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

Comparing:
trunk/src/applications/staticProps/StaticPropsCmd.c (file contents), Revision 1390 by gezelter, Wed Nov 25 20:02:06 2009 UTC vs.
trunk/src/applications/staticProps/StaticPropsCmd.cpp (file contents), Revision 1992 by gezelter, Thu Apr 24 17:30:00 2014 UTC

#	Line 1 | Line 1
1		/*
2	<	File autogenerated by gengetopt version 2.22
2	>	File autogenerated by gengetopt version 2.22.4
3		generated with the following command:
4	<	gengetopt -F StaticPropsCmd
4	>	gengetopt --file-name=StaticPropsCmd --unamed-opts
5
6		The developers of gengetopt consider the fixed text that goes in all
7		gengetopt output files to be in the public domain:
#	Line 17 | Line 17
17		#include <stdlib.h>
18		#include <string.h>
19
20	<	#include "getopt.h"
20	>	#ifndef FIX_UNUSED
21	>	#define FIX_UNUSED(X) (void) (X) /* avoid warnings for unused params */
22	>	#endif
23
24	+	#ifdef WIN32
25	+	#include "utils/wingetopt.h"
26	+	#else
27	+	#include <getopt.h>
28	+	#endif
29	+
30		#include "StaticPropsCmd.h"
31
32		const char *gengetopt_args_info_purpose = "";
33
34	<	const char *gengetopt_args_info_usage = "Usage: StaticProps [OPTIONS]...";
34	>	const char *gengetopt_args_info_usage = "Usage: StaticProps [OPTIONS]... [FILES]...";
35
36		const char *gengetopt_args_info_description = "";
37
#	Line 36 | Line 44 | const char *gengetopt_args_info_help[] = {
44		"  -b, --nbins=INT               number of bins (general purpose)  \n                                  (default=`100')",
45		"  -x, --nbins_x=INT             number of bins in x axis  (default=`100')",
46		"  -y, --nbins_y=INT             number of bins in y axis  (default=`100')",
47	+	"      --nbins_z=INT             number of bins in z axis  (default=`100')",
48		"  -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)",
49		"  -c, --rcut=DOUBLE             cutoff radius (rcut)",
50	+	"      --dz=DOUBLE               slab width (dz)",
51	+	"      --length=DOUBLE           maximum length (Defaults to 1/2 smallest length \n                                  of first frame)",
52	+	"      --zlength=DOUBLE          maximum length (Defaults to 1/2 smallest length \n                                  of first frame)",
53		"  -z, --zoffset=DOUBLE          Where to set the zero for the slab_density \n                                  calculation  (default=`0')",
54		"      --sele1=selection script  select the first stuntdouble set",
55		"      --sele2=selection script  select the second stuntdouble set",
56		"      --sele3=selection script  select the third stuntdouble set",
57		"      --refsele=selection script\n                                select reference (use and only use with --gxyz)",
58		"      --comsele=selection script\n                                select stunt doubles for center-of-mass \n                                  reference point",
59	+	"      --seleoffset=INT          global index offset for a second object (used \n                                  to define a vector between sites in molecule)",
60	+	"      --seleoffset2=INT         global index offset for a third object (used to \n                                  define a vector between sites in molecule)",
61		"      --molname=STRING          molecule name",
62		"      --begin=INT               begin internal index",
63		"      --end=INT                 end internal index",
64		"      --radius=DOUBLE           nanoparticle radius",
65		"\n Group: staticProps\n   an option of this group is required",
66		"      --bo                      bond order parameter (--rcut must be specified)",
67	<	"      --bor                     bond order parameter as a function of radius \n                                  (--rcut must be specified)",
67	>	"      --ior                     icosahedral bond order parameter as a function \n                                  of radius (--rcut must be specified)",
68	>	"      --for                     FCC bond order parameter as a function of \n                                  radius (--rcut must be specified)",
69		"      --bad                     N(theta) bond angle density within (--rcut must \n                                  be specified)",
70	+	"      --count                   count of molecules matching selection criteria \n                                  (and associated statistics)",
71		"  -g, --gofr                    g(r)",
72		"      --gofz                    g(z)",
73		"      --r_theta                 g(r, cos(theta))",
74		"      --r_omega                 g(r, cos(omega))",
75	+	"      --r_z                     g(r, z)",
76		"      --theta_omega             g(cos(theta), cos(omega))",
77		"      --gxyz                    g(x, y, z)",
78	<	"  -p, --p2                      p2 order parameter (--sele1 and --sele2 must be \n                                  specified)",
78	>	"      --twodgofr                2D g(r) (Slab width --dz must be specified)",
79	>	"  -p, --p2                      p2 order parameter (--sele1 must be specified, \n                                  --sele2 is optional)",
80		"      --rp2                     rp2 order parameter (--sele1 and --sele2 must \n                                  be specified)",
81		"  -s, --scd                     scd order parameter (either --sele1, --sele2, \n                                  --sele3 are specified or --molname, --begin, \n                                  --end are specified)",
82		"  -d, --density                 density plot",
83		"      --slab_density            slab density",
