arg_type) {
770	+	case ARG_NO:
771	+	break;
772	+	default:
773	+	if (value && orig_field) {
774	+	if (no_free) {
775	+	*orig_field = value;
776	+	} else {
777	+	if (*orig_field)
778	+	free (orig_field); / free previous string */
779	+	*orig_field = gengetopt_strdup (value);
780	+	}
781	+	}
782	+	};
783	+
784	+	return 0; /* OK */
785	+	}
786	+
787	+
788		int
789	<	cmdline_parser_internal (int argc, char * const argv, struct gengetopt_args_info args_info, int override, int initialize, int check_required, const char *additional_error)
789	>	cmdline_parser_internal (
790	>	int argc, char *argv, struct gengetopt_args_info args_info,
791	>	struct cmdline_parser_params params, const char additional_error)
792		{
793		int c; /* Character of the parsed option. */
794
795		int error = 0;
796		struct gengetopt_args_info local_args_info;
797	+
798	+	int override;
799	+	int initialize;
800	+	int check_required;
801	+	int check_ambiguity;
802	+
803	+	package_name = argv[0];
804	+
805	+	override = params->override;
806	+	initialize = params->initialize;
807	+	check_required = params->check_required;
808	+	check_ambiguity = params->check_ambiguity;
809
810		if (initialize)
811		cmdline_parser_init (args_info);
#	Line 709 \| Line 814 \| *cmdline_parser_internal (int argc, char const argv,*
814
815		optarg = 0;
816		optind = 0;
817	<	opterr = 1;
817	>	opterr = params->print_errors;
818		optopt = '?';
819
820		while (1)
821		{
822		int option_index = 0;
718	–	char *stop_char;
823
824		static struct option long_options[] = {
825		{ "help", 0, NULL, 'h' },
#	Line 726 \| Line 830 \| *cmdline_parser_internal (int argc, char const argv,*
830		{ "nbins", 1, NULL, 'b' },
831		{ "nbins_x", 1, NULL, 'x' },
832		{ "nbins_y", 1, NULL, 'y' },
833	+	{ "nbins_z", 1, NULL, 0 },
834		{ "nanglebins", 1, NULL, 'a' },
730	–	{ "length", 1, NULL, 0 },
835		{ "rcut", 1, NULL, 'c' },
836	+	{ "dz", 1, NULL, 0 },
837	+	{ "length", 1, NULL, 0 },
838	+	{ "zlength", 1, NULL, 0 },
839		{ "zoffset", 1, NULL, 'z' },
840		{ "sele1", 1, NULL, 0 },
841		{ "sele2", 1, NULL, 0 },
842		{ "sele3", 1, NULL, 0 },
843		{ "refsele", 1, NULL, 0 },
844	+	{ "comsele", 1, NULL, 0 },
845		{ "molname", 1, NULL, 0 },
846		{ "begin", 1, NULL, 0 },
847		{ "end", 1, NULL, 0 },
#	Line 741 \| Line 849 \| *cmdline_parser_internal (int argc, char const argv,*
849		{ "bo", 0, NULL, 0 },
850		{ "bor", 0, NULL, 0 },
851		{ "bad", 0, NULL, 0 },
852	+	{ "count", 0, NULL, 0 },
853		{ "gofr", 0, NULL, 'g' },
854	+	{ "gofz", 0, NULL, 0 },
855		{ "r_theta", 0, NULL, 0 },
856		{ "r_omega", 0, NULL, 0 },
857	+	{ "r_z", 0, NULL, 0 },
858		{ "theta_omega", 0, NULL, 0 },
859		{ "gxyz", 0, NULL, 0 },
860	+	{ "twodgofr", 0, NULL, 0 },
861		{ "p2", 0, NULL, 'p' },
862		{ "rp2", 0, NULL, 0 },
863		{ "scd", 0, NULL, 's' },
864		{ "density", 0, NULL, 'd' },
865		{ "slab_density", 0, NULL, 0 },
866	+	{ "p_angle", 0, NULL, 0 },
867		{ "hxy", 0, NULL, 0 },
868		{ "rho_r", 0, NULL, 0 },
869	+	{ "angle_r", 0, NULL, 0 },
870		{ "hullvol", 0, NULL, 0 },
871	<	{ NULL, 0, NULL, 0 }
871	>	{ "rodlength", 0, NULL, 0 },
872	>	{ "tet_param", 0, NULL, 'Q' },
873	>	{ 0, 0, 0, 0 }
874		};
875
876	<	stop_char = 0;
761	<	c = getopt_long (argc, argv, "hVi:o:n:b:x:y:a:c:z:gpsd", long_options, &option_index);
876	>	c = getopt_long (argc, argv, "hVi:o:n:b:x:y:a:c:z:gpsdQ", long_options, &option_index);
877
878		if (c == -1) break; /* Exit from `while (1)' loop. */
879
#	Line 775 \| Line 890 \| *cmdline_parser_internal (int argc, char const argv,*
890		exit (EXIT_SUCCESS);
891
892		case 'i': /* input dump file. */
893	<	if (local_args_info.input_given)
894	<	{
895	<	fprintf (stderr, "%s: `--input' (`-i') option given more than once%s\n", argv[0], (additional_error ? additional_error : ""));
896	<	goto failure;
897	<	}
898	<	if (args_info->input_given && ! override)
899	<	continue;
900	<	local_args_info.input_given = 1;
901	<	args_info->input_given = 1;
902	<	if (args_info->input_arg)
788	<	free (args_info->input_arg); /* free previous string */
789	<	args_info->input_arg = gengetopt_strdup (optarg);
790	<	if (args_info->input_orig)
791	<	free (args_info->input_orig); /* free previous string */
792	<	args_info->input_orig = gengetopt_strdup (optarg);
893	>
894	>
895	>	if (update_arg( (void *)&(args_info->input_arg),
896	>	&(args_info->input_orig), &(args_info->input_given),
897	>	&(local_args_info.input_given), optarg, 0, 0, ARG_STRING,
898	>	check_ambiguity, override, 0, 0,
899	>	"input", 'i',
900	>	additional_error))
901	>	goto failure;
902	>
903		break;
794	–
904		case 'o': /* output file name. */
905	<	if (local_args_info.output_given)
906	<	{
907	<	fprintf (stderr, "%s: `--output' (`-o') option given more than once%s\n", argv[0], (additional_error ? additional_error : ""));
908	<	goto failure;
909	<	}
910	<	if (args_info->output_given && ! override)
911	<	continue;
912	<	local_args_info.output_given = 1;
913	<	args_info->output_given = 1;
914	<	if (args_info->output_arg)
806	<	free (args_info->output_arg); /* free previous string */
807	<	args_info->output_arg = gengetopt_strdup (optarg);
808	<	if (args_info->output_orig)
809	<	free (args_info->output_orig); /* free previous string */
810	<	args_info->output_orig = gengetopt_strdup (optarg);
905	>
906	>
907	>	if (update_arg( (void *)&(args_info->output_arg),
908	>	&(args_info->output_orig), &(args_info->output_given),
909	>	&(local_args_info.output_given), optarg, 0, 0, ARG_STRING,
910	>	check_ambiguity, override, 0, 0,
911	>	"output", 'o',
912	>	additional_error))
913	>	goto failure;
914	>
915		break;
812	–
916		case 'n': /* process every n frame. */
917	<	if (local_args_info.step_given)
918	<	{
919	<	fprintf (stderr, "%s: `--step' (`-n') option given more than once%s\n", argv[0], (additional_error ? additional_error : ""));
