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

Comparing trunk/src/applications/staticProps/StaticPropsCmd.c (file contents):
Revision 1390 by gezelter, Wed Nov 25 20:02:06 2009 UTC vs.
Revision 1531 by kstocke1, Wed Dec 29 16:48:19 2010 UTC

#	Line 1 | Line 1
1		/*
2	<	File autogenerated by gengetopt version 2.22
2	>	File autogenerated by gengetopt version 2.22.4
3		generated with the following command:
4	<	gengetopt -F StaticPropsCmd
4	>	gengetopt -F StaticPropsCmd -u
5
6		The developers of gengetopt consider the fixed text that goes in all
7		gengetopt output files to be in the public domain:
#	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	+	"      --twodgofr                2D g(r) (Slab width --dz must be specified)",
72		"  -p, --p2                      p2 order parameter (--sele1 and --sele2 must be \n                                  specified)",
73		"      --rp2                     rp2 order parameter (--sele1 and --sele2 must \n                                  be specified)",
74		"  -s, --scd                     scd order parameter (either --sele1, --sele2, \n                                  --sele3 are specified or --molname, --begin, \n                                  --end are specified)",
75		"  -d, --density                 density plot",
76		"      --slab_density            slab density",
77	+	"      --p_angle                 p(cos(theta))",
78		"      --hxy                     hxy",
79		"      --rho_r                   rho of R",
80	+	"      --angle_r                 angle of R",
81		"      --hullvol                 hull volume of nanoparticle",
82	+	"  -Q, --tet_param               tetrahedrality order parameter",
83		0
84		};
85
#	Line 82 | Line 95 | static int
95		void clear_args (struct gengetopt_args_info *args_info);
96
97		static int
98	<	cmdline_parser_internal (int argc, char * const *argv, struct gengetopt_args_info *args_info,
98	>	cmdline_parser_internal (int argc, char **argv, struct gengetopt_args_info *args_info,
99		struct cmdline_parser_params *params, const char *additional_error);
100
101		static int
#	Line 102 | Line 115 | void clear_given (struct gengetopt_args_info *args_inf
115		args_info->nbins_given = 0 ;
116		args_info->nbins_x_given = 0 ;
117		args_info->nbins_y_given = 0 ;
118	+	args_info->nbins_z_given = 0 ;
119		args_info->nanglebins_given = 0 ;
106	–	args_info->length_given = 0 ;
120		args_info->rcut_given = 0 ;
121	+	args_info->dz_given = 0 ;
122	+	args_info->length_given = 0 ;
123	+	args_info->zlength_given = 0 ;
124		args_info->zoffset_given = 0 ;
125		args_info->sele1_given = 0 ;
126		args_info->sele2_given = 0 ;
#	Line 118 | Line 134 | void clear_given (struct gengetopt_args_info *args_inf
134		args_info->bo_given = 0 ;
135		args_info->bor_given = 0 ;
136		args_info->bad_given = 0 ;
137	+	args_info->count_given = 0 ;
138		args_info->gofr_given = 0 ;
139		args_info->gofz_given = 0 ;
140		args_info->r_theta_given = 0 ;
141		args_info->r_omega_given = 0 ;
142	+	args_info->r_z_given = 0 ;
143		args_info->theta_omega_given = 0 ;
144		args_info->gxyz_given = 0 ;
145	+	args_info->twodgofr_given = 0 ;
146		args_info->p2_given = 0 ;
147		args_info->rp2_given = 0 ;
148		args_info->scd_given = 0 ;