84	+	"      --p_angle                 p(cos(theta)) (--sele1 must be specified, \n                                  --sele2 is optional)",
85		"      --hxy                     hxy",
86		"      --rho_r                   rho of R",
87	+	"      --angle_r                 angle of R",
88		"      --hullvol                 hull volume of nanoparticle",
89	+	"      --rodlength               length of nanorod",
90	+	"  -Q, --tet_param               tetrahedrality order parameter (Qk)",
91	+	"      --tet_param_z             spatially-resolved tetrahedrality order \n                                  parameter Qk(z)",
92	+	"      --rnemdz                  slab-resolved RNEMD statistics (temperature, \n                                  density, velocity)",
93	+	"      --rnemdr                  shell-resolved RNEMD statistics (temperature, \n                                  density, angular velocity)",
94	+	"      --rnemdrt                 shell and angle-resolved RNEMD statistics \n                                  (temperature, density, angular velocity)",
95		0
96		};
97
#	Line 82 | Line 107 | static int
107		void clear_args (struct gengetopt_args_info *args_info);
108
109		static int
110	<	cmdline_parser_internal (int argc, char * const *argv, struct gengetopt_args_info *args_info,
110	>	cmdline_parser_internal (int argc, char **argv, struct gengetopt_args_info *args_info,
111		struct cmdline_parser_params *params, const char *additional_error);
112
113		static int
#	Line 102 | Line 127 | void clear_given (struct gengetopt_args_info *args_inf
127		args_info->nbins_given = 0 ;
128		args_info->nbins_x_given = 0 ;
129		args_info->nbins_y_given = 0 ;
130	+	args_info->nbins_z_given = 0 ;
131		args_info->nanglebins_given = 0 ;
106	–	args_info->length_given = 0 ;
132		args_info->rcut_given = 0 ;
133	+	args_info->dz_given = 0 ;
134	+	args_info->length_given = 0 ;
135	+	args_info->zlength_given = 0 ;
136		args_info->zoffset_given = 0 ;
137		args_info->sele1_given = 0 ;
138		args_info->sele2_given = 0 ;
139		args_info->sele3_given = 0 ;
140		args_info->refsele_given = 0 ;
141		args_info->comsele_given = 0 ;
142	+	args_info->seleoffset_given = 0 ;
143	+	args_info->seleoffset2_given = 0 ;
144		args_info->molname_given = 0 ;
145		args_info->begin_given = 0 ;
146		args_info->end_given = 0 ;
147		args_info->radius_given = 0 ;
148		args_info->bo_given = 0 ;
149	<	args_info->bor_given = 0 ;
149	>	args_info->ior_given = 0 ;
150	>	args_info->for_given = 0 ;
151		args_info->bad_given = 0 ;
152	+	args_info->count_given = 0 ;
153		args_info->gofr_given = 0 ;
154		args_info->gofz_given = 0 ;
155		args_info->r_theta_given = 0 ;
156		args_info->r_omega_given = 0 ;
157	+	args_info->r_z_given = 0 ;
158		args_info->theta_omega_given = 0 ;
159		args_info->gxyz_given = 0 ;
160	+	args_info->twodgofr_given = 0 ;
161		args_info->p2_given = 0 ;
162		args_info->rp2_given = 0 ;
163		args_info->scd_given = 0 ;
164		args_info->density_given = 0 ;
165		args_info->slab_density_given = 0 ;
166	+	args_info->p_angle_given = 0 ;
167		args_info->hxy_given = 0 ;
168		args_info->rho_r_given = 0 ;
169	+	args_info->angle_r_given = 0 ;
170		args_info->hullvol_given = 0 ;
171	+	args_info->rodlength_given = 0 ;
172	+	args_info->tet_param_given = 0 ;
173	+	args_info->tet_param_z_given = 0 ;
174	+	args_info->rnemdz_given = 0 ;
175	+	args_info->rnemdr_given = 0 ;
176	+	args_info->rnemdrt_given = 0 ;
177		args_info->staticProps_group_counter = 0 ;
178		}
179
180		static
181		void clear_args (struct gengetopt_args_info *args_info)
182		{
183	+	FIX_UNUSED (args_info);
184		args_info->input_arg = NULL;
185		args_info->input_orig = NULL;
186		args_info->output_arg = NULL;
#	Line 150 | Line 193 | void clear_args (struct gengetopt_args_info *args_info
193		args_info->nbins_x_orig = NULL;
194		args_info->nbins_y_arg = 100;
195		args_info->nbins_y_orig = NULL;
196	+	args_info->nbins_z_arg = 100;
197	+	args_info->nbins_z_orig = NULL;
198		args_info->nanglebins_arg = 50;
199		args_info->nanglebins_orig = NULL;
155	–	args_info->length_orig = NULL;
200		args_info->rcut_orig = NULL;
201	+	args_info->dz_orig = NULL;
202	+	args_info->length_orig = NULL;
203	+	args_info->zlength_orig = NULL;
204		args_info->zoffset_arg = 0;
205		args_info->zoffset_orig = NULL;
206		args_info->sele1_arg = NULL;
#	Line 166 | Line 213 | void clear_args (struct gengetopt_args_info *args_info
213		args_info->refsele_orig = NULL;
214		args_info->comsele_arg = NULL;
215		args_info->comsele_orig = NULL;
216	+	args_info->seleoffset_orig = NULL;
217	+	args_info->seleoffset2_orig = NULL;
218		args_info->molname_arg = NULL;
219		args_info->molname_orig = NULL;
220		args_info->begin_orig = NULL;
#	Line 187 | Line 236 | void init_args_info(struct gengetopt_args_info *args_i
236		args_info->nbins_help = gengetopt_args_info_help[5] ;
237		args_info->nbins_x_help = gengetopt_args_info_help[6] ;
238		args_info->nbins_y_help = gengetopt_args_info_help[7] ;
239	<	args_info->nanglebins_help = gengetopt_args_info_help[8] ;
240	<	args_info->length_help = gengetopt_args_info_help[9] ;
239	>	args_info->nbins_z_help = gengetopt_args_info_help[8] ;
240	>	args_info->nanglebins_help = gengetopt_args_info_help[9] ;
241		args_info->rcut_help = gengetopt_args_info_help[10] ;
242	<	args_info->zoffset_help = gengetopt_args_info_help[11] ;
243	<	args_info->sele1_help = gengetopt_args_info_help[12] ;
244	<	args_info->sele2_help = gengetopt_args_info_help[13] ;
245	<	args_info->sele3_help = gengetopt_args_info_help[14] ;
246	<	args_info->refsele_help = gengetopt_args_info_help[15] ;
247	<	args_info->comsele_help = gengetopt_args_info_help[16] ;
