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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 1782 by gezelter, Wed Aug 22 02:28:28 2012 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 -i StaticProps.ggo -c cpp -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 = "";
29
30	<	const char *gengetopt_args_info_usage = "Usage: StaticProps [OPTIONS]...";
30	>	const char *gengetopt_args_info_usage = "Usage: StaticProps [OPTIONS]... [FILES]...";
31
32		const char *gengetopt_args_info_description = "";
33
#	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",
#	Line 53 | 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	+	"      --tet_param_z             tetrahedrality order parameter by zbin(--sele1 \n                                  must be specified)",
85		0
86		};
87
#	Line 82 | Line 97 | static int
97		void clear_args (struct gengetopt_args_info *args_info);
98
99		static int
100	<	cmdline_parser_internal (int argc, char * const *argv, struct gengetopt_args_info *args_info,
100	>	cmdline_parser_internal (int argc, char **argv, struct gengetopt_args_info *args_info,
101		struct cmdline_parser_params *params, const char *additional_error);
102
103		static int
#	Line 102 | Line 117 | void clear_given (struct gengetopt_args_info *args_inf
117		args_info->nbins_given = 0 ;
118		args_info->nbins_x_given = 0 ;
119		args_info->nbins_y_given = 0 ;
120	+	args_info->nbins_z_given = 0 ;
121		args_info->nanglebins_given = 0 ;
106	–	args_info->length_given = 0 ;
122		args_info->rcut_given = 0 ;
123	+	args_info->dz_given = 0 ;
124	+	args_info->length_given = 0 ;
125	+	args_info->zlength_given = 0 ;
126		args_info->zoffset_given = 0 ;
127		args_info->sele1_given = 0 ;
128		args_info->sele2_given = 0 ;
#	Line 118 | Line 136 | void clear_given (struct gengetopt_args_info *args_inf
136		args_info->bo_given = 0 ;
137		args_info->bor_given = 0 ;
138		args_info->bad_given = 0 ;
139	+	args_info->count_given = 0 ;
140		args_info->gofr_given = 0 ;
141		args_info->gofz_given = 0 ;
142		args_info->r_theta_given = 0 ;
143		args_info->r_omega_given = 0 ;
144	+	args_info->r_z_given = 0 ;
145		args_info->theta_omega_given = 0 ;
146		args_info->gxyz_given = 0 ;
147	+	args_info->twodgofr_given = 0 ;
148		args_info->p2_given = 0 ;
149		args_info->rp2_given = 0 ;
150		args_info->scd_given = 0 ;
151		args_info->density_given = 0 ;
152		args_info->slab_density_given = 0 ;
153	+	args_info->p_angle_given = 0 ;
154		args_info->hxy_given = 0 ;
155		args_info->rho_r_given = 0 ;
156	+	args_info->angle_r_given = 0 ;
157		args_info->hullvol_given = 0 ;
158	+	args_info->rodlength_given = 0 ;
159	+	args_info->tet_param_given = 0 ;
160	+	args_info->tet_param_z_given = 0 ;
161		args_info->staticProps_group_counter = 0 ;
162		}
163
164		static
165		void clear_args (struct gengetopt_args_info *args_info)
166		{
167	+	FIX_UNUSED (args_info);
168		args_info->input_arg = NULL;
169		args_info->input_orig = NULL;
170		args_info->output_arg = NULL;
#	Line 150 | Line 177 | void clear_args (struct gengetopt_args_info *args_info
177		args_info->nbins_x_orig = NULL;
178		args_info->nbins_y_arg = 100;
179		args_info->nbins_y_orig = NULL;
180	+	args_info->nbins_z_arg = 100;
181	+	args_info->nbins_z_orig = NULL;
182		args_info->nanglebins_arg = 50;
183		args_info->nanglebins_orig = NULL;
155	–	args_info->length_orig = NULL;
184		args_info->rcut_orig = NULL;
185	+	args_info->dz_orig = NULL;
186	+	args_info->length_orig = NULL;
187	+	args_info->zlength_orig = NULL;
188		args_info->zoffset_arg = 0;
189		args_info->zoffset_orig = NULL;
190		args_info->sele1_arg = NULL;
#	Line 187 | Line 218 | void init_args_info(struct gengetopt_args_info *args_i
218		args_info->nbins_help = gengetopt_args_info_help[5] ;
219		args_info->nbins_x_help = gengetopt_args_info_help[6] ;