920	<	goto failure;
921	<	}
922	<	if (args_info->step_given && ! override)
923	<	continue;
924	<	local_args_info.step_given = 1;
822	<	args_info->step_given = 1;
823	<	args_info->step_arg = strtol (optarg, &stop_char, 0);
824	<	if (!(stop_char && *stop_char == '\0')) {
825	<	fprintf(stderr, "%s: invalid numeric value: %s\n", argv[0], optarg);
917	>
918	>
919	>	if (update_arg( (void *)&(args_info->step_arg),
920	>	&(args_info->step_orig), &(args_info->step_given),
921	>	&(local_args_info.step_given), optarg, 0, "1", ARG_INT,
922	>	check_ambiguity, override, 0, 0,
923	>	"step", 'n',
924	>	additional_error))
925		goto failure;
926	<	}
828	<	if (args_info->step_orig)
829	<	free (args_info->step_orig); /* free previous string */
830	<	args_info->step_orig = gengetopt_strdup (optarg);
926	>
927		break;
832	–
928		case 'b': /* number of bins (general purpose). */
929	<	if (local_args_info.nbins_given)
930	<	{
931	<	fprintf (stderr, "%s: `--nbins' (`-b') option given more than once%s\n", argv[0], (additional_error ? additional_error : ""));
932	<	goto failure;
933	<	}
934	<	if (args_info->nbins_given && ! override)
935	<	continue;
936	<	local_args_info.nbins_given = 1;
842	<	args_info->nbins_given = 1;
843	<	args_info->nbins_arg = strtol (optarg, &stop_char, 0);
844	<	if (!(stop_char && *stop_char == '\0')) {
845	<	fprintf(stderr, "%s: invalid numeric value: %s\n", argv[0], optarg);
929	>
930	>
931	>	if (update_arg( (void *)&(args_info->nbins_arg),
932	>	&(args_info->nbins_orig), &(args_info->nbins_given),
933	>	&(local_args_info.nbins_given), optarg, 0, "100", ARG_INT,
934	>	check_ambiguity, override, 0, 0,
935	>	"nbins", 'b',
936	>	additional_error))
937		goto failure;
938	<	}
848	<	if (args_info->nbins_orig)
849	<	free (args_info->nbins_orig); /* free previous string */
850	<	args_info->nbins_orig = gengetopt_strdup (optarg);
938	>
939		break;
852	–
940		case 'x': /* number of bins in x axis. */
941	<	if (local_args_info.nbins_x_given)
942	<	{
943	<	fprintf (stderr, "%s: `--nbins_x' (`-x') option given more than once%s\n", argv[0], (additional_error ? additional_error : ""));
944	<	goto failure;
945	<	}
946	<	if (args_info->nbins_x_given && ! override)
947	<	continue;
948	<	local_args_info.nbins_x_given = 1;
862	<	args_info->nbins_x_given = 1;
863	<	args_info->nbins_x_arg = strtol (optarg, &stop_char, 0);
864	<	if (!(stop_char && *stop_char == '\0')) {
865	<	fprintf(stderr, "%s: invalid numeric value: %s\n", argv[0], optarg);
941	>
942	>
943	>	if (update_arg( (void *)&(args_info->nbins_x_arg),
944	>	&(args_info->nbins_x_orig), &(args_info->nbins_x_given),
945	>	&(local_args_info.nbins_x_given), optarg, 0, "100", ARG_INT,
946	>	check_ambiguity, override, 0, 0,
947	>	"nbins_x", 'x',
948	>	additional_error))
949		goto failure;
950	<	}
868	<	if (args_info->nbins_x_orig)
869	<	free (args_info->nbins_x_orig); /* free previous string */
870	<	args_info->nbins_x_orig = gengetopt_strdup (optarg);
950	>
951		break;
872	–
952		case 'y': /* number of bins in y axis. */
953	<	if (local_args_info.nbins_y_given)
954	<	{
955	<	fprintf (stderr, "%s: `--nbins_y' (`-y') option given more than once%s\n", argv[0], (additional_error ? additional_error : ""));
956	<	goto failure;
957	<	}
958	<	if (args_info->nbins_y_given && ! override)
959	<	continue;
960	<	local_args_info.nbins_y_given = 1;
882	<	args_info->nbins_y_given = 1;
883	<	args_info->nbins_y_arg = strtol (optarg, &stop_char, 0);
884	<	if (!(stop_char && *stop_char == '\0')) {
885	<	fprintf(stderr, "%s: invalid numeric value: %s\n", argv[0], optarg);
953	>
954	>
955	>	if (update_arg( (void *)&(args_info->nbins_y_arg),
956	>	&(args_info->nbins_y_orig), &(args_info->nbins_y_given),
957	>	&(local_args_info.nbins_y_given), optarg, 0, "100", ARG_INT,
958	>	check_ambiguity, override, 0, 0,
959	>	"nbins_y", 'y',
960	>	additional_error))
961		goto failure;
962	<	}
888	<	if (args_info->nbins_y_orig)
889	<	free (args_info->nbins_y_orig); /* free previous string */
890	<	args_info->nbins_y_orig = gengetopt_strdup (optarg);
962	>
963		break;
892	–
964		case 'a': /* number of bins for cos(angle). */
965	<	if (local_args_info.nanglebins_given)
966	<	{
967	<	fprintf (stderr, "%s: `--nanglebins' (`-a') option given more than once%s\n", argv[0], (additional_error ? additional_error : ""));
968	<	goto failure;
969	<	}
970	<	if (args_info->nanglebins_given && ! override)
971	<	continue;
972	<	local_args_info.nanglebins_given = 1;
902	<	args_info->nanglebins_given = 1;
903	<	args_info->nanglebins_arg = strtol (optarg, &stop_char, 0);
904	<	if (!(stop_char && *stop_char == '\0')) {
905	<	fprintf(stderr, "%s: invalid numeric value: %s\n", argv[0], optarg);
965	>
966	>
967	>	if (update_arg( (void *)&(args_info->nanglebins_arg),
968	>	&(args_info->nanglebins_orig), &(args_info->nanglebins_given),
969	>	&(local_args_info.nanglebins_given), optarg, 0, "50", ARG_INT,
970	>	check_ambiguity, override, 0, 0,
971	>	"nanglebins", 'a',
972	>	additional_error))
973		goto failure;
974	<	}
908	<	if (args_info->nanglebins_orig)
909	<	free (args_info->nanglebins_orig); /* free previous string */
910	<	args_info->nanglebins_orig = gengetopt_strdup (optarg);
974	>
975		break;
912	–
976		case 'c': /* cutoff radius (rcut). */
977	<	if (local_args_info.rcut_given)
978	<	{
979	<	fprintf (stderr, "%s: `--rcut' (`-c') option given more than once%s\n", argv[0], (additional_error ? additional_error : ""));
980	<	goto failure;
981	<	}
982	<	if (args_info->rcut_given && ! override)
983	<	continue;
984	<	local_args_info.rcut_given = 1;
922	<	args_info->rcut_given = 1;
923	<	args_info->rcut_arg = strtod (optarg, &stop_char);
924	<	if (!(stop_char && *stop_char == '\0')) {