248	<	args_info->molname_help = gengetopt_args_info_help[17] ;
249	<	args_info->begin_help = gengetopt_args_info_help[18] ;
250	<	args_info->end_help = gengetopt_args_info_help[19] ;
251	<	args_info->radius_help = gengetopt_args_info_help[20] ;
252	<	args_info->bo_help = gengetopt_args_info_help[22] ;
253	<	args_info->bor_help = gengetopt_args_info_help[23] ;
254	<	args_info->bad_help = gengetopt_args_info_help[24] ;
255	<	args_info->gofr_help = gengetopt_args_info_help[25] ;
256	<	args_info->gofz_help = gengetopt_args_info_help[26] ;
257	<	args_info->r_theta_help = gengetopt_args_info_help[27] ;
258	<	args_info->r_omega_help = gengetopt_args_info_help[28] ;
259	<	args_info->theta_omega_help = gengetopt_args_info_help[29] ;
260	<	args_info->gxyz_help = gengetopt_args_info_help[30] ;
261	<	args_info->p2_help = gengetopt_args_info_help[31] ;
262	<	args_info->rp2_help = gengetopt_args_info_help[32] ;
263	<	args_info->scd_help = gengetopt_args_info_help[33] ;
264	<	args_info->density_help = gengetopt_args_info_help[34] ;
265	<	args_info->slab_density_help = gengetopt_args_info_help[35] ;
266	<	args_info->hxy_help = gengetopt_args_info_help[36] ;
267	<	args_info->rho_r_help = gengetopt_args_info_help[37] ;
268	<	args_info->hullvol_help = gengetopt_args_info_help[38] ;
242	>	args_info->dz_help = gengetopt_args_info_help[11] ;
243	>	args_info->length_help = gengetopt_args_info_help[12] ;
244	>	args_info->zlength_help = gengetopt_args_info_help[13] ;
245	>	args_info->zoffset_help = gengetopt_args_info_help[14] ;
246	>	args_info->sele1_help = gengetopt_args_info_help[15] ;
247	>	args_info->sele2_help = gengetopt_args_info_help[16] ;
248	>	args_info->sele3_help = gengetopt_args_info_help[17] ;
249	>	args_info->refsele_help = gengetopt_args_info_help[18] ;
250	>	args_info->comsele_help = gengetopt_args_info_help[19] ;
251	>	args_info->seleoffset_help = gengetopt_args_info_help[20] ;
252	>	args_info->seleoffset2_help = gengetopt_args_info_help[21] ;
253	>	args_info->molname_help = gengetopt_args_info_help[22] ;
254	>	args_info->begin_help = gengetopt_args_info_help[23] ;
255	>	args_info->end_help = gengetopt_args_info_help[24] ;
256	>	args_info->radius_help = gengetopt_args_info_help[25] ;
257	>	args_info->bo_help = gengetopt_args_info_help[27] ;
258	>	args_info->ior_help = gengetopt_args_info_help[28] ;
259	>	args_info->for_help = gengetopt_args_info_help[29] ;
260	>	args_info->bad_help = gengetopt_args_info_help[30] ;
261	>	args_info->count_help = gengetopt_args_info_help[31] ;
262	>	args_info->gofr_help = gengetopt_args_info_help[32] ;
263	>	args_info->gofz_help = gengetopt_args_info_help[33] ;
264	>	args_info->r_theta_help = gengetopt_args_info_help[34] ;
265	>	args_info->r_omega_help = gengetopt_args_info_help[35] ;
266	>	args_info->r_z_help = gengetopt_args_info_help[36] ;
267	>	args_info->theta_omega_help = gengetopt_args_info_help[37] ;
268	>	args_info->gxyz_help = gengetopt_args_info_help[38] ;
269	>	args_info->twodgofr_help = gengetopt_args_info_help[39] ;
270	>	args_info->p2_help = gengetopt_args_info_help[40] ;
271	>	args_info->rp2_help = gengetopt_args_info_help[41] ;
272	>	args_info->scd_help = gengetopt_args_info_help[42] ;
273	>	args_info->density_help = gengetopt_args_info_help[43] ;
274	>	args_info->slab_density_help = gengetopt_args_info_help[44] ;
275	>	args_info->p_angle_help = gengetopt_args_info_help[45] ;
276	>	args_info->hxy_help = gengetopt_args_info_help[46] ;
277	>	args_info->rho_r_help = gengetopt_args_info_help[47] ;
278	>	args_info->angle_r_help = gengetopt_args_info_help[48] ;
279	>	args_info->hullvol_help = gengetopt_args_info_help[49] ;
280	>	args_info->rodlength_help = gengetopt_args_info_help[50] ;
281	>	args_info->tet_param_help = gengetopt_args_info_help[51] ;
282	>	args_info->tet_param_z_help = gengetopt_args_info_help[52] ;
283	>	args_info->rnemdz_help = gengetopt_args_info_help[53] ;
284	>	args_info->rnemdr_help = gengetopt_args_info_help[54] ;
285	>	args_info->rnemdrt_help = gengetopt_args_info_help[55] ;
286
287		}
288
289		void
290		cmdline_parser_print_version (void)
291		{
292	<	printf ("%s %s\n", CMDLINE_PARSER_PACKAGE, CMDLINE_PARSER_VERSION);
292	>	printf ("%s %s\n",
293	>	(strlen(CMDLINE_PARSER_PACKAGE_NAME) ? CMDLINE_PARSER_PACKAGE_NAME : CMDLINE_PARSER_PACKAGE),
294	>	CMDLINE_PARSER_VERSION);
295		}
296
297		static void print_help_common(void) {
#	Line 238 | Line 306 | static void print_help_common(void) {
306		printf("\n");
307
308		if (strlen(gengetopt_args_info_description) > 0)
309	<	printf("%s\n", gengetopt_args_info_description);
309	>	printf("%s\n\n", gengetopt_args_info_description);
310		}
311
312		void
#	Line 256 | Line 324 | cmdline_parser_init (struct gengetopt_args_info *args_
324		clear_given (args_info);
325		clear_args (args_info);
326		init_args_info (args_info);
327	+
328	+	args_info->inputs = 0;
329	+	args_info->inputs_num = 0;
330		}
331
332		void
#	Line 294 | Line 365 | cmdline_parser_release (struct gengetopt_args_info *ar
365		static void
366		cmdline_parser_release (struct gengetopt_args_info *args_info)
367		{
368	<
368	>	unsigned int i;
369		free_string_field (&(args_info->input_arg));
370		free_string_field (&(args_info->input_orig));
371		free_string_field (&(args_info->output_arg));
#	Line 303 | Line 374 | cmdline_parser_release (struct gengetopt_args_info *ar
374		free_string_field (&(args_info->nbins_orig));
375		free_string_field (&(args_info->nbins_x_orig));
376		free_string_field (&(args_info->nbins_y_orig));
377	+	free_string_field (&(args_info->nbins_z_orig));