149		args_info->density_given = 0 ;
150		args_info->slab_density_given = 0 ;
151	+	args_info->p_angle_given = 0 ;
152		args_info->hxy_given = 0 ;
153		args_info->rho_r_given = 0 ;
154	+	args_info->angle_r_given = 0 ;
155		args_info->hullvol_given = 0 ;
156	+	args_info->tet_param_given = 0 ;
157		args_info->staticProps_group_counter = 0 ;
158		}
159
160		static
161		void clear_args (struct gengetopt_args_info *args_info)
162		{
163	+	FIX_UNUSED (args_info);
164		args_info->input_arg = NULL;
165		args_info->input_orig = NULL;
166		args_info->output_arg = NULL;
#	Line 150 | Line 173 | void clear_args (struct gengetopt_args_info *args_info
173		args_info->nbins_x_orig = NULL;
174		args_info->nbins_y_arg = 100;
175		args_info->nbins_y_orig = NULL;
176	+	args_info->nbins_z_arg = 100;
177	+	args_info->nbins_z_orig = NULL;
178		args_info->nanglebins_arg = 50;
179		args_info->nanglebins_orig = NULL;
155	–	args_info->length_orig = NULL;
180		args_info->rcut_orig = NULL;
181	+	args_info->dz_orig = NULL;
182	+	args_info->length_orig = NULL;
183	+	args_info->zlength_orig = NULL;
184		args_info->zoffset_arg = 0;
185		args_info->zoffset_orig = NULL;
186		args_info->sele1_arg = NULL;
#	Line 187 | Line 214 | void init_args_info(struct gengetopt_args_info *args_i
214		args_info->nbins_help = gengetopt_args_info_help[5] ;
215		args_info->nbins_x_help = gengetopt_args_info_help[6] ;
216		args_info->nbins_y_help = gengetopt_args_info_help[7] ;
217	<	args_info->nanglebins_help = gengetopt_args_info_help[8] ;
218	<	args_info->length_help = gengetopt_args_info_help[9] ;
217	>	args_info->nbins_z_help = gengetopt_args_info_help[8] ;
218	>	args_info->nanglebins_help = gengetopt_args_info_help[9] ;
219		args_info->rcut_help = gengetopt_args_info_help[10] ;
220	<	args_info->zoffset_help = gengetopt_args_info_help[11] ;
221	<	args_info->sele1_help = gengetopt_args_info_help[12] ;
222	<	args_info->sele2_help = gengetopt_args_info_help[13] ;
223	<	args_info->sele3_help = gengetopt_args_info_help[14] ;
224	<	args_info->refsele_help = gengetopt_args_info_help[15] ;
225	<	args_info->comsele_help = gengetopt_args_info_help[16] ;
226	<	args_info->molname_help = gengetopt_args_info_help[17] ;
227	<	args_info->begin_help = gengetopt_args_info_help[18] ;
228	<	args_info->end_help = gengetopt_args_info_help[19] ;
229	<	args_info->radius_help = gengetopt_args_info_help[20] ;
230	<	args_info->bo_help = gengetopt_args_info_help[22] ;
231	<	args_info->bor_help = gengetopt_args_info_help[23] ;
232	<	args_info->bad_help = gengetopt_args_info_help[24] ;
233	<	args_info->gofr_help = gengetopt_args_info_help[25] ;
234	<	args_info->gofz_help = gengetopt_args_info_help[26] ;
235	<	args_info->r_theta_help = gengetopt_args_info_help[27] ;
236	<	args_info->r_omega_help = gengetopt_args_info_help[28] ;
237	<	args_info->theta_omega_help = gengetopt_args_info_help[29] ;
238	<	args_info->gxyz_help = gengetopt_args_info_help[30] ;
239	<	args_info->p2_help = gengetopt_args_info_help[31] ;
240	<	args_info->rp2_help = gengetopt_args_info_help[32] ;
241	<	args_info->scd_help = gengetopt_args_info_help[33] ;
242	<	args_info->density_help = gengetopt_args_info_help[34] ;