925	<	fprintf(stderr, "%s: invalid numeric value: %s\n", argv[0], optarg);
977	>
978	>
979	>	if (update_arg( (void *)&(args_info->rcut_arg),
980	>	&(args_info->rcut_orig), &(args_info->rcut_given),
981	>	&(local_args_info.rcut_given), optarg, 0, 0, ARG_DOUBLE,
982	>	check_ambiguity, override, 0, 0,
983	>	"rcut", 'c',
984	>	additional_error))
985		goto failure;
986	<	}
928	<	if (args_info->rcut_orig)
929	<	free (args_info->rcut_orig); /* free previous string */
930	<	args_info->rcut_orig = gengetopt_strdup (optarg);
986	>
987		break;
932	–
988		case 'z': /* Where to set the zero for the slab_density calculation. */
989	<	if (local_args_info.zoffset_given)
990	<	{
991	<	fprintf (stderr, "%s: `--zoffset' (`-z') option given more than once%s\n", argv[0], (additional_error ? additional_error : ""));
992	<	goto failure;
993	<	}
994	<	if (args_info->zoffset_given && ! override)
995	<	continue;
996	<	local_args_info.zoffset_given = 1;
942	<	args_info->zoffset_given = 1;
943	<	args_info->zoffset_arg = strtod (optarg, &stop_char);
944	<	if (!(stop_char && *stop_char == '\0')) {
945	<	fprintf(stderr, "%s: invalid numeric value: %s\n", argv[0], optarg);
989	>
990	>
991	>	if (update_arg( (void *)&(args_info->zoffset_arg),
992	>	&(args_info->zoffset_orig), &(args_info->zoffset_given),
993	>	&(local_args_info.zoffset_given), optarg, 0, "0", ARG_DOUBLE,
994	>	check_ambiguity, override, 0, 0,
995	>	"zoffset", 'z',
996	>	additional_error))
997		goto failure;
998	<	}
948	<	if (args_info->zoffset_orig)
949	<	free (args_info->zoffset_orig); /* free previous string */
950	<	args_info->zoffset_orig = gengetopt_strdup (optarg);
998	>
999		break;
952	–
1000		case 'g': /* g(r). */
1001	<	if (local_args_info.gofr_given)
955	<	{
956	<	fprintf (stderr, "%s: `--gofr' (`-g') option given more than once%s\n", argv[0], (additional_error ? additional_error : ""));
957	<	goto failure;
958	<	}
959	<	if (args_info->gofr_given && ! override)
960	<	continue;
961	<	local_args_info.gofr_given = 1;
962	<	args_info->gofr_given = 1;
1001	>
1002		if (args_info->staticProps_group_counter && override)
1003		reset_group_staticProps (args_info);
1004		args_info->staticProps_group_counter += 1;
1005	+
1006	+	if (update_arg( 0 ,
1007	+	0 , &(args_info->gofr_given),
1008	+	&(local_args_info.gofr_given), optarg, 0, 0, ARG_NO,
1009	+	check_ambiguity, override, 0, 0,
1010	+	"gofr", 'g',
1011	+	additional_error))
1012	+	goto failure;
1013	+
1014		break;
1015	<
1016	<	case 'p': /* p2 order parameter (--sele1 and --sele2 must be specified). */
969	<	if (local_args_info.p2_given)
970	<	{
971	<	fprintf (stderr, "%s: `--p2' (`-p') option given more than once%s\n", argv[0], (additional_error ? additional_error : ""));
972	<	goto failure;
973	<	}
974	<	if (args_info->p2_given && ! override)
975	<	continue;
976	<	local_args_info.p2_given = 1;
977	<	args_info->p2_given = 1;
1015	>	case 'p': /* p2 order parameter (--sele1 must be specified, --sele2 is optional). */
1016	>
1017		if (args_info->staticProps_group_counter && override)
1018		reset_group_staticProps (args_info);
1019		args_info->staticProps_group_counter += 1;
1020	+
1021	+	if (update_arg( 0 ,
1022	+	0 , &(args_info->p2_given),
1023	+	&(local_args_info.p2_given), optarg, 0, 0, ARG_NO,
1024	+	check_ambiguity, override, 0, 0,
1025	+	"p2", 'p',
1026	+	additional_error))
1027	+	goto failure;
1028	+
1029		break;
982	–
1030		case 's': /* scd order parameter (either --sele1, --sele2, --sele3 are specified or --molname, --begin, --end are specified). */
1031	<	if (local_args_info.scd_given)
985	<	{
986	<	fprintf (stderr, "%s: `--scd' (`-s') option given more than once%s\n", argv[0], (additional_error ? additional_error : ""));
987	<	goto failure;
988	<	}
989	<	if (args_info->scd_given && ! override)
990	<	continue;
991	<	local_args_info.scd_given = 1;
992	<	args_info->scd_given = 1;
1031	>
1032		if (args_info->staticProps_group_counter && override)
1033		reset_group_staticProps (args_info);
1034		args_info->staticProps_group_counter += 1;
1035	+
1036	+	if (update_arg( 0 ,
1037	+	0 , &(args_info->scd_given),
1038	+	&(local_args_info.scd_given), optarg, 0, 0, ARG_NO,
1039	+	check_ambiguity, override, 0, 0,
1040	+	"scd", 's',
1041	+	additional_error))
1042	+	goto failure;
1043	+
1044		break;
997	–
1045		case 'd': /* density plot. */
1046	<	if (local_args_info.density_given)
1047	<	{
1048	<	fprintf (stderr, "%s: `--density' (`-d') option given more than once%s\n", argv[0], (additional_error ? additional_error : ""));
1049	<	goto failure;
1050	<	}
1051	<	if (args_info->density_given && ! override)
1052	<	continue;
1053	<	local_args_info.density_given = 1;
1054	<	args_info->density_given = 1;
1046	>
1047	>	if (args_info->staticProps_group_counter && override)
1048	>	reset_group_staticProps (args_info);
1049	>	args_info->staticProps_group_counter += 1;
1050	>
1051	>	if (update_arg( 0 ,
1052	>	0 , &(args_info->density_given),
1053	>	&(local_args_info.density_given), optarg, 0, 0, ARG_NO,
1054	>	check_ambiguity, override, 0, 0,
1055	>	"density", 'd',
1056	>	additional_error))
1057	>	goto failure;
1058	>
1059	>	break;
1060	>	case 'Q': /* tetrahedrality order parameter. */
1061	>
1062		if (args_info->staticProps_group_counter && override)
1063		reset_group_staticProps (args_info);
1064		args_info->staticProps_group_counter += 1;
1065	+
1066	+	if (update_arg( 0 ,
1067	+	0 , &(args_info->tet_param_given),
1068	+	&(local_args_info.tet_param_given), optarg, 0, 0, ARG_NO,
1069	+	check_ambiguity, override, 0, 0,
1070	+	"tet_param", 'Q',
1071	+	additional_error))
1072	+	goto failure;
1073	+
1074		break;
1075
1013	–
1076		case 0: /* Long option with no short option */
1077	+	/* number of bins in z axis. */
1078	+	if (strcmp (long_options[option_index].name, "nbins_z") == 0)