378		free_string_field (&(args_info->nanglebins_orig));
307	–	free_string_field (&(args_info->length_orig));
379		free_string_field (&(args_info->rcut_orig));
380	+	free_string_field (&(args_info->dz_orig));
381	+	free_string_field (&(args_info->length_orig));
382	+	free_string_field (&(args_info->zlength_orig));
383		free_string_field (&(args_info->zoffset_orig));
384		free_string_field (&(args_info->sele1_arg));
385		free_string_field (&(args_info->sele1_orig));
#	Line 317 | Line 391 | cmdline_parser_release (struct gengetopt_args_info *ar
391		free_string_field (&(args_info->refsele_orig));
392		free_string_field (&(args_info->comsele_arg));
393		free_string_field (&(args_info->comsele_orig));
394	+	free_string_field (&(args_info->seleoffset_orig));
395	+	free_string_field (&(args_info->seleoffset2_orig));
396		free_string_field (&(args_info->molname_arg));
397		free_string_field (&(args_info->molname_orig));
398		free_string_field (&(args_info->begin_orig));
#	Line 324 | Line 400 | cmdline_parser_release (struct gengetopt_args_info *ar
400		free_string_field (&(args_info->radius_orig));
401
402
403	+	for (i = 0; i < args_info->inputs_num; ++i)
404	+	free (args_info->inputs [i]);
405
406	+	if (args_info->inputs_num)
407	+	free (args_info->inputs);
408	+
409		clear_given (args_info);
410		}
411
412
413		static void
414	<	write_into_file(FILE *outfile, const char *opt, const char *arg, char *values[])
414	>	write_into_file(FILE *outfile, const char *opt, const char *arg, const char *values[])
415		{
416	+	FIX_UNUSED (values);
417		if (arg) {
418		fprintf(outfile, "%s=\"%s\"\n", opt, arg);
419		} else {
#	Line 367 | Line 449 | cmdline_parser_dump(FILE *outfile, struct gengetopt_ar
449		write_into_file(outfile, "nbins_x", args_info->nbins_x_orig, 0);
450		if (args_info->nbins_y_given)
451		write_into_file(outfile, "nbins_y", args_info->nbins_y_orig, 0);
452	+	if (args_info->nbins_z_given)
453	+	write_into_file(outfile, "nbins_z", args_info->nbins_z_orig, 0);
454		if (args_info->nanglebins_given)
455		write_into_file(outfile, "nanglebins", args_info->nanglebins_orig, 0);
372	–	if (args_info->length_given)
373	–	write_into_file(outfile, "length", args_info->length_orig, 0);
456		if (args_info->rcut_given)
457		write_into_file(outfile, "rcut", args_info->rcut_orig, 0);
458	+	if (args_info->dz_given)
459	+	write_into_file(outfile, "dz", args_info->dz_orig, 0);
460	+	if (args_info->length_given)
461	+	write_into_file(outfile, "length", args_info->length_orig, 0);
462	+	if (args_info->zlength_given)
463	+	write_into_file(outfile, "zlength", args_info->zlength_orig, 0);
464		if (args_info->zoffset_given)
465		write_into_file(outfile, "zoffset", args_info->zoffset_orig, 0);
466		if (args_info->sele1_given)
#	Line 385 | Line 473 | cmdline_parser_dump(FILE *outfile, struct gengetopt_ar
473		write_into_file(outfile, "refsele", args_info->refsele_orig, 0);
474		if (args_info->comsele_given)
475		write_into_file(outfile, "comsele", args_info->comsele_orig, 0);
476	+	if (args_info->seleoffset_given)
477	+	write_into_file(outfile, "seleoffset", args_info->seleoffset_orig, 0);
478	+	if (args_info->seleoffset2_given)
479	+	write_into_file(outfile, "seleoffset2", args_info->seleoffset2_orig, 0);
480		if (args_info->molname_given)
481		write_into_file(outfile, "molname", args_info->molname_orig, 0);
482		if (args_info->begin_given)
#	Line 395 | Line 487 | cmdline_parser_dump(FILE *outfile, struct gengetopt_ar
487		write_into_file(outfile, "radius", args_info->radius_orig, 0);
488		if (args_info->bo_given)
489		write_into_file(outfile, "bo", 0, 0 );
490	<	if (args_info->bor_given)
491	<	write_into_file(outfile, "bor", 0, 0 );
490	>	if (args_info->ior_given)
491	>	write_into_file(outfile, "ior", 0, 0 );
492	>	if (args_info->for_given)
493	>	write_into_file(outfile, "for", 0, 0 );
494		if (args_info->bad_given)
495		write_into_file(outfile, "bad", 0, 0 );
496	+	if (args_info->count_given)
497	+	write_into_file(outfile, "count", 0, 0 );
498		if (args_info->gofr_given)
499		write_into_file(outfile, "gofr", 0, 0 );
500		if (args_info->gofz_given)
#	Line 407 | Line 503 | cmdline_parser_dump(FILE *outfile, struct gengetopt_ar
503		write_into_file(outfile, "r_theta", 0, 0 );
504		if (args_info->r_omega_given)
505		write_into_file(outfile, "r_omega", 0, 0 );
506	+	if (args_info->r_z_given)
507	+	write_into_file(outfile, "r_z", 0, 0 );
508		if (args_info->theta_omega_given)
509		write_into_file(outfile, "theta_omega", 0, 0 );
510		if (args_info->gxyz_given)
511		write_into_file(outfile, "gxyz", 0, 0 );
512	+	if (args_info->twodgofr_given)
513	+	write_into_file(outfile, "twodgofr", 0, 0 );
514		if (args_info->p2_given)
515		write_into_file(outfile, "p2", 0, 0 );
516		if (args_info->rp2_given)
#	Line 421 | Line 521 | cmdline_parser_dump(FILE *outfile, struct gengetopt_ar
521		write_into_file(outfile, "density", 0, 0 );
522		if (args_info->slab_density_given)
523		write_into_file(outfile, "slab_density", 0, 0 );
524	+	if (args_info->p_angle_given)
525	+	write_into_file(outfile, "p_angle", 0, 0 );
526		if (args_info->hxy_given)
527		write_into_file(outfile, "hxy", 0, 0 );
528		if (args_info->rho_r_given)
529		write_into_file(outfile, "rho_r", 0, 0 );
530	+	if (args_info->angle_r_given)
531	+	write_into_file(outfile, "angle_r", 0, 0 );
532		if (args_info->hullvol_given)
533		write_into_file(outfile, "hullvol", 0, 0 );
534	+	if (args_info->rodlength_given)
535	+	write_into_file(outfile, "rodlength", 0, 0 );
536	+	if (args_info->tet_param_given)
537	+	write_into_file(outfile, "tet_param", 0, 0 );
538	+	if (args_info->tet_param_z_given)