220		args_info->nbins_y_help = gengetopt_args_info_help[7] ;
221	<	args_info->nanglebins_help = gengetopt_args_info_help[8] ;
222	<	args_info->length_help = gengetopt_args_info_help[9] ;
221	>	args_info->nbins_z_help = gengetopt_args_info_help[8] ;
222	>	args_info->nanglebins_help = gengetopt_args_info_help[9] ;
223		args_info->rcut_help = gengetopt_args_info_help[10] ;
224	<	args_info->zoffset_help = gengetopt_args_info_help[11] ;
225	<	args_info->sele1_help = gengetopt_args_info_help[12] ;
226	<	args_info->sele2_help = gengetopt_args_info_help[13] ;
227	<	args_info->sele3_help = gengetopt_args_info_help[14] ;
228	<	args_info->refsele_help = gengetopt_args_info_help[15] ;
229	<	args_info->comsele_help = gengetopt_args_info_help[16] ;
230	<	args_info->molname_help = gengetopt_args_info_help[17] ;
231	<	args_info->begin_help = gengetopt_args_info_help[18] ;
232	<	args_info->end_help = gengetopt_args_info_help[19] ;
233	<	args_info->radius_help = gengetopt_args_info_help[20] ;
234	<	args_info->bo_help = gengetopt_args_info_help[22] ;
235	<	args_info->bor_help = gengetopt_args_info_help[23] ;
236	<	args_info->bad_help = gengetopt_args_info_help[24] ;
237	<	args_info->gofr_help = gengetopt_args_info_help[25] ;
238	<	args_info->gofz_help = gengetopt_args_info_help[26] ;
239	<	args_info->r_theta_help = gengetopt_args_info_help[27] ;
240	<	args_info->r_omega_help = gengetopt_args_info_help[28] ;
241	<	args_info->theta_omega_help = gengetopt_args_info_help[29] ;
242	<	args_info->gxyz_help = gengetopt_args_info_help[30] ;
243	<	args_info->p2_help = gengetopt_args_info_help[31] ;
244	<	args_info->rp2_help = gengetopt_args_info_help[32] ;
245	<	args_info->scd_help = gengetopt_args_info_help[33] ;
246	<	args_info->density_help = gengetopt_args_info_help[34] ;
247	<	args_info->slab_density_help = gengetopt_args_info_help[35] ;
248	<	args_info->hxy_help = gengetopt_args_info_help[36] ;
249	<	args_info->rho_r_help = gengetopt_args_info_help[37] ;
250	<	args_info->hullvol_help = gengetopt_args_info_help[38] ;
224	>	args_info->dz_help = gengetopt_args_info_help[11] ;
225	>	args_info->length_help = gengetopt_args_info_help[12] ;
226	>	args_info->zlength_help = gengetopt_args_info_help[13] ;
227	>	args_info->zoffset_help = gengetopt_args_info_help[14] ;
228	>	args_info->sele1_help = gengetopt_args_info_help[15] ;
229	>	args_info->sele2_help = gengetopt_args_info_help[16] ;
230	>	args_info->sele3_help = gengetopt_args_info_help[17] ;
231	>	args_info->refsele_help = gengetopt_args_info_help[18] ;
232	>	args_info->comsele_help = gengetopt_args_info_help[19] ;
233	>	args_info->molname_help = gengetopt_args_info_help[20] ;
234	>	args_info->begin_help = gengetopt_args_info_help[21] ;
235	>	args_info->end_help = gengetopt_args_info_help[22] ;
236	>	args_info->radius_help = gengetopt_args_info_help[23] ;
237	>	args_info->bo_help = gengetopt_args_info_help[25] ;
238	>	args_info->bor_help = gengetopt_args_info_help[26] ;
239	>	args_info->bad_help = gengetopt_args_info_help[27] ;
240	>	args_info->count_help = gengetopt_args_info_help[28] ;
241	>	args_info->gofr_help = gengetopt_args_info_help[29] ;
242	>	args_info->gofz_help = gengetopt_args_info_help[30] ;
243	>	args_info->r_theta_help = gengetopt_args_info_help[31] ;
244	>	args_info->r_omega_help = gengetopt_args_info_help[32] ;
245	>	args_info->r_z_help = gengetopt_args_info_help[33] ;
246	>	args_info->theta_omega_help = gengetopt_args_info_help[34] ;
247	>	args_info->gxyz_help = gengetopt_args_info_help[35] ;
248	>	args_info->twodgofr_help = gengetopt_args_info_help[36] ;
249	>	args_info->p2_help = gengetopt_args_info_help[37] ;
250	>	args_info->rp2_help = gengetopt_args_info_help[38] ;
251	>	args_info->scd_help = gengetopt_args_info_help[39] ;
252	>	args_info->density_help = gengetopt_args_info_help[40] ;