1079	+	{
1080	+
1081	+
1082	+	if (update_arg( (void *)&(args_info->nbins_z_arg),
1083	+	&(args_info->nbins_z_orig), &(args_info->nbins_z_given),
1084	+	&(local_args_info.nbins_z_given), optarg, 0, "100", ARG_INT,
1085	+	check_ambiguity, override, 0, 0,
1086	+	"nbins_z", '-',
1087	+	additional_error))
1088	+	goto failure;
1089	+
1090	+	}
1091	+	/* slab width (dz). */
1092	+	else if (strcmp (long_options[option_index].name, "dz") == 0)
1093	+	{
1094	+
1095	+
1096	+	if (update_arg( (void *)&(args_info->dz_arg),
1097	+	&(args_info->dz_orig), &(args_info->dz_given),
1098	+	&(local_args_info.dz_given), optarg, 0, 0, ARG_DOUBLE,
1099	+	check_ambiguity, override, 0, 0,
1100	+	"dz", '-',
1101	+	additional_error))
1102	+	goto failure;
1103	+
1104	+	}
1105		/* maximum length (Defaults to 1/2 smallest length of first frame). */
1106	<	if (strcmp (long_options[option_index].name, "length") == 0)
1106	>	else if (strcmp (long_options[option_index].name, "length") == 0)
1107		{
1108	<	if (local_args_info.length_given)
1109	<	{
1110	<	fprintf (stderr, "%s: `--length' option given more than once%s\n", argv[0], (additional_error ? additional_error : ""));
1111	<	goto failure;
1112	<	}
1113	<	if (args_info->length_given && ! override)
1114	<	continue;
1115	<	local_args_info.length_given = 1;
1026	<	args_info->length_given = 1;
1027	<	args_info->length_arg = strtod (optarg, &stop_char);
1028	<	if (!(stop_char && *stop_char == '\0')) {
1029	<	fprintf(stderr, "%s: invalid numeric value: %s\n", argv[0], optarg);
1108	>
1109	>
1110	>	if (update_arg( (void *)&(args_info->length_arg),
1111	>	&(args_info->length_orig), &(args_info->length_given),
1112	>	&(local_args_info.length_given), optarg, 0, 0, ARG_DOUBLE,
1113	>	check_ambiguity, override, 0, 0,
1114	>	"length", '-',
1115	>	additional_error))
1116		goto failure;
1117	<	}
1032	<	if (args_info->length_orig)
1033	<	free (args_info->length_orig); /* free previous string */
1034	<	args_info->length_orig = gengetopt_strdup (optarg);
1117	>
1118		}
1119	+	/* maximum length (Defaults to 1/2 smallest length of first frame). */
1120	+	else if (strcmp (long_options[option_index].name, "zlength") == 0)
1121	+	{
1122	+
1123	+
1124	+	if (update_arg( (void *)&(args_info->zlength_arg),
1125	+	&(args_info->zlength_orig), &(args_info->zlength_given),
1126	+	&(local_args_info.zlength_given), optarg, 0, 0, ARG_DOUBLE,
1127	+	check_ambiguity, override, 0, 0,
1128	+	"zlength", '-',
1129	+	additional_error))
1130	+	goto failure;
1131	+
1132	+	}
1133		/* select the first stuntdouble set. */
1134		else if (strcmp (long_options[option_index].name, "sele1") == 0)
1135		{
1136	<	if (local_args_info.sele1_given)
1137	<	{
1138	<	fprintf (stderr, "%s: `--sele1' option given more than once%s\n", argv[0], (additional_error ? additional_error : ""));
1139	<	goto failure;
1140	<	}
1141	<	if (args_info->sele1_given && ! override)
1142	<	continue;
1143	<	local_args_info.sele1_given = 1;
1144	<	args_info->sele1_given = 1;
1145	<	if (args_info->sele1_arg)
1049	<	free (args_info->sele1_arg); /* free previous string */
1050	<	args_info->sele1_arg = gengetopt_strdup (optarg);
1051	<	if (args_info->sele1_orig)
1052	<	free (args_info->sele1_orig); /* free previous string */
1053	<	args_info->sele1_orig = gengetopt_strdup (optarg);
1136	>
1137	>
1138	>	if (update_arg( (void *)&(args_info->sele1_arg),
1139	>	&(args_info->sele1_orig), &(args_info->sele1_given),
1140	>	&(local_args_info.sele1_given), optarg, 0, 0, ARG_STRING,
1141	>	check_ambiguity, override, 0, 0,
1142	>	"sele1", '-',
1143	>	additional_error))
1144	>	goto failure;
1145	>
1146		}
1147		/* select the second stuntdouble set. */
1148		else if (strcmp (long_options[option_index].name, "sele2") == 0)
1149		{
1150	<	if (local_args_info.sele2_given)
1151	<	{
1152	<	fprintf (stderr, "%s: `--sele2' option given more than once%s\n", argv[0], (additional_error ? additional_error : ""));
1153	<	goto failure;
1154	<	}
1155	<	if (args_info->sele2_given && ! override)
1156	<	continue;
1157	<	local_args_info.sele2_given = 1;
1158	<	args_info->sele2_given = 1;
1159	<	if (args_info->sele2_arg)
1068	<	free (args_info->sele2_arg); /* free previous string */
1069	<	args_info->sele2_arg = gengetopt_strdup (optarg);
1070	<	if (args_info->sele2_orig)
1071	<	free (args_info->sele2_orig); /* free previous string */
1072	<	args_info->sele2_orig = gengetopt_strdup (optarg);
1150	>
1151	>
1152	>	if (update_arg( (void *)&(args_info->sele2_arg),
1153	>	&(args_info->sele2_orig), &(args_info->sele2_given),
1154	>	&(local_args_info.sele2_given), optarg, 0, 0, ARG_STRING,
1155	>	check_ambiguity, override, 0, 0,
1156	>	"sele2", '-',
1157	>	additional_error))
1158	>	goto failure;
1159	>
1160		}
1161		/* select the third stuntdouble set. */
1162		else if (strcmp (long_options[option_index].name, "sele3") == 0)
1163		{
1164	<	if (local_args_info.sele3_given)
1165	<	{
1166	<	fprintf (stderr, "%s: `--sele3' option given more than once%s\n", argv[0], (additional_error ? additional_error : ""));
1167	<	goto failure;
1168	<	}
1169	<	if (args_info->sele3_given && ! override)
1170	<	continue;
1171	<	local_args_info.sele3_given = 1;
1172	<	args_info->sele3_given = 1;
1173	<	if (args_info->sele3_arg)
1087	<	free (args_info->sele3_arg); /* free previous string */
1088	<	args_info->sele3_arg = gengetopt_strdup (optarg);
1089	<	if (args_info->sele3_orig)
1090	<	free (args_info->sele3_orig); /* free previous string */
1091	<	args_info->sele3_orig = gengetopt_strdup (optarg);
1164	>
1165	>
1166	>	if (update_arg( (void *)&(args_info->sele3_arg),
1167	>	&(args_info->sele3_orig), &(args_info->sele3_given),
1168	>	&(local_args_info.sele3_given), optarg, 0, 0, ARG_STRING,