539	+	write_into_file(outfile, "tet_param_z", 0, 0 );
540	+	if (args_info->rnemdz_given)
541	+	write_into_file(outfile, "rnemdz", 0, 0 );
542	+	if (args_info->rnemdr_given)
543	+	write_into_file(outfile, "rnemdr", 0, 0 );
544	+	if (args_info->rnemdrt_given)
545	+	write_into_file(outfile, "rnemdrt", 0, 0 );
546
547
548		i = EXIT_SUCCESS;
#	Line 463 | Line 579 | gengetopt_strdup (const char *s)
579		char *
580		gengetopt_strdup (const char *s)
581		{
582	<	char *result = NULL;
582	>	char *result = 0;
583		if (!s)
584		return result;
585
#	Line 481 | Line 597 | reset_group_staticProps(struct gengetopt_args_info *ar
597		return;
598
599		args_info->bo_given = 0 ;
600	<	args_info->bor_given = 0 ;
600	>	args_info->ior_given = 0 ;
601	>	args_info->for_given = 0 ;
602		args_info->bad_given = 0 ;
603	+	args_info->count_given = 0 ;
604		args_info->gofr_given = 0 ;
605		args_info->gofz_given = 0 ;
606		args_info->r_theta_given = 0 ;
607		args_info->r_omega_given = 0 ;
608	+	args_info->r_z_given = 0 ;
609		args_info->theta_omega_given = 0 ;
610		args_info->gxyz_given = 0 ;
611	+	args_info->twodgofr_given = 0 ;
612		args_info->p2_given = 0 ;
613		args_info->rp2_given = 0 ;
614		args_info->scd_given = 0 ;
615		args_info->density_given = 0 ;
616		args_info->slab_density_given = 0 ;
617	+	args_info->p_angle_given = 0 ;
618		args_info->hxy_given = 0 ;
619		args_info->rho_r_given = 0 ;
620	+	args_info->angle_r_given = 0 ;
621		args_info->hullvol_given = 0 ;
622	+	args_info->rodlength_given = 0 ;
623	+	args_info->tet_param_given = 0 ;
624	+	args_info->tet_param_z_given = 0 ;
625	+	args_info->rnemdz_given = 0 ;
626	+	args_info->rnemdr_given = 0 ;
627	+	args_info->rnemdrt_given = 0 ;
628
629		args_info->staticProps_group_counter = 0;
630		}
631
632		int
633	<	cmdline_parser (int argc, char * const *argv, struct gengetopt_args_info *args_info)
633	>	cmdline_parser (int argc, char **argv, struct gengetopt_args_info *args_info)
634		{
635		return cmdline_parser2 (argc, argv, args_info, 0, 1, 1);
636		}
637
638		int
639	<	cmdline_parser_ext (int argc, char * const *argv, struct gengetopt_args_info *args_info,
639	>	cmdline_parser_ext (int argc, char **argv, struct gengetopt_args_info *args_info,
640		struct cmdline_parser_params *params)
641		{
642		int result;
643	<	result = cmdline_parser_internal (argc, argv, args_info, params, NULL);
643	>	result = cmdline_parser_internal (argc, argv, args_info, params, 0);
644
645		if (result == EXIT_FAILURE)
646		{
#	Line 524 | Line 652 | int
652		}
653
654		int
655	<	cmdline_parser2 (int argc, char * const *argv, struct gengetopt_args_info *args_info, int override, int initialize, int check_required)
655	>	cmdline_parser2 (int argc, char **argv, struct gengetopt_args_info *args_info, int override, int initialize, int check_required)
656		{
657		int result;
658		struct cmdline_parser_params params;
#	Line 535 | Line 663 | cmdline_parser2 (int argc, char * const *argv, struct
663		params.check_ambiguity = 0;
664		params.print_errors = 1;
665
666	<	result = cmdline_parser_internal (argc, argv, args_info, &params, NULL);
666	>	result = cmdline_parser_internal (argc, argv, args_info, &params, 0);
667
668		if (result == EXIT_FAILURE)
669		{
#	Line 551 | Line 679 | cmdline_parser_required (struct gengetopt_args_info *a
679		{
680		int result = EXIT_SUCCESS;
681
682	<	if (cmdline_parser_required2(args_info, prog_name, NULL) > 0)
682	>	if (cmdline_parser_required2(args_info, prog_name, 0) > 0)
683		result = EXIT_FAILURE;
684
685		if (result == EXIT_FAILURE)
#	Line 567 | Line 695 | cmdline_parser_required2 (struct gengetopt_args_info *
695		cmdline_parser_required2 (struct gengetopt_args_info *args_info, const char *prog_name, const char *additional_error)
696		{
697		int error = 0;
698	+	FIX_UNUSED (additional_error);
699
700		/* checks for required options */
701		if (! args_info->input_given)
#	Line 577 | Line 706 | cmdline_parser_required2 (struct gengetopt_args_info *
706
707		if (args_info->staticProps_group_counter == 0)
708		{
709	<	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 : ""));
709	>	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 : ""));
710		error = 1;
711		}
712
#	Line 611 | Line 740 | int update_arg(void *field, char **orig_field,
740		static
741		int update_arg(void *field, char **orig_field,
742		unsigned int *field_given, unsigned int *prev_given,
743	<	char *value, char *possible_values[], const char *default_value,
743	>	char *value, const char *possible_values[],
744	>	const char *default_value,
745		cmdline_parser_arg_type arg_type,
746		int check_ambiguity, int override,
747		int no_free, int multiple_option,
#	Line 622 | Line 752 | int update_arg(void *field, char **orig_field,
752		const char *val = value;
753		int found;
754		char **string_field;
755	+	FIX_UNUSED (field);
756
757		stop_char = 0;
758		found = 0;
#	Line 639 | Line 770 | int update_arg(void *field, char **orig_field,
770		return 1; /* failure */
771		}
772
773	+	FIX_UNUSED (default_value);
774
775		if (field_given && *field_given && ! override)
776		return 0;
#	Line 702 | Line 834 | int
834
835
836		int
837	<	cmdline_parser_internal (int argc, char * const *argv, struct gengetopt_args_info *args_info,
837	>	cmdline_parser_internal (
838	>	int argc, char **argv, struct gengetopt_args_info *args_info,
839		struct cmdline_parser_params *params, const char *additional_error)
840		{
841		int c;        /* Character of the parsed option.  */
#	Line 745 | Line 878 | cmdline_parser_internal (int argc, char * const *argv,
878		{ "nbins",      1, NULL, 'b' },