253	>	args_info->slab_density_help = gengetopt_args_info_help[41] ;
254	>	args_info->p_angle_help = gengetopt_args_info_help[42] ;
255	>	args_info->hxy_help = gengetopt_args_info_help[43] ;
256	>	args_info->rho_r_help = gengetopt_args_info_help[44] ;
257	>	args_info->angle_r_help = gengetopt_args_info_help[45] ;
258	>	args_info->hullvol_help = gengetopt_args_info_help[46] ;
259	>	args_info->rodlength_help = gengetopt_args_info_help[47] ;
260	>	args_info->tet_param_help = gengetopt_args_info_help[48] ;
261	>	args_info->tet_param_z_help = gengetopt_args_info_help[49] ;
262
263		}
264
265		void
266		cmdline_parser_print_version (void)
267		{
268	<	printf ("%s %s\n", CMDLINE_PARSER_PACKAGE, CMDLINE_PARSER_VERSION);
268	>	printf ("%s %s\n",
269	>	(strlen(CMDLINE_PARSER_PACKAGE_NAME) ? CMDLINE_PARSER_PACKAGE_NAME : CMDLINE_PARSER_PACKAGE),
270	>	CMDLINE_PARSER_VERSION);
271		}
272
273		static void print_help_common(void) {
#	Line 238 | Line 282 | static void print_help_common(void) {
282		printf("\n");
283
284		if (strlen(gengetopt_args_info_description) > 0)
285	<	printf("%s\n", gengetopt_args_info_description);
285	>	printf("%s\n\n", gengetopt_args_info_description);
286		}
287
288		void
#	Line 256 | Line 300 | cmdline_parser_init (struct gengetopt_args_info *args_
300		clear_given (args_info);
301		clear_args (args_info);
302		init_args_info (args_info);
303	+
304	+	args_info->inputs = 0;
305	+	args_info->inputs_num = 0;
306		}
307
308		void
#	Line 294 | Line 341 | cmdline_parser_release (struct gengetopt_args_info *ar
341		static void
342		cmdline_parser_release (struct gengetopt_args_info *args_info)
343		{
344	<
344	>	unsigned int i;
345		free_string_field (&(args_info->input_arg));
346		free_string_field (&(args_info->input_orig));
347		free_string_field (&(args_info->output_arg));
#	Line 303 | Line 350 | cmdline_parser_release (struct gengetopt_args_info *ar
350		free_string_field (&(args_info->nbins_orig));
351		free_string_field (&(args_info->nbins_x_orig));
352		free_string_field (&(args_info->nbins_y_orig));
353	+	free_string_field (&(args_info->nbins_z_orig));
354		free_string_field (&(args_info->nanglebins_orig));
307	–	free_string_field (&(args_info->length_orig));
355		free_string_field (&(args_info->rcut_orig));
356	+	free_string_field (&(args_info->dz_orig));
357	+	free_string_field (&(args_info->length_orig));
358	+	free_string_field (&(args_info->zlength_orig));
359		free_string_field (&(args_info->zoffset_orig));
360		free_string_field (&(args_info->sele1_arg));
361		free_string_field (&(args_info->sele1_orig));
#	Line 324 | Line 374 | cmdline_parser_release (struct gengetopt_args_info *ar
374		free_string_field (&(args_info->radius_orig));
375
376
377	+	for (i = 0; i < args_info->inputs_num; ++i)
378	+	free (args_info->inputs [i]);
379
380	+	if (args_info->inputs_num)
381	+	free (args_info->inputs);
382	+
383		clear_given (args_info);
384		}
385
386
387		static void
388	<	write_into_file(FILE *outfile, const char *opt, const char *arg, char *values[])
388	>	write_into_file(FILE *outfile, const char *opt, const char *arg, const char *values[])
389		{
390	+	FIX_UNUSED (values);
391		if (arg) {
392		fprintf(outfile, "%s=\"%s\"\n", opt, arg);
393		} else {
#	Line 367 | Line 423 | cmdline_parser_dump(FILE *outfile, struct gengetopt_ar
423		write_into_file(outfile, "nbins_x", args_info->nbins_x_orig, 0);
424		if (args_info->nbins_y_given)
425		write_into_file(outfile, "nbins_y", args_info->nbins_y_orig, 0);
426	+	if (args_info->nbins_z_given)
427	+	write_into_file(outfile, "nbins_z", args_info->nbins_z_orig, 0);
428		if (args_info->nanglebins_given)
429		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);
430		if (args_info->rcut_given)
431		write_into_file(outfile, "rcut", args_info->rcut_orig, 0);