1169	>	check_ambiguity, override, 0, 0,
1170	>	"sele3", '-',
1171	>	additional_error))
1172	>	goto failure;
1173	>
1174		}
1175		/* select reference (use and only use with --gxyz). */
1176		else if (strcmp (long_options[option_index].name, "refsele") == 0)
1177		{
1178	<	if (local_args_info.refsele_given)
1179	<	{
1180	<	fprintf (stderr, "%s: `--refsele' option given more than once%s\n", argv[0], (additional_error ? additional_error : ""));
1181	<	goto failure;
1182	<	}
1183	<	if (args_info->refsele_given && ! override)
1184	<	continue;
1185	<	local_args_info.refsele_given = 1;
1186	<	args_info->refsele_given = 1;
1187	<	if (args_info->refsele_arg)
1106	<	free (args_info->refsele_arg); /* free previous string */
1107	<	args_info->refsele_arg = gengetopt_strdup (optarg);
1108	<	if (args_info->refsele_orig)
1109	<	free (args_info->refsele_orig); /* free previous string */
1110	<	args_info->refsele_orig = gengetopt_strdup (optarg);
1178	>
1179	>
1180	>	if (update_arg( (void *)&(args_info->refsele_arg),
1181	>	&(args_info->refsele_orig), &(args_info->refsele_given),
1182	>	&(local_args_info.refsele_given), optarg, 0, 0, ARG_STRING,
1183	>	check_ambiguity, override, 0, 0,
1184	>	"refsele", '-',
1185	>	additional_error))
1186	>	goto failure;
1187	>
1188		}
1189	+	/* select stunt doubles for center-of-mass reference point. */
1190	+	else if (strcmp (long_options[option_index].name, "comsele") == 0)
1191	+	{
1192	+
1193	+
1194	+	if (update_arg( (void *)&(args_info->comsele_arg),
1195	+	&(args_info->comsele_orig), &(args_info->comsele_given),
1196	+	&(local_args_info.comsele_given), optarg, 0, 0, ARG_STRING,
1197	+	check_ambiguity, override, 0, 0,
1198	+	"comsele", '-',
1199	+	additional_error))
1200	+	goto failure;
1201	+
1202	+	}
1203		/* molecule name. */
1204		else if (strcmp (long_options[option_index].name, "molname") == 0)
1205		{
1206	<	if (local_args_info.molname_given)
1207	<	{
1208	<	fprintf (stderr, "%s: `--molname' option given more than once%s\n", argv[0], (additional_error ? additional_error : ""));
1209	<	goto failure;
1210	<	}
1211	<	if (args_info->molname_given && ! override)
1212	<	continue;
1213	<	local_args_info.molname_given = 1;
1214	<	args_info->molname_given = 1;
1215	<	if (args_info->molname_arg)
1125	<	free (args_info->molname_arg); /* free previous string */
1126	<	args_info->molname_arg = gengetopt_strdup (optarg);
1127	<	if (args_info->molname_orig)
1128	<	free (args_info->molname_orig); /* free previous string */
1129	<	args_info->molname_orig = gengetopt_strdup (optarg);
1206	>
1207	>
1208	>	if (update_arg( (void *)&(args_info->molname_arg),
1209	>	&(args_info->molname_orig), &(args_info->molname_given),
1210	>	&(local_args_info.molname_given), optarg, 0, 0, ARG_STRING,
1211	>	check_ambiguity, override, 0, 0,
1212	>	"molname", '-',
1213	>	additional_error))
1214	>	goto failure;
1215	>
1216		}
1217		/* begin internal index. */
1218		else if (strcmp (long_options[option_index].name, "begin") == 0)
1219		{
1220	<	if (local_args_info.begin_given)
1221	<	{
1222	<	fprintf (stderr, "%s: `--begin' option given more than once%s\n", argv[0], (additional_error ? additional_error : ""));
1223	<	goto failure;
1224	<	}
1225	<	if (args_info->begin_given && ! override)
1226	<	continue;
1227	<	local_args_info.begin_given = 1;
1142	<	args_info->begin_given = 1;
1143	<	args_info->begin_arg = strtol (optarg, &stop_char, 0);
1144	<	if (!(stop_char && *stop_char == '\0')) {
1145	<	fprintf(stderr, "%s: invalid numeric value: %s\n", argv[0], optarg);
1220	>
1221	>
1222	>	if (update_arg( (void *)&(args_info->begin_arg),
1223	>	&(args_info->begin_orig), &(args_info->begin_given),
1224	>	&(local_args_info.begin_given), optarg, 0, 0, ARG_INT,
1225	>	check_ambiguity, override, 0, 0,
1226	>	"begin", '-',
1227	>	additional_error))
1228		goto failure;
1229	<	}
1148	<	if (args_info->begin_orig)
1149	<	free (args_info->begin_orig); /* free previous string */
1150	<	args_info->begin_orig = gengetopt_strdup (optarg);
1229	>
1230		}
1231		/* end internal index. */
1232		else if (strcmp (long_options[option_index].name, "end") == 0)
1233		{
1234	<	if (local_args_info.end_given)
1235	<	{
1236	<	fprintf (stderr, "%s: `--end' option given more than once%s\n", argv[0], (additional_error ? additional_error : ""));
1237	<	goto failure;
1238	<	}
1239	<	if (args_info->end_given && ! override)
1240	<	continue;
1241	<	local_args_info.end_given = 1;
1163	<	args_info->end_given = 1;
1164	<	args_info->end_arg = strtol (optarg, &stop_char, 0);
1165	<	if (!(stop_char && *stop_char == '\0')) {
1166	<	fprintf(stderr, "%s: invalid numeric value: %s\n", argv[0], optarg);
1234	>
1235	>
1236	>	if (update_arg( (void *)&(args_info->end_arg),
1237	>	&(args_info->end_orig), &(args_info->end_given),
1238	>	&(local_args_info.end_given), optarg, 0, 0, ARG_INT,
1239	>	check_ambiguity, override, 0, 0,
1240	>	"end", '-',
1241	>	additional_error))
1242		goto failure;
1243	<	}
1169	<	if (args_info->end_orig)
1170	<	free (args_info->end_orig); /* free previous string */
1171	<	args_info->end_orig = gengetopt_strdup (optarg);
1243	>
1244		}
1245		/* nanoparticle radius. */
1246		else if (strcmp (long_options[option_index].name, "radius") == 0)
1247		{
1248	<	if (local_args_info.radius_given)
1249	<	{
1250	<	fprintf (stderr, "%s: `--radius' option given more than once%s\n", argv[0], (additional_error ? additional_error : ""));
1251	<	goto failure;
1252	<	}
1253	<	if (args_info->radius_given && ! override)
1254	<	continue;
1255	<	local_args_info.radius_given = 1;
1184	<	args_info->radius_given = 1;
1185	<	args_info->radius_arg = strtod (optarg, &stop_char);
1186	<	if (!(stop_char && *stop_char == '\0')) {
1187	<	fprintf(stderr, "%s: invalid numeric value: %s\n", argv[0], optarg);