879		{ "nbins_x",    1, NULL, 'x' },
880		{ "nbins_y",    1, NULL, 'y' },
881	+	{ "nbins_z",    1, NULL, 0 },
882		{ "nanglebins", 1, NULL, 'a' },
749	–	{ "length",     1, NULL, 0 },
883		{ "rcut",       1, NULL, 'c' },
884	+	{ "dz", 1, NULL, 0 },
885	+	{ "length",     1, NULL, 0 },
886	+	{ "zlength",    1, NULL, 0 },
887		{ "zoffset",    1, NULL, 'z' },
888		{ "sele1",      1, NULL, 0 },
889		{ "sele2",      1, NULL, 0 },
890		{ "sele3",      1, NULL, 0 },
891		{ "refsele",    1, NULL, 0 },
892		{ "comsele",    1, NULL, 0 },
893	+	{ "seleoffset", 1, NULL, 0 },
894	+	{ "seleoffset2",        1, NULL, 0 },
895		{ "molname",    1, NULL, 0 },
896		{ "begin",      1, NULL, 0 },
897		{ "end",        1, NULL, 0 },
898		{ "radius",     1, NULL, 0 },
899		{ "bo", 0, NULL, 0 },
900	<	{ "bor",        0, NULL, 0 },
900	>	{ "ior",        0, NULL, 0 },
901	>	{ "for",        0, NULL, 0 },
902		{ "bad",        0, NULL, 0 },
903	+	{ "count",      0, NULL, 0 },
904		{ "gofr",       0, NULL, 'g' },
905		{ "gofz",       0, NULL, 0 },
906		{ "r_theta",    0, NULL, 0 },
907		{ "r_omega",    0, NULL, 0 },
908	+	{ "r_z",        0, NULL, 0 },
909		{ "theta_omega",        0, NULL, 0 },
910		{ "gxyz",       0, NULL, 0 },
911	+	{ "twodgofr",   0, NULL, 0 },
912		{ "p2", 0, NULL, 'p' },
913		{ "rp2",        0, NULL, 0 },
914		{ "scd",        0, NULL, 's' },
915		{ "density",    0, NULL, 'd' },
916		{ "slab_density",       0, NULL, 0 },
917	+	{ "p_angle",    0, NULL, 0 },
918		{ "hxy",        0, NULL, 0 },
919		{ "rho_r",      0, NULL, 0 },
920	+	{ "angle_r",    0, NULL, 0 },
921		{ "hullvol",    0, NULL, 0 },
922	<	{ NULL, 0, NULL, 0 }
922	>	{ "rodlength",  0, NULL, 0 },
923	>	{ "tet_param",  0, NULL, 'Q' },
924	>	{ "tet_param_z",        0, NULL, 0 },
925	>	{ "rnemdz",     0, NULL, 0 },
926	>	{ "rnemdr",     0, NULL, 0 },
927	>	{ "rnemdrt",    0, NULL, 0 },
928	>	{ 0,  0, 0, 0 }
929		};
930
931	<	c = getopt_long (argc, argv, "hVi:o:n:b:x:y:a:c:z:gpsd", long_options, &option_index);
931	>	c = getopt_long (argc, argv, "hVi:o:n:b:x:y:a:c:z:gpsdQ", long_options, &option_index);
932
933		if (c == -1) break;       /* Exit from `while (1)' loop.  */
934
#	Line 917 | Line 1067 | cmdline_parser_internal (int argc, char * const *argv,
1067		goto failure;
1068
1069		break;
1070	<	case 'p':       /* p2 order parameter (--sele1 and --sele2 must be specified).  */
1070	>	case 'p':       /* p2 order parameter (--sele1 must be specified, --sele2 is optional).  */
1071
1072		if (args_info->staticProps_group_counter && override)
1073		reset_group_staticProps (args_info);
#	Line 962 | Line 1112 | cmdline_parser_internal (int argc, char * const *argv,
1112		goto failure;
1113
1114		break;
1115	+	case 'Q':       /* tetrahedrality order parameter (Qk).  */
1116	+
1117	+	if (args_info->staticProps_group_counter && override)
1118	+	reset_group_staticProps (args_info);
1119	+	args_info->staticProps_group_counter += 1;
1120	+
1121	+	if (update_arg( 0 ,
1122	+	0 , &(args_info->tet_param_given),
1123	+	&(local_args_info.tet_param_given), optarg, 0, 0, ARG_NO,
1124	+	check_ambiguity, override, 0, 0,
1125	+	"tet_param", 'Q',
1126	+	additional_error))
1127	+	goto failure;
1128	+
1129	+	break;
1130
1131		case 0: /* Long option with no short option */
1132	+	/* number of bins in z axis.  */
1133	+	if (strcmp (long_options[option_index].name, "nbins_z") == 0)
1134	+	{
1135	+
1136	+
1137	+	if (update_arg( (void *)&(args_info->nbins_z_arg),
1138	+	&(args_info->nbins_z_orig), &(args_info->nbins_z_given),
1139	+	&(local_args_info.nbins_z_given), optarg, 0, "100", ARG_INT,
1140	+	check_ambiguity, override, 0, 0,
1141	+	"nbins_z", '-',
1142	+	additional_error))
1143	+	goto failure;
1144	+
1145	+	}
1146	+	/* slab width (dz).  */
1147	+	else if (strcmp (long_options[option_index].name, "dz") == 0)
1148	+	{
1149	+
1150	+
1151	+	if (update_arg( (void *)&(args_info->dz_arg),
1152	+	&(args_info->dz_orig), &(args_info->dz_given),
1153	+	&(local_args_info.dz_given), optarg, 0, 0, ARG_DOUBLE,
1154	+	check_ambiguity, override, 0, 0,
1155	+	"dz", '-',
1156	+	additional_error))
1157	+	goto failure;
1158	+
1159	+	}
1160		/* maximum length (Defaults to 1/2 smallest length of first frame).  */
1161	<	if (strcmp (long_options[option_index].name, "length") == 0)
1161	>	else if (strcmp (long_options[option_index].name, "length") == 0)
1162		{
1163
1164
#	Line 978 | Line 1171 | cmdline_parser_internal (int argc, char * const *argv,
1171		goto failure;
1172
1173		}
1174	+	/* maximum length (Defaults to 1/2 smallest length of first frame).  */
1175	+	else if (strcmp (long_options[option_index].name, "zlength") == 0)
1176	+	{
1177	+
1178	+
1179	+	if (update_arg( (void *)&(args_info->zlength_arg),
1180	+	&(args_info->zlength_orig), &(args_info->zlength_given),
1181	+	&(local_args_info.zlength_given), optarg, 0, 0, ARG_DOUBLE,
1182	+	check_ambiguity, override, 0, 0,
1183	+	"zlength", '-',
1184	+	additional_error))
1185	+	goto failure;
1186	+
1187	+	}
1188		/* select the first stuntdouble set.  */
1189		else if (strcmp (long_options[option_index].name, "sele1") == 0)
1190		{
#	Line 1048 | Line 1255 | cmdline_parser_internal (int argc, char * const *argv,
1255		goto failure;
1256
1257		}
1258	+	/* global index offset for a second object (used to define a vector between sites in molecule).  */
1259	+	else if (strcmp (long_options[option_index].name, "seleoffset") == 0)
1260	+	{
1261	+
1262	+
1263	+	if (update_arg( (void *)&(args_info->seleoffset_arg),
1264	+	&(args_info->seleoffset_orig), &(args_info->seleoffset_given),