243	<	args_info->slab_density_help = gengetopt_args_info_help[35] ;
244	<	args_info->hxy_help = gengetopt_args_info_help[36] ;
245	<	args_info->rho_r_help = gengetopt_args_info_help[37] ;
246	<	args_info->hullvol_help = gengetopt_args_info_help[38] ;
220	>	args_info->dz_help = gengetopt_args_info_help[11] ;
221	>	args_info->length_help = gengetopt_args_info_help[12] ;
222	>	args_info->zlength_help = gengetopt_args_info_help[13] ;
223	>	args_info->zoffset_help = gengetopt_args_info_help[14] ;
224	>	args_info->sele1_help = gengetopt_args_info_help[15] ;
225	>	args_info->sele2_help = gengetopt_args_info_help[16] ;
226	>	args_info->sele3_help = gengetopt_args_info_help[17] ;
227	>	args_info->refsele_help = gengetopt_args_info_help[18] ;
228	>	args_info->comsele_help = gengetopt_args_info_help[19] ;
229	>	args_info->molname_help = gengetopt_args_info_help[20] ;
230	>	args_info->begin_help = gengetopt_args_info_help[21] ;
231	>	args_info->end_help = gengetopt_args_info_help[22] ;
232	>	args_info->radius_help = gengetopt_args_info_help[23] ;
233	>	args_info->bo_help = gengetopt_args_info_help[25] ;
234	>	args_info->bor_help = gengetopt_args_info_help[26] ;
235	>	args_info->bad_help = gengetopt_args_info_help[27] ;
236	>	args_info->count_help = gengetopt_args_info_help[28] ;
237	>	args_info->gofr_help = gengetopt_args_info_help[29] ;
238	>	args_info->gofz_help = gengetopt_args_info_help[30] ;
239	>	args_info->r_theta_help = gengetopt_args_info_help[31] ;
240	>	args_info->r_omega_help = gengetopt_args_info_help[32] ;
241	>	args_info->r_z_help = gengetopt_args_info_help[33] ;
242	>	args_info->theta_omega_help = gengetopt_args_info_help[34] ;
243	>	args_info->gxyz_help = gengetopt_args_info_help[35] ;
244	>	args_info->twodgofr_help = gengetopt_args_info_help[36] ;
245	>	args_info->p2_help = gengetopt_args_info_help[37] ;
246	>	args_info->rp2_help = gengetopt_args_info_help[38] ;
247	>	args_info->scd_help = gengetopt_args_info_help[39] ;
248	>	args_info->density_help = gengetopt_args_info_help[40] ;
249	>	args_info->slab_density_help = gengetopt_args_info_help[41] ;
250	>	args_info->p_angle_help = gengetopt_args_info_help[42] ;
251	>	args_info->hxy_help = gengetopt_args_info_help[43] ;
252	>	args_info->rho_r_help = gengetopt_args_info_help[44] ;
253	>	args_info->angle_r_help = gengetopt_args_info_help[45] ;
254	>	args_info->hullvol_help = gengetopt_args_info_help[46] ;
255	>	args_info->tet_param_help = gengetopt_args_info_help[47] ;
256
257		}
258
259		void
260		cmdline_parser_print_version (void)
261		{
262	<	printf ("%s %s\n", CMDLINE_PARSER_PACKAGE, CMDLINE_PARSER_VERSION);
262	>	printf ("%s %s\n",
263	>	(strlen(CMDLINE_PARSER_PACKAGE_NAME) ? CMDLINE_PARSER_PACKAGE_NAME : CMDLINE_PARSER_PACKAGE),
264	>	CMDLINE_PARSER_VERSION);
265		}
266
267		static void print_help_common(void) {
#	Line 238 | Line 276 | static void print_help_common(void) {
276		printf("\n");
277
278		if (strlen(gengetopt_args_info_description) > 0)
279	<	printf("%s\n", gengetopt_args_info_description);
279	>	printf("%s\n\n", gengetopt_args_info_description);
280		}
281
282		void
#	Line 256 | Line 294 | cmdline_parser_init (struct gengetopt_args_info *args_
294		clear_given (args_info);
295		clear_args (args_info);