432	+	if (args_info->dz_given)
433	+	write_into_file(outfile, "dz", args_info->dz_orig, 0);
434	+	if (args_info->length_given)
435	+	write_into_file(outfile, "length", args_info->length_orig, 0);
436	+	if (args_info->zlength_given)
437	+	write_into_file(outfile, "zlength", args_info->zlength_orig, 0);
438		if (args_info->zoffset_given)
439		write_into_file(outfile, "zoffset", args_info->zoffset_orig, 0);
440		if (args_info->sele1_given)
#	Line 399 | Line 461 | cmdline_parser_dump(FILE *outfile, struct gengetopt_ar
461		write_into_file(outfile, "bor", 0, 0 );
462		if (args_info->bad_given)
463		write_into_file(outfile, "bad", 0, 0 );
464	+	if (args_info->count_given)
465	+	write_into_file(outfile, "count", 0, 0 );
466		if (args_info->gofr_given)
467		write_into_file(outfile, "gofr", 0, 0 );
468		if (args_info->gofz_given)
#	Line 407 | Line 471 | cmdline_parser_dump(FILE *outfile, struct gengetopt_ar
471		write_into_file(outfile, "r_theta", 0, 0 );
472		if (args_info->r_omega_given)
473		write_into_file(outfile, "r_omega", 0, 0 );
474	+	if (args_info->r_z_given)
475	+	write_into_file(outfile, "r_z", 0, 0 );
476		if (args_info->theta_omega_given)
477		write_into_file(outfile, "theta_omega", 0, 0 );
478		if (args_info->gxyz_given)
479		write_into_file(outfile, "gxyz", 0, 0 );
480	+	if (args_info->twodgofr_given)
481	+	write_into_file(outfile, "twodgofr", 0, 0 );
482		if (args_info->p2_given)
483		write_into_file(outfile, "p2", 0, 0 );
484		if (args_info->rp2_given)
#	Line 421 | Line 489 | cmdline_parser_dump(FILE *outfile, struct gengetopt_ar
489		write_into_file(outfile, "density", 0, 0 );
490		if (args_info->slab_density_given)
491		write_into_file(outfile, "slab_density", 0, 0 );
492	+	if (args_info->p_angle_given)
493	+	write_into_file(outfile, "p_angle", 0, 0 );
494		if (args_info->hxy_given)
495		write_into_file(outfile, "hxy", 0, 0 );
496		if (args_info->rho_r_given)
497		write_into_file(outfile, "rho_r", 0, 0 );
498	+	if (args_info->angle_r_given)
499	+	write_into_file(outfile, "angle_r", 0, 0 );
500		if (args_info->hullvol_given)
501		write_into_file(outfile, "hullvol", 0, 0 );
502	+	if (args_info->rodlength_given)
503	+	write_into_file(outfile, "rodlength", 0, 0 );
504	+	if (args_info->tet_param_given)
505	+	write_into_file(outfile, "tet_param", 0, 0 );
506	+	if (args_info->tet_param_z_given)
507	+	write_into_file(outfile, "tet_param_z", 0, 0 );
508
509
510		i = EXIT_SUCCESS;
#	Line 463 | Line 541 | gengetopt_strdup (const char *s)
541		char *
542		gengetopt_strdup (const char *s)
543		{
544	<	char *result = NULL;
544	>	char *result = 0;
545		if (!s)
546		return result;
547
#	Line 483 | Line 561 | reset_group_staticProps(struct gengetopt_args_info *ar
561		args_info->bo_given = 0 ;
562		args_info->bor_given = 0 ;
563		args_info->bad_given = 0 ;
564	+	args_info->count_given = 0 ;
565		args_info->gofr_given = 0 ;
566		args_info->gofz_given = 0 ;
567		args_info->r_theta_given = 0 ;
568		args_info->r_omega_given = 0 ;
569	+	args_info->r_z_given = 0 ;
570		args_info->theta_omega_given = 0 ;
571		args_info->gxyz_given = 0 ;
572	+	args_info->twodgofr_given = 0 ;
573		args_info->p2_given = 0 ;
574		args_info->rp2_given = 0 ;
575		args_info->scd_given = 0 ;
576		args_info->density_given = 0 ;
577		args_info->slab_density_given = 0 ;
578	+	args_info->p_angle_given = 0 ;
579		args_info->hxy_given = 0 ;
580		args_info->rho_r_given = 0 ;
581	+	args_info->angle_r_given = 0 ;
582		args_info->hullvol_given = 0 ;
583	+	args_info->rodlength_given = 0 ;
584	+	args_info->tet_param_given = 0 ;
585	+	args_info->tet_param_z_given = 0 ;
586
587		args_info->staticProps_group_counter = 0;
588		}
589
590		int
591	<	cmdline_parser (int argc, char * const *argv, struct gengetopt_args_info *args_info)