1248	>
1249	>
1250	>	if (update_arg( (void *)&(args_info->radius_arg),
1251	>	&(args_info->radius_orig), &(args_info->radius_given),
1252	>	&(local_args_info.radius_given), optarg, 0, 0, ARG_DOUBLE,
1253	>	check_ambiguity, override, 0, 0,
1254	>	"radius", '-',
1255	>	additional_error))
1256		goto failure;
1257	<	}
1190	<	if (args_info->radius_orig)
1191	<	free (args_info->radius_orig); /* free previous string */
1192	<	args_info->radius_orig = gengetopt_strdup (optarg);
1257	>
1258		}
1259		/* bond order parameter (--rcut must be specified). */
1260		else if (strcmp (long_options[option_index].name, "bo") == 0)
1261		{
1262	<	if (local_args_info.bo_given)
1198	<	{
1199	<	fprintf (stderr, "%s: `--bo' option given more than once%s\n", argv[0], (additional_error ? additional_error : ""));
1200	<	goto failure;
1201	<	}
1202	<	if (args_info->bo_given && ! override)
1203	<	continue;
1204	<	local_args_info.bo_given = 1;
1205	<	args_info->bo_given = 1;
1262	>
1263		if (args_info->staticProps_group_counter && override)
1264		reset_group_staticProps (args_info);
1265		args_info->staticProps_group_counter += 1;
1266	<	break;
1266	>
1267	>	if (update_arg( 0 ,
1268	>	0 , &(args_info->bo_given),
1269	>	&(local_args_info.bo_given), optarg, 0, 0, ARG_NO,
1270	>	check_ambiguity, override, 0, 0,
1271	>	"bo", '-',
1272	>	additional_error))
1273	>	goto failure;
1274	>
1275		}
1276		/* bond order parameter as a function of radius (--rcut must be specified). */
1277		else if (strcmp (long_options[option_index].name, "bor") == 0)
1278		{
1279	<	if (local_args_info.bor_given)
1215	<	{
1216	<	fprintf (stderr, "%s: `--bor' option given more than once%s\n", argv[0], (additional_error ? additional_error : ""));
1217	<	goto failure;
1218	<	}
1219	<	if (args_info->bor_given && ! override)
1220	<	continue;
1221	<	local_args_info.bor_given = 1;
1222	<	args_info->bor_given = 1;
1279	>
1280		if (args_info->staticProps_group_counter && override)
1281		reset_group_staticProps (args_info);
1282		args_info->staticProps_group_counter += 1;
1283	<	break;
1283	>
1284	>	if (update_arg( 0 ,
1285	>	0 , &(args_info->bor_given),
1286	>	&(local_args_info.bor_given), optarg, 0, 0, ARG_NO,
1287	>	check_ambiguity, override, 0, 0,
1288	>	"bor", '-',
1289	>	additional_error))
1290	>	goto failure;
1291	>
1292		}
1293		/* N(theta) bond angle density within (--rcut must be specified). */
1294		else if (strcmp (long_options[option_index].name, "bad") == 0)
1295		{
1296	<	if (local_args_info.bad_given)
1232	<	{
1233	<	fprintf (stderr, "%s: `--bad' option given more than once%s\n", argv[0], (additional_error ? additional_error : ""));
1234	<	goto failure;
1235	<	}
1236	<	if (args_info->bad_given && ! override)
1237	<	continue;
1238	<	local_args_info.bad_given = 1;
1239	<	args_info->bad_given = 1;
1296	>
1297		if (args_info->staticProps_group_counter && override)
1298		reset_group_staticProps (args_info);
1299		args_info->staticProps_group_counter += 1;
1300	<	break;
1300	>
1301	>	if (update_arg( 0 ,
1302	>	0 , &(args_info->bad_given),
1303	>	&(local_args_info.bad_given), optarg, 0, 0, ARG_NO,
1304	>	check_ambiguity, override, 0, 0,
1305	>	"bad", '-',
1306	>	additional_error))
1307	>	goto failure;
1308	>
1309		}
1310	+	/* count of molecules matching selection criteria (and associated statistics). */
1311	+	else if (strcmp (long_options[option_index].name, "count") == 0)
1312	+	{
1313	+
1314	+	if (args_info->staticProps_group_counter && override)
1315	+	reset_group_staticProps (args_info);
1316	+	args_info->staticProps_group_counter += 1;
1317	+
1318	+	if (update_arg( 0 ,
1319	+	0 , &(args_info->count_given),
1320	+	&(local_args_info.count_given), optarg, 0, 0, ARG_NO,
1321	+	check_ambiguity, override, 0, 0,
1322	+	"count", '-',
1323	+	additional_error))
1324	+	goto failure;
1325	+
1326	+	}
1327	+	/* g(z). */
1328	+	else if (strcmp (long_options[option_index].name, "gofz") == 0)
1329	+	{
1330	+
1331	+	if (args_info->staticProps_group_counter && override)
1332	+	reset_group_staticProps (args_info);
1333	+	args_info->staticProps_group_counter += 1;
1334	+
1335	+	if (update_arg( 0 ,
1336	+	0 , &(args_info->gofz_given),
1337	+	&(local_args_info.gofz_given), optarg, 0, 0, ARG_NO,
1338	+	check_ambiguity, override, 0, 0,
1339	+	"gofz", '-',
1340	+	additional_error))
1341	+	goto failure;
1342	+
1343	+	}
1344		/* g(r, cos(theta)). */
1345		else if (strcmp (long_options[option_index].name, "r_theta") == 0)
1346		{
1347	<	if (local_args_info.r_theta_given)
1249	<	{
1250	<	fprintf (stderr, "%s: `--r_theta' option given more than once%s\n", argv[0], (additional_error ? additional_error : ""));
1251	<	goto failure;
1252	<	}
1253	<	if (args_info->r_theta_given && ! override)
1254	<	continue;
1255	<	local_args_info.r_theta_given = 1;
1256	<	args_info->r_theta_given = 1;
1347	>
1348		if (args_info->staticProps_group_counter && override)
1349		reset_group_staticProps (args_info);
1350		args_info->staticProps_group_counter += 1;
1351	<	break;
1351	>
1352	>	if (update_arg( 0 ,
1353	>	0 , &(args_info->r_theta_given),
1354	>	&(local_args_info.r_theta_given), optarg, 0, 0, ARG_NO,
1355	>	check_ambiguity, override, 0, 0,
1356	>	"r_theta", '-',
1357	>	additional_error))
1358	>	goto failure;
1359	>
1360		}
1361		/* g(r, cos(omega)). */
1362		else if (strcmp (long_options[option_index].name, "r_omega") == 0)
1363		{
1364	<	if (local_args_info.r_omega_given)
1266	<	{
1267	<	fprintf (stderr, "%s: `--r_omega' option given more than once%s\n", argv[0], (additional_error ? additional_error : ""));
1268	<	goto failure;
1269	<	}
1270	<	if (args_info->r_omega_given && ! override)
1271	<	continue;
1272	<	local_args_info.r_omega_given = 1;
1273	<	args_info->r_omega_given = 1;
1364	>