1265	+	&(local_args_info.seleoffset_given), optarg, 0, 0, ARG_INT,
1266	+	check_ambiguity, override, 0, 0,
1267	+	"seleoffset", '-',
1268	+	additional_error))
1269	+	goto failure;
1270	+
1271	+	}
1272	+	/* global index offset for a third object (used to define a vector between sites in molecule).  */
1273	+	else if (strcmp (long_options[option_index].name, "seleoffset2") == 0)
1274	+	{
1275	+
1276	+
1277	+	if (update_arg( (void *)&(args_info->seleoffset2_arg),
1278	+	&(args_info->seleoffset2_orig), &(args_info->seleoffset2_given),
1279	+	&(local_args_info.seleoffset2_given), optarg, 0, 0, ARG_INT,
1280	+	check_ambiguity, override, 0, 0,
1281	+	"seleoffset2", '-',
1282	+	additional_error))
1283	+	goto failure;
1284	+
1285	+	}
1286		/* molecule name.  */
1287		else if (strcmp (long_options[option_index].name, "molname") == 0)
1288		{
#	Line 1121 | Line 1356 | cmdline_parser_internal (int argc, char * const *argv,
1356		goto failure;
1357
1358		}
1359	<	/* bond order parameter as a function of radius (--rcut must be specified).  */
1360	<	else if (strcmp (long_options[option_index].name, "bor") == 0)
1359	>	/* icosahedral bond order parameter as a function of radius (--rcut must be specified).  */
1360	>	else if (strcmp (long_options[option_index].name, "ior") == 0)
1361	>	{
1362	>
1363	>	if (args_info->staticProps_group_counter && override)
1364	>	reset_group_staticProps (args_info);
1365	>	args_info->staticProps_group_counter += 1;
1366	>
1367	>	if (update_arg( 0 ,
1368	>	0 , &(args_info->ior_given),
1369	>	&(local_args_info.ior_given), optarg, 0, 0, ARG_NO,
1370	>	check_ambiguity, override, 0, 0,
1371	>	"ior", '-',
1372	>	additional_error))
1373	>	goto failure;
1374	>
1375	>	}
1376	>	/* FCC bond order parameter as a function of radius (--rcut must be specified).  */
1377	>	else if (strcmp (long_options[option_index].name, "for") == 0)
1378		{
1379
1380		if (args_info->staticProps_group_counter && override)
#	Line 1130 | Line 1382 | cmdline_parser_internal (int argc, char * const *argv,
1382		args_info->staticProps_group_counter += 1;
1383
1384		if (update_arg( 0 ,
1385	<	0 , &(args_info->bor_given),
1386	<	&(local_args_info.bor_given), optarg, 0, 0, ARG_NO,
1385	>	0 , &(args_info->for_given),
1386	>	&(local_args_info.for_given), optarg, 0, 0, ARG_NO,
1387		check_ambiguity, override, 0, 0,
1388	<	"bor", '-',
1388	>	"for", '-',
1389		additional_error))
1390		goto failure;
1391
#	Line 1155 | Line 1407 | cmdline_parser_internal (int argc, char * const *argv,
1407		goto failure;
1408
1409		}
1410	+	/* count of molecules matching selection criteria (and associated statistics).  */
1411	+	else if (strcmp (long_options[option_index].name, "count") == 0)
1412	+	{
1413	+
1414	+	if (args_info->staticProps_group_counter && override)
1415	+	reset_group_staticProps (args_info);
1416	+	args_info->staticProps_group_counter += 1;
1417	+
1418	+	if (update_arg( 0 ,
1419	+	0 , &(args_info->count_given),
1420	+	&(local_args_info.count_given), optarg, 0, 0, ARG_NO,
1421	+	check_ambiguity, override, 0, 0,
1422	+	"count", '-',
1423	+	additional_error))
1424	+	goto failure;
1425	+
1426	+	}
1427		/* g(z).  */
1428		else if (strcmp (long_options[option_index].name, "gofz") == 0)
1429		{
#	Line 1206 | Line 1475 | cmdline_parser_internal (int argc, char * const *argv,
1475		goto failure;
1476
1477		}
1478	+	/* g(r, z).  */
1479	+	else if (strcmp (long_options[option_index].name, "r_z") == 0)
1480	+	{
1481	+
1482	+	if (args_info->staticProps_group_counter && override)
1483	+	reset_group_staticProps (args_info);
1484	+	args_info->staticProps_group_counter += 1;
1485	+
1486	+	if (update_arg( 0 ,
1487	+	0 , &(args_info->r_z_given),
1488	+	&(local_args_info.r_z_given), optarg, 0, 0, ARG_NO,
1489	+	check_ambiguity, override, 0, 0,
1490	+	"r_z", '-',
1491	+	additional_error))
1492	+	goto failure;
1493	+
1494	+	}
1495		/* g(cos(theta), cos(omega)).  */
1496		else if (strcmp (long_options[option_index].name, "theta_omega") == 0)
1497		{
#	Line 1240 | Line 1526 | cmdline_parser_internal (int argc, char * const *argv,
1526		goto failure;
1527
1528		}
1529	+	/* 2D g(r) (Slab width --dz must be specified).  */
1530	+	else if (strcmp (long_options[option_index].name, "twodgofr") == 0)
1531	+	{
1532	+
1533	+	if (args_info->staticProps_group_counter && override)
1534	+	reset_group_staticProps (args_info);
1535	+	args_info->staticProps_group_counter += 1;
1536	+
1537	+	if (update_arg( 0 ,
1538	+	0 , &(args_info->twodgofr_given),
1539	+	&(local_args_info.twodgofr_given), optarg, 0, 0, ARG_NO,
1540	+	check_ambiguity, override, 0, 0,
1541	+	"twodgofr", '-',
1542	+	additional_error))
1543	+	goto failure;
1544	+
1545	+	}
1546		/* rp2 order parameter (--sele1 and --sele2 must be specified).  */
1547		else if (strcmp (long_options[option_index].name, "rp2") == 0)
1548		{
#	Line 1274 | Line 1577 | cmdline_parser_internal (int argc, char * const *argv,
1577		goto failure;
1578
1579		}
1580	+	/* p(cos(theta)) (--sele1 must be specified, --sele2 is optional).  */
1581	+	else if (strcmp (long_options[option_index].name, "p_angle") == 0)
1582	+	{
1583	+
1584	+	if (args_info->staticProps_group_counter && override)
1585	+	reset_group_staticProps (args_info);
1586	+	args_info->staticProps_group_counter += 1;
1587	+
1588	+	if (update_arg( 0 ,
1589	+	0 , &(args_info->p_angle_given),
1590	+	&(local_args_info.p_angle_given), optarg, 0, 0, ARG_NO,
1591	+	check_ambiguity, override, 0, 0,
1592	+	"p_angle", '-',
1593	+	additional_error))
1594	+	goto failure;
1595	+
1596	+	}
1597		/* hxy.  */
1598		else if (strcmp (long_options[option_index].name, "hxy") == 0)