591	>	cmdline_parser (int argc, char **argv, struct gengetopt_args_info *args_info)
592		{
593		return cmdline_parser2 (argc, argv, args_info, 0, 1, 1);
594		}
595
596		int
597	<	cmdline_parser_ext (int argc, char * const *argv, struct gengetopt_args_info *args_info,
597	>	cmdline_parser_ext (int argc, char **argv, struct gengetopt_args_info *args_info,
598		struct cmdline_parser_params *params)
599		{
600		int result;
601	<	result = cmdline_parser_internal (argc, argv, args_info, params, NULL);
601	>	result = cmdline_parser_internal (argc, argv, args_info, params, 0);
602
603		if (result == EXIT_FAILURE)
604		{
#	Line 524 | Line 610 | int
610		}
611
612		int
613	<	cmdline_parser2 (int argc, char * const *argv, struct gengetopt_args_info *args_info, int override, int initialize, int check_required)
613	>	cmdline_parser2 (int argc, char **argv, struct gengetopt_args_info *args_info, int override, int initialize, int check_required)
614		{
615		int result;
616		struct cmdline_parser_params params;
#	Line 535 | Line 621 | cmdline_parser2 (int argc, char * const *argv, struct
621		params.check_ambiguity = 0;
622		params.print_errors = 1;
623
624	<	result = cmdline_parser_internal (argc, argv, args_info, &params, NULL);
624	>	result = cmdline_parser_internal (argc, argv, args_info, &params, 0);
625
626		if (result == EXIT_FAILURE)
627		{
#	Line 551 | Line 637 | cmdline_parser_required (struct gengetopt_args_info *a
637		{
638		int result = EXIT_SUCCESS;
639
640	<	if (cmdline_parser_required2(args_info, prog_name, NULL) > 0)
640	>	if (cmdline_parser_required2(args_info, prog_name, 0) > 0)
641		result = EXIT_FAILURE;
642
643		if (result == EXIT_FAILURE)
#	Line 567 | Line 653 | cmdline_parser_required2 (struct gengetopt_args_info *
653		cmdline_parser_required2 (struct gengetopt_args_info *args_info, const char *prog_name, const char *additional_error)
654		{
655		int error = 0;
656	+	FIX_UNUSED (additional_error);
657
658		/* checks for required options */
659		if (! args_info->input_given)
#	Line 577 | Line 664 | cmdline_parser_required2 (struct gengetopt_args_info *
664
665		if (args_info->staticProps_group_counter == 0)
666		{
667	<	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 : ""));
667	>	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 : ""));
668		error = 1;
669		}
670
#	Line 611 | Line 698 | int update_arg(void *field, char **orig_field,
698		static
699		int update_arg(void *field, char **orig_field,
700		unsigned int *field_given, unsigned int *prev_given,
701	<	char *value, char *possible_values[], const char *default_value,
701	>	char *value, const char *possible_values[],
702	>	const char *default_value,
703		cmdline_parser_arg_type arg_type,
704		int check_ambiguity, int override,
705		int no_free, int multiple_option,
#	Line 622 | Line 710 | int update_arg(void *field, char **orig_field,
710		const char *val = value;
711		int found;
712		char **string_field;
713	+	FIX_UNUSED (field);
714
715		stop_char = 0;
716		found = 0;
#	Line 639 | Line 728 | int update_arg(void *field, char **orig_field,
728		return 1; /* failure */
729		}
730
731	+	FIX_UNUSED (default_value);
732
733		if (field_given && *field_given && ! override)
734		return 0;
#	Line 702 | Line 792 | int
792
793
794		int
795	<	cmdline_parser_internal (int argc, char * const *argv, struct gengetopt_args_info *args_info,
795	>	cmdline_parser_internal (
796	>	int argc, char **argv, struct gengetopt_args_info *args_info,
797		struct cmdline_parser_params *params, const char *additional_error)
798		{
799		int c;        /* Character of the parsed option.  */
#	Line 745 | Line 836 | cmdline_parser_internal (int argc, char * const *argv,
836		{ "nbins",      1, NULL, 'b' },
837		{ "nbins_x",    1, NULL, 'x' },
838		{ "nbins_y",    1, NULL, 'y' },