1365		if (args_info->staticProps_group_counter && override)
1366		reset_group_staticProps (args_info);
1367		args_info->staticProps_group_counter += 1;
1368	<	break;
1368	>
1369	>	if (update_arg( 0 ,
1370	>	0 , &(args_info->r_omega_given),
1371	>	&(local_args_info.r_omega_given), optarg, 0, 0, ARG_NO,
1372	>	check_ambiguity, override, 0, 0,
1373	>	"r_omega", '-',
1374	>	additional_error))
1375	>	goto failure;
1376	>
1377	>	}
1378	>	/* g(r, z). */
1379	>	else if (strcmp (long_options[option_index].name, "r_z") == 0)
1380	>	{
1381	>
1382	>	if (args_info->staticProps_group_counter && override)
1383	>	reset_group_staticProps (args_info);
1384	>	args_info->staticProps_group_counter += 1;
1385	>
1386	>	if (update_arg( 0 ,
1387	>	0 , &(args_info->r_z_given),
1388	>	&(local_args_info.r_z_given), optarg, 0, 0, ARG_NO,
1389	>	check_ambiguity, override, 0, 0,
1390	>	"r_z", '-',
1391	>	additional_error))
1392	>	goto failure;
1393	>
1394		}
1395		/* g(cos(theta), cos(omega)). */
1396		else if (strcmp (long_options[option_index].name, "theta_omega") == 0)
1397		{
1398	<	if (local_args_info.theta_omega_given)
1283	<	{
1284	<	fprintf (stderr, "%s: `--theta_omega' option given more than once%s\n", argv[0], (additional_error ? additional_error : ""));
1285	<	goto failure;
1286	<	}
1287	<	if (args_info->theta_omega_given && ! override)
1288	<	continue;
1289	<	local_args_info.theta_omega_given = 1;
1290	<	args_info->theta_omega_given = 1;
1398	>
1399		if (args_info->staticProps_group_counter && override)
1400		reset_group_staticProps (args_info);
1401		args_info->staticProps_group_counter += 1;
1402	<	break;
1402	>
1403	>	if (update_arg( 0 ,
1404	>	0 , &(args_info->theta_omega_given),
1405	>	&(local_args_info.theta_omega_given), optarg, 0, 0, ARG_NO,
1406	>	check_ambiguity, override, 0, 0,
1407	>	"theta_omega", '-',
1408	>	additional_error))
1409	>	goto failure;
1410	>
1411		}
1412		/* g(x, y, z). */
1413		else if (strcmp (long_options[option_index].name, "gxyz") == 0)
1414		{
1415	<	if (local_args_info.gxyz_given)
1300	<	{
1301	<	fprintf (stderr, "%s: `--gxyz' option given more than once%s\n", argv[0], (additional_error ? additional_error : ""));
1302	<	goto failure;
1303	<	}
1304	<	if (args_info->gxyz_given && ! override)
1305	<	continue;
1306	<	local_args_info.gxyz_given = 1;
1307	<	args_info->gxyz_given = 1;
1415	>
1416		if (args_info->staticProps_group_counter && override)
1417		reset_group_staticProps (args_info);
1418		args_info->staticProps_group_counter += 1;
1419	<	break;
1419	>
1420	>	if (update_arg( 0 ,
1421	>	0 , &(args_info->gxyz_given),
1422	>	&(local_args_info.gxyz_given), optarg, 0, 0, ARG_NO,
1423	>	check_ambiguity, override, 0, 0,
1424	>	"gxyz", '-',
1425	>	additional_error))
1426	>	goto failure;
1427	>
1428		}
1429	+	/* 2D g(r) (Slab width --dz must be specified). */
1430	+	else if (strcmp (long_options[option_index].name, "twodgofr") == 0)
1431	+	{
1432	+
1433	+	if (args_info->staticProps_group_counter && override)
1434	+	reset_group_staticProps (args_info);
1435	+	args_info->staticProps_group_counter += 1;
1436	+
1437	+	if (update_arg( 0 ,
1438	+	0 , &(args_info->twodgofr_given),
1439	+	&(local_args_info.twodgofr_given), optarg, 0, 0, ARG_NO,
1440	+	check_ambiguity, override, 0, 0,
1441	+	"twodgofr", '-',
1442	+	additional_error))
1443	+	goto failure;
1444	+
1445	+	}
1446		/* rp2 order parameter (--sele1 and --sele2 must be specified). */
1447		else if (strcmp (long_options[option_index].name, "rp2") == 0)
1448		{
1449	<	if (local_args_info.rp2_given)
1317	<	{
1318	<	fprintf (stderr, "%s: `--rp2' option given more than once%s\n", argv[0], (additional_error ? additional_error : ""));
1319	<	goto failure;
1320	<	}
1321	<	if (args_info->rp2_given && ! override)
1322	<	continue;
1323	<	local_args_info.rp2_given = 1;
1324	<	args_info->rp2_given = 1;
1449	>
1450		if (args_info->staticProps_group_counter && override)
1451		reset_group_staticProps (args_info);
1452		args_info->staticProps_group_counter += 1;
1453	<	break;
1453	>
1454	>	if (update_arg( 0 ,
1455	>	0 , &(args_info->rp2_given),
1456	>	&(local_args_info.rp2_given), optarg, 0, 0, ARG_NO,
1457	>	check_ambiguity, override, 0, 0,
1458	>	"rp2", '-',
1459	>	additional_error))
1460	>	goto failure;
1461	>
1462		}
1463		/* slab density. */
1464		else if (strcmp (long_options[option_index].name, "slab_density") == 0)
1465		{
1466	<	if (local_args_info.slab_density_given)
1334	<	{
1335	<	fprintf (stderr, "%s: `--slab_density' option given more than once%s\n", argv[0], (additional_error ? additional_error : ""));
1336	<	goto failure;
1337	<	}
1338	<	if (args_info->slab_density_given && ! override)
1339	<	continue;
1340	<	local_args_info.slab_density_given = 1;
1341	<	args_info->slab_density_given = 1;
1466	>
1467		if (args_info->staticProps_group_counter && override)
1468		reset_group_staticProps (args_info);
1469		args_info->staticProps_group_counter += 1;
1470	<	break;
1470	>
1471	>	if (update_arg( 0 ,
1472	>	0 , &(args_info->slab_density_given),
1473	>	&(local_args_info.slab_density_given), optarg, 0, 0, ARG_NO,
1474	>	check_ambiguity, override, 0, 0,
1475	>	"slab_density", '-',
1476	>	additional_error))
1477	>	goto failure;
1478	>
1479		}
1480	+	/* p(cos(theta)). */
1481	+	else if (strcmp (long_options[option_index].name, "p_angle") == 0)
1482	+	{
1483	+
1484	+	if (args_info->staticProps_group_counter && override)
1485	+	reset_group_staticProps (args_info);
1486	+	args_info->staticProps_group_counter += 1;
1487	+
1488	+	if (update_arg( 0 ,
1489	+	0 , &(args_info->p_angle_given),
1490	+	&(local_args_info.p_angle_given), optarg, 0, 0, ARG_NO,
1491	+	check_ambiguity, override, 0, 0,
1492	+	"p_angle", '-',
1493	+	additional_error))
1494	+	goto failure;
1495	+
1496	+	}
1497		/* hxy. */