1599		{
#	Line 1308 | Line 1628 | cmdline_parser_internal (int argc, char * const *argv,
1628		goto failure;
1629
1630		}
1631	+	/* angle of R.  */
1632	+	else if (strcmp (long_options[option_index].name, "angle_r") == 0)
1633	+	{
1634	+
1635	+	if (args_info->staticProps_group_counter && override)
1636	+	reset_group_staticProps (args_info);
1637	+	args_info->staticProps_group_counter += 1;
1638	+
1639	+	if (update_arg( 0 ,
1640	+	0 , &(args_info->angle_r_given),
1641	+	&(local_args_info.angle_r_given), optarg, 0, 0, ARG_NO,
1642	+	check_ambiguity, override, 0, 0,
1643	+	"angle_r", '-',
1644	+	additional_error))
1645	+	goto failure;
1646	+
1647	+	}
1648		/* hull volume of nanoparticle.  */
1649		else if (strcmp (long_options[option_index].name, "hullvol") == 0)
1650		{
#	Line 1325 | Line 1662 | cmdline_parser_internal (int argc, char * const *argv,
1662		goto failure;
1663
1664		}
1665	+	/* length of nanorod.  */
1666	+	else if (strcmp (long_options[option_index].name, "rodlength") == 0)
1667	+	{
1668
1669	+	if (args_info->staticProps_group_counter && override)
1670	+	reset_group_staticProps (args_info);
1671	+	args_info->staticProps_group_counter += 1;
1672	+
1673	+	if (update_arg( 0 ,
1674	+	0 , &(args_info->rodlength_given),
1675	+	&(local_args_info.rodlength_given), optarg, 0, 0, ARG_NO,
1676	+	check_ambiguity, override, 0, 0,
1677	+	"rodlength", '-',
1678	+	additional_error))
1679	+	goto failure;
1680	+
1681	+	}
1682	+	/* spatially-resolved tetrahedrality order parameter Qk(z).  */
1683	+	else if (strcmp (long_options[option_index].name, "tet_param_z") == 0)
1684	+	{
1685	+
1686	+	if (args_info->staticProps_group_counter && override)
1687	+	reset_group_staticProps (args_info);
1688	+	args_info->staticProps_group_counter += 1;
1689	+
1690	+	if (update_arg( 0 ,
1691	+	0 , &(args_info->tet_param_z_given),
1692	+	&(local_args_info.tet_param_z_given), optarg, 0, 0, ARG_NO,
1693	+	check_ambiguity, override, 0, 0,
1694	+	"tet_param_z", '-',
1695	+	additional_error))
1696	+	goto failure;
1697	+
1698	+	}
1699	+	/* slab-resolved RNEMD statistics (temperature, density, velocity).  */
1700	+	else if (strcmp (long_options[option_index].name, "rnemdz") == 0)
1701	+	{
1702	+
1703	+	if (args_info->staticProps_group_counter && override)
1704	+	reset_group_staticProps (args_info);
1705	+	args_info->staticProps_group_counter += 1;
1706	+
1707	+	if (update_arg( 0 ,
1708	+	0 , &(args_info->rnemdz_given),
1709	+	&(local_args_info.rnemdz_given), optarg, 0, 0, ARG_NO,
1710	+	check_ambiguity, override, 0, 0,
1711	+	"rnemdz", '-',
1712	+	additional_error))
1713	+	goto failure;
1714	+
1715	+	}
1716	+	/* shell-resolved RNEMD statistics (temperature, density, angular velocity).  */
1717	+	else if (strcmp (long_options[option_index].name, "rnemdr") == 0)
1718	+	{
1719	+
1720	+	if (args_info->staticProps_group_counter && override)
1721	+	reset_group_staticProps (args_info);
1722	+	args_info->staticProps_group_counter += 1;
1723	+
1724	+	if (update_arg( 0 ,
1725	+	0 , &(args_info->rnemdr_given),
1726	+	&(local_args_info.rnemdr_given), optarg, 0, 0, ARG_NO,
1727	+	check_ambiguity, override, 0, 0,
1728	+	"rnemdr", '-',
1729	+	additional_error))
1730	+	goto failure;
1731	+
1732	+	}
1733	+	/* shell and angle-resolved RNEMD statistics (temperature, density, angular velocity).  */
1734	+	else if (strcmp (long_options[option_index].name, "rnemdrt") == 0)
1735	+	{
1736	+
1737	+	if (args_info->staticProps_group_counter && override)
1738	+	reset_group_staticProps (args_info);
1739	+	args_info->staticProps_group_counter += 1;
1740	+
1741	+	if (update_arg( 0 ,
1742	+	0 , &(args_info->rnemdrt_given),
1743	+	&(local_args_info.rnemdrt_given), optarg, 0, 0, ARG_NO,
1744	+	check_ambiguity, override, 0, 0,
1745	+	"rnemdrt", '-',
1746	+	additional_error))
1747	+	goto failure;
1748	+
1749	+	}
1750	+
1751		break;
1752		case '?':       /* Invalid option.  */
1753		/* `getopt_long' already printed an error message.  */
#	Line 1339 | Line 1761 | cmdline_parser_internal (int argc, char * const *argv,
1761
1762		if (args_info->staticProps_group_counter > 1)
1763		{
1764	<	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 : ""));
1764	>	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 : ""));
1765		error = 1;
1766		}
1767
#	Line 1355 | Line 1777 | cmdline_parser_internal (int argc, char * const *argv,
1777		if ( error )
1778		return (EXIT_FAILURE);
1779
1780	+	if (optind < argc)
1781	+	{
1782	+	int i = 0 ;
1783	+	int found_prog_name = 0;
1784	+	/* whether program name, i.e., argv[0], is in the remaining args
1785	+	(this may happen with some implementations of getopt,
1786	+	but surely not with the one included by gengetopt) */
1787	+
1788	+	i = optind;
1789	+	while (i < argc)
1790	+	if (argv[i++] == argv[0]) {
1791	+	found_prog_name = 1;
1792	+	break;
1793	+	}
1794	+	i = 0;
1795	+
1796	+	args_info->inputs_num = argc - optind - found_prog_name;
1797	+	args_info->inputs =
1798	+	(char **)(malloc ((args_info->inputs_num)*sizeof(char *))) ;
1799	+	while (optind < argc)
1800	+	if (argv[optind++] != argv[0])
1801	+	args_info->inputs[ i++ ] = gengetopt_strdup (argv[optind-1]) ;
1802	+	}
1803	+
1804		return 0;
1805
1806		failure:

Comparing:
trunk/src/applications/staticProps/StaticPropsCmd.c (property svn:keywords), Revision 1390 by gezelter, Wed Nov 25 20:02:06 2009 UTC vs.
trunk/src/applications/staticProps/StaticPropsCmd.cpp (property svn:keywords), Revision 1992 by gezelter, Thu Apr 24 17:30:00 2014 UTC

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

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