839	+	{ "nbins_z",    1, NULL, 0 },
840		{ "nanglebins", 1, NULL, 'a' },
749	–	{ "length",     1, NULL, 0 },
841		{ "rcut",       1, NULL, 'c' },
842	+	{ "dz", 1, NULL, 0 },
843	+	{ "length",     1, NULL, 0 },
844	+	{ "zlength",    1, NULL, 0 },
845		{ "zoffset",    1, NULL, 'z' },
846		{ "sele1",      1, NULL, 0 },
847		{ "sele2",      1, NULL, 0 },
#	Line 761 | Line 855 | cmdline_parser_internal (int argc, char * const *argv,
855		{ "bo", 0, NULL, 0 },
856		{ "bor",        0, NULL, 0 },
857		{ "bad",        0, NULL, 0 },
858	+	{ "count",      0, NULL, 0 },
859		{ "gofr",       0, NULL, 'g' },
860		{ "gofz",       0, NULL, 0 },
861		{ "r_theta",    0, NULL, 0 },
862		{ "r_omega",    0, NULL, 0 },
863	+	{ "r_z",        0, NULL, 0 },
864		{ "theta_omega",        0, NULL, 0 },
865		{ "gxyz",       0, NULL, 0 },
866	+	{ "twodgofr",   0, NULL, 0 },
867		{ "p2", 0, NULL, 'p' },
868		{ "rp2",        0, NULL, 0 },
869		{ "scd",        0, NULL, 's' },
870		{ "density",    0, NULL, 'd' },
871		{ "slab_density",       0, NULL, 0 },
872	+	{ "p_angle",    0, NULL, 0 },
873		{ "hxy",        0, NULL, 0 },
874		{ "rho_r",      0, NULL, 0 },
875	+	{ "angle_r",    0, NULL, 0 },
876		{ "hullvol",    0, NULL, 0 },
877	<	{ NULL, 0, NULL, 0 }
877	>	{ "rodlength",  0, NULL, 0 },
878	>	{ "tet_param",  0, NULL, 'Q' },
879	>	{ "tet_param_z",        0, NULL, 0 },
880	>	{ 0,  0, 0, 0 }
881		};
882
883	<	c = getopt_long (argc, argv, "hVi:o:n:b:x:y:a:c:z:gpsd", long_options, &option_index);
883	>	c = getopt_long (argc, argv, "hVi:o:n:b:x:y:a:c:z:gpsdQ", long_options, &option_index);
884
885		if (c == -1) break;       /* Exit from `while (1)' loop.  */
886
#	Line 917 | Line 1019 | cmdline_parser_internal (int argc, char * const *argv,
1019		goto failure;
1020
1021		break;
1022	<	case 'p':       /* p2 order parameter (--sele1 and --sele2 must be specified).  */
1022	>	case 'p':       /* p2 order parameter (--sele1 must be specified, --sele2 is optional).  */
1023
1024		if (args_info->staticProps_group_counter && override)
1025		reset_group_staticProps (args_info);
#	Line 962 | Line 1064 | cmdline_parser_internal (int argc, char * const *argv,
1064		goto failure;
1065
1066		break;
1067	+	case 'Q':       /* tetrahedrality order parameter.  */
1068	+
1069	+	if (args_info->staticProps_group_counter && override)
1070	+	reset_group_staticProps (args_info);
1071	+	args_info->staticProps_group_counter += 1;
1072	+
1073	+	if (update_arg( 0 ,
1074	+	0 , &(args_info->tet_param_given),
1075	+	&(local_args_info.tet_param_given), optarg, 0, 0, ARG_NO,
1076	+	check_ambiguity, override, 0, 0,
1077	+	"tet_param", 'Q',
1078	+	additional_error))
1079	+	goto failure;
1080	+
1081	+	break;
1082
1083		case 0: /* Long option with no short option */
1084	+	/* number of bins in z axis.  */
1085	+	if (strcmp (long_options[option_index].name, "nbins_z") == 0)
1086	+	{
1087	+
1088	+
1089	+	if (update_arg( (void *)&(args_info->nbins_z_arg),
1090	+	&(args_info->nbins_z_orig), &(args_info->nbins_z_given),
1091	+	&(local_args_info.nbins_z_given), optarg, 0, "100", ARG_INT,
1092	+	check_ambiguity, override, 0, 0,
1093	+	"nbins_z", '-',
1094	+	additional_error))
1095	+	goto failure;
1096	+
1097	+	}
1098	+	/* slab width (dz).  */
1099	+	else if (strcmp (long_options[option_index].name, "dz") == 0)
1100	+	{
1101	+
1102	+
1103	+	if (update_arg( (void *)&(args_info->dz_arg),
1104	+	&(args_info->dz_orig), &(args_info->dz_given),
1105	+	&(local_args_info.dz_given), optarg, 0, 0, ARG_DOUBLE,
1106	+	check_ambiguity, override, 0, 0,
1107	+	"dz", '-',
1108	+	additional_error))
1109	+	goto failure;
1110	+
1111	+	}
1112		/* maximum length (Defaults to 1/2 smallest length of first frame).  */
1113	<	if (strcmp (long_options[option_index].name, "length") == 0)