1498		else if (strcmp (long_options[option_index].name, "hxy") == 0)
1499		{
1500	<	if (local_args_info.hxy_given)
1351	<	{
1352	<	fprintf (stderr, "%s: `--hxy' option given more than once%s\n", argv[0], (additional_error ? additional_error : ""));
1353	<	goto failure;
1354	<	}
1355	<	if (args_info->hxy_given && ! override)
1356	<	continue;
1357	<	local_args_info.hxy_given = 1;
1358	<	args_info->hxy_given = 1;
1500	>
1501		if (args_info->staticProps_group_counter && override)
1502		reset_group_staticProps (args_info);
1503		args_info->staticProps_group_counter += 1;
1504	<	break;
1504	>
1505	>	if (update_arg( 0 ,
1506	>	0 , &(args_info->hxy_given),
1507	>	&(local_args_info.hxy_given), optarg, 0, 0, ARG_NO,
1508	>	check_ambiguity, override, 0, 0,
1509	>	"hxy", '-',
1510	>	additional_error))
1511	>	goto failure;
1512	>
1513		}
1514		/* rho of R. */
1515		else if (strcmp (long_options[option_index].name, "rho_r") == 0)
1516		{
1517	<	if (local_args_info.rho_r_given)
1368	<	{
1369	<	fprintf (stderr, "%s: `--rho_r' option given more than once%s\n", argv[0], (additional_error ? additional_error : ""));
1370	<	goto failure;
1371	<	}
1372	<	if (args_info->rho_r_given && ! override)
1373	<	continue;
1374	<	local_args_info.rho_r_given = 1;
1375	<	args_info->rho_r_given = 1;
1517	>
1518		if (args_info->staticProps_group_counter && override)
1519		reset_group_staticProps (args_info);
1520		args_info->staticProps_group_counter += 1;
1521	<	break;
1521	>
1522	>	if (update_arg( 0 ,
1523	>	0 , &(args_info->rho_r_given),
1524	>	&(local_args_info.rho_r_given), optarg, 0, 0, ARG_NO,
1525	>	check_ambiguity, override, 0, 0,
1526	>	"rho_r", '-',
1527	>	additional_error))
1528	>	goto failure;
1529	>
1530		}
1531	+	/* angle of R. */
1532	+	else if (strcmp (long_options[option_index].name, "angle_r") == 0)
1533	+	{
1534	+
1535	+	if (args_info->staticProps_group_counter && override)
1536	+	reset_group_staticProps (args_info);
1537	+	args_info->staticProps_group_counter += 1;
1538	+
1539	+	if (update_arg( 0 ,
1540	+	0 , &(args_info->angle_r_given),
1541	+	&(local_args_info.angle_r_given), optarg, 0, 0, ARG_NO,
1542	+	check_ambiguity, override, 0, 0,
1543	+	"angle_r", '-',
1544	+	additional_error))
1545	+	goto failure;
1546	+
1547	+	}
1548		/* hull volume of nanoparticle. */
1549		else if (strcmp (long_options[option_index].name, "hullvol") == 0)
1550		{
1551	<	if (local_args_info.hullvol_given)
1385	<	{
1386	<	fprintf (stderr, "%s: `--hullvol' option given more than once%s\n", argv[0], (additional_error ? additional_error : ""));
1387	<	goto failure;
1388	<	}
1389	<	if (args_info->hullvol_given && ! override)
1390	<	continue;
1391	<	local_args_info.hullvol_given = 1;
1392	<	args_info->hullvol_given = 1;
1551	>
1552		if (args_info->staticProps_group_counter && override)
1553		reset_group_staticProps (args_info);
1554		args_info->staticProps_group_counter += 1;
1555	<	break;
1555	>
1556	>	if (update_arg( 0 ,
1557	>	0 , &(args_info->hullvol_given),
1558	>	&(local_args_info.hullvol_given), optarg, 0, 0, ARG_NO,
1559	>	check_ambiguity, override, 0, 0,
1560	>	"hullvol", '-',
1561	>	additional_error))
1562	>	goto failure;
1563	>
1564		}
1565	+	/* length of nanorod. */
1566	+	else if (strcmp (long_options[option_index].name, "rodlength") == 0)
1567	+	{
1568
1569	+	if (args_info->staticProps_group_counter && override)
1570	+	reset_group_staticProps (args_info);
1571	+	args_info->staticProps_group_counter += 1;
1572	+
1573	+	if (update_arg( 0 ,
1574	+	0 , &(args_info->rodlength_given),
1575	+	&(local_args_info.rodlength_given), optarg, 0, 0, ARG_NO,
1576	+	check_ambiguity, override, 0, 0,
1577	+	"rodlength", '-',
1578	+	additional_error))
1579	+	goto failure;
1580	+
1581	+	}
1582	+
1583		break;
1584		case '?': /* Invalid option. */
1585		/* `getopt_long' already printed an error message. */
#	Line 1409 \| Line 1593 \| *cmdline_parser_internal (int argc, char const argv,*
1593
1594		if (args_info->staticProps_group_counter > 1)
1595		{
1596	<	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 : ""));
1596	>	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 : ""));
1597		error = 1;
1598		}
1599

Comparing:
trunk/src/applications/staticProps/StaticPropsCmd.c (property svn:keywords), Revision 1180 by chuckv, Mon Sep 17 20:05:51 2007 UTC vs.
branches/development/src/applications/staticProps/StaticPropsCmd.c (property svn:keywords), Revision 1629 by gezelter, Wed Sep 14 21:15:17 2011 UTC

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

Diff Legend

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

Comparing: trunk/src/applications/staticProps/StaticPropsCmd.c (file contents), Revision 1180 by chuckv, Mon Sep 17 20:05:51 2007 UTC vs. branches/development/src/applications/staticProps/StaticPropsCmd.c (file contents), Revision 1629 by gezelter, Wed Sep 14 21:15:17 2011 UTC

Comparing: trunk/src/applications/staticProps/StaticPropsCmd.c (property svn:keywords), Revision 1180 by chuckv, Mon Sep 17 20:05:51 2007 UTC vs. branches/development/src/applications/staticProps/StaticPropsCmd.c (property svn:keywords), Revision 1629 by gezelter, Wed Sep 14 21:15:17 2011 UTC

Diff Legend

Comparing:
trunk/src/applications/staticProps/StaticPropsCmd.c (file contents), Revision 1180 by chuckv, Mon Sep 17 20:05:51 2007 UTC vs.
branches/development/src/applications/staticProps/StaticPropsCmd.c (file contents), Revision 1629 by gezelter, Wed Sep 14 21:15:17 2011 UTC

Comparing:
trunk/src/applications/staticProps/StaticPropsCmd.c (property svn:keywords), Revision 1180 by chuckv, Mon Sep 17 20:05:51 2007 UTC vs.
branches/development/src/applications/staticProps/StaticPropsCmd.c (property svn:keywords), Revision 1629 by gezelter, Wed Sep 14 21:15:17 2011 UTC