1113	>	else if (strcmp (long_options[option_index].name, "length") == 0)
1114		{
1115
1116
#	Line 978 | Line 1123 | cmdline_parser_internal (int argc, char * const *argv,
1123		goto failure;
1124
1125		}
1126	+	/* maximum length (Defaults to 1/2 smallest length of first frame).  */
1127	+	else if (strcmp (long_options[option_index].name, "zlength") == 0)
1128	+	{
1129	+
1130	+
1131	+	if (update_arg( (void *)&(args_info->zlength_arg),
1132	+	&(args_info->zlength_orig), &(args_info->zlength_given),
1133	+	&(local_args_info.zlength_given), optarg, 0, 0, ARG_DOUBLE,
1134	+	check_ambiguity, override, 0, 0,
1135	+	"zlength", '-',
1136	+	additional_error))
1137	+	goto failure;
1138	+
1139	+	}
1140		/* select the first stuntdouble set.  */
1141		else if (strcmp (long_options[option_index].name, "sele1") == 0)
1142		{
#	Line 1151 | Line 1310 | cmdline_parser_internal (int argc, char * const *argv,
1310		&(local_args_info.bad_given), optarg, 0, 0, ARG_NO,
1311		check_ambiguity, override, 0, 0,
1312		"bad", '-',
1313	+	additional_error))
1314	+	goto failure;
1315	+
1316	+	}
1317	+	/* count of molecules matching selection criteria (and associated statistics).  */
1318	+	else if (strcmp (long_options[option_index].name, "count") == 0)
1319	+	{
1320	+
1321	+	if (args_info->staticProps_group_counter && override)
1322	+	reset_group_staticProps (args_info);
1323	+	args_info->staticProps_group_counter += 1;
1324	+
1325	+	if (update_arg( 0 ,
1326	+	0 , &(args_info->count_given),
1327	+	&(local_args_info.count_given), optarg, 0, 0, ARG_NO,
1328	+	check_ambiguity, override, 0, 0,
1329	+	"count", '-',
1330		additional_error))
1331		goto failure;
1332
#	Line 1206 | Line 1382 | cmdline_parser_internal (int argc, char * const *argv,
1382		goto failure;
1383
1384		}
1385	+	/* g(r, z).  */
1386	+	else if (strcmp (long_options[option_index].name, "r_z") == 0)
1387	+	{
1388	+
1389	+	if (args_info->staticProps_group_counter && override)
1390	+	reset_group_staticProps (args_info);
1391	+	args_info->staticProps_group_counter += 1;
1392	+
1393	+	if (update_arg( 0 ,
1394	+	0 , &(args_info->r_z_given),
1395	+	&(local_args_info.r_z_given), optarg, 0, 0, ARG_NO,
1396	+	check_ambiguity, override, 0, 0,
1397	+	"r_z", '-',
1398	+	additional_error))
1399	+	goto failure;
1400	+
1401	+	}
1402		/* g(cos(theta), cos(omega)).  */
1403		else if (strcmp (long_options[option_index].name, "theta_omega") == 0)
1404		{
#	Line 1240 | Line 1433 | cmdline_parser_internal (int argc, char * const *argv,
1433		goto failure;
1434
1435		}
1436	+	/* 2D g(r) (Slab width --dz must be specified).  */
1437	+	else if (strcmp (long_options[option_index].name, "twodgofr") == 0)
1438	+	{
1439	+
1440	+	if (args_info->staticProps_group_counter && override)
1441	+	reset_group_staticProps (args_info);
1442	+	args_info->staticProps_group_counter += 1;
1443	+
1444	+	if (update_arg( 0 ,
1445	+	0 , &(args_info->twodgofr_given),
1446	+	&(local_args_info.twodgofr_given), optarg, 0, 0, ARG_NO,
1447	+	check_ambiguity, override, 0, 0,
1448	+	"twodgofr", '-',
1449	+	additional_error))
1450	+	goto failure;
1451	+
1452	+	}
1453		/* rp2 order parameter (--sele1 and --sele2 must be specified).  */
1454		else if (strcmp (long_options[option_index].name, "rp2") == 0)
1455		{
#	Line 1274 | Line 1484 | cmdline_parser_internal (int argc, char * const *argv,
1484		goto failure;
1485
1486		}
1487	+	/* p(cos(theta)).  */
1488	+	else if (strcmp (long_options[option_index].name, "p_angle") == 0)
1489	+	{
1490	+
1491	+	if (args_info->staticProps_group_counter && override)
1492	+	reset_group_staticProps (args_info);
1493	+	args_info->staticProps_group_counter += 1;
1494	+
1495	+	if (update_arg( 0 ,
1496	+	0 , &(args_info->p_angle_given),
1497	+	&(local_args_info.p_angle_given), optarg, 0, 0, ARG_NO,
1498	+	check_ambiguity, override, 0, 0,
1499	+	"p_angle", '-',
1500	+	additional_error))
1501	+	goto failure;
1502	+
1503	+	}
1504		/* hxy.  */
1505		else if (strcmp (long_options[option_index].name, "hxy") == 0)
1506		{
#	Line 1308 | Line 1535 | cmdline_parser_internal (int argc, char * const *argv,
1535		goto failure;
1536
1537		}
1538	+	/* angle of R.  */
1539	+	else if (strcmp (long_options[option_index].name, "angle_r") == 0)
1540	+	{
1541	+
1542	+	if (args_info->staticProps_group_counter && override)
1543	+	reset_group_staticProps (args_info);
1544	+	args_info->staticProps_group_counter += 1;
1545	+
1546	+	if (update_arg( 0 ,
1547	+	0 , &(args_info->angle_r_given),
1548	+	&(local_args_info.angle_r_given), optarg, 0, 0, ARG_NO,
1549	+	check_ambiguity, override, 0, 0,
1550	+	"angle_r", '-',
1551	+	additional_error))
1552	+	goto failure;
1553	+
1554	+	}
1555		/* hull volume of nanoparticle.  */
1556		else if (strcmp (long_options[option_index].name, "hullvol") == 0)
1557		{
#	Line 1325 | Line 1569 | cmdline_parser_internal (int argc, char * const *argv,
1569		goto failure;
1570
1571		}
1572	+	/* length of nanorod.  */
1573	+	else if (strcmp (long_options[option_index].name, "rodlength") == 0)
1574	+	{
1575
1576	+	if (args_info->staticProps_group_counter && override)
1577	+	reset_group_staticProps (args_info);
1578	+	args_info->staticProps_group_counter += 1;
1579	+
1580	+	if (update_arg( 0 ,
1581	+	0 , &(args_info->rodlength_given),
1582	+	&(local_args_info.rodlength_given), optarg, 0, 0, ARG_NO,
1583	+	check_ambiguity, override, 0, 0,
1584	+	"rodlength", '-',
1585	+	additional_error))
1586	+	goto failure;
1587	+
1588	+	}
1589	+	/* tetrahedrality order parameter by zbin(--sele1 must be specified).  */
1590	+	else if (strcmp (long_options[option_index].name, "tet_param_z") == 0)
1591	+	{
1592	+
1593	+	if (args_info->staticProps_group_counter && override)
1594	+	reset_group_staticProps (args_info);
1595	+	args_info->staticProps_group_counter += 1;
1596	+
1597	+	if (update_arg( 0 ,
1598	+	0 , &(args_info->tet_param_z_given),
1599	+	&(local_args_info.tet_param_z_given), optarg, 0, 0, ARG_NO,
1600	+	check_ambiguity, override, 0, 0,
1601	+	"tet_param_z", '-',
1602	+	additional_error))
1603	+	goto failure;
1604	+
1605	+	}
1606	+
1607		break;
1608		case '?':       /* Invalid option.  */
1609		/* `getopt_long' already printed an error message.  */
#	Line 1339 | Line 1617 | cmdline_parser_internal (int argc, char * const *argv,
1617
1618		if (args_info->staticProps_group_counter > 1)
1619		{
1620	<	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 : ""));
1620	>	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 : ""));
1621		error = 1;
1622		}
1623
#	Line 1355 | Line 1633 | cmdline_parser_internal (int argc, char * const *argv,
1633		if ( error )
1634		return (EXIT_FAILURE);
1635
1636	+	if (optind < argc)
1637	+	{
1638	+	int i = 0 ;
1639	+	int found_prog_name = 0;
1640	+	/* whether program name, i.e., argv[0], is in the remaining args
1641	+	(this may happen with some implementations of getopt,
1642	+	but surely not with the one included by gengetopt) */
1643	+
1644	+	i = optind;
1645	+	while (i < argc)
1646	+	if (argv[i++] == argv[0]) {
1647	+	found_prog_name = 1;
1648	+	break;
1649	+	}
1650	+	i = 0;
1651	+
1652	+	args_info->inputs_num = argc - optind - found_prog_name;
1653	+	args_info->inputs =
1654	+	(char **)(malloc ((args_info->inputs_num)*sizeof(char *))) ;
1655	+	while (optind < argc)
1656	+	if (argv[optind++] != argv[0])
1657	+	args_info->inputs[ i++ ] = gengetopt_strdup (argv[optind-1]) ;
1658	+	}
1659	+
1660		return 0;
1661
1662		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 1782 by gezelter, Wed Aug 22 02:28:28 2012 UTC

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

Diff Legend

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