296		init_args_info (args_info);
297	+
298	+	args_info->inputs = 0;
299	+	args_info->inputs_num = 0;
300		}
301
302		void
#	Line 294 | Line 335 | cmdline_parser_release (struct gengetopt_args_info *ar
335		static void
336		cmdline_parser_release (struct gengetopt_args_info *args_info)
337		{
338	<
338	>	unsigned int i;
339		free_string_field (&(args_info->input_arg));
340		free_string_field (&(args_info->input_orig));
341		free_string_field (&(args_info->output_arg));
#	Line 303 | Line 344 | cmdline_parser_release (struct gengetopt_args_info *ar
344		free_string_field (&(args_info->nbins_orig));
345		free_string_field (&(args_info->nbins_x_orig));
346		free_string_field (&(args_info->nbins_y_orig));
347	+	free_string_field (&(args_info->nbins_z_orig));
348		free_string_field (&(args_info->nanglebins_orig));
307	–	free_string_field (&(args_info->length_orig));
349		free_string_field (&(args_info->rcut_orig));
350	+	free_string_field (&(args_info->dz_orig));
351	+	free_string_field (&(args_info->length_orig));
352	+	free_string_field (&(args_info->zlength_orig));
353		free_string_field (&(args_info->zoffset_orig));
354		free_string_field (&(args_info->sele1_arg));
355		free_string_field (&(args_info->sele1_orig));
#	Line 324 | Line 368 | cmdline_parser_release (struct gengetopt_args_info *ar
368		free_string_field (&(args_info->radius_orig));
369
370
371	+	for (i = 0; i < args_info->inputs_num; ++i)
372	+	free (args_info->inputs [i]);
373
374	+	if (args_info->inputs_num)
375	+	free (args_info->inputs);
376	+
377		clear_given (args_info);
378		}
379
380
381		static void
382	<	write_into_file(FILE *outfile, const char *opt, const char *arg, char *values[])
382	>	write_into_file(FILE *outfile, const char *opt, const char *arg, const char *values[])
383		{
384	+	FIX_UNUSED (values);
385		if (arg) {
386		fprintf(outfile, "%s=\"%s\"\n", opt, arg);
387		} else {
#	Line 367 | Line 417 | cmdline_parser_dump(FILE *outfile, struct gengetopt_ar
417		write_into_file(outfile, "nbins_x", args_info->nbins_x_orig, 0);
418		if (args_info->nbins_y_given)
419		write_into_file(outfile, "nbins_y", args_info->nbins_y_orig, 0);
420	+	if (args_info->nbins_z_given)
421	+	write_into_file(outfile, "nbins_z", args_info->nbins_z_orig, 0);
422		if (args_info->nanglebins_given)
423		write_into_file(outfile, "nanglebins", args_info->nanglebins_orig, 0);
372	–	if (args_info->length_given)
373	–	write_into_file(outfile, "length", args_info->length_orig, 0);
424		if (args_info->rcut_given)
425		write_into_file(outfile, "rcut", args_info->rcut_orig, 0);
426	+	if (args_info->dz_given)
427	+	write_into_file(outfile, "dz", args_info->dz_orig, 0);
428	+	if (args_info->length_given)
429	+	write_into_file(outfile, "length", args_info->length_orig, 0);
430	+	if (args_info->zlength_given)
431	+	write_into_file(outfile, "zlength", args_info->zlength_orig, 0);
432		if (args_info->zoffset_given)
433		write_into_file(outfile, "zoffset", args_info->zoffset_orig, 0);
434		if (args_info->sele1_given)
#	Line 399 | Line 455 | cmdline_parser_dump(FILE *outfile, struct gengetopt_ar
455		write_into_file(outfile, "bor", 0, 0 );
456		if (args_info->bad_given)
457		write_into_file(outfile, "bad", 0, 0 );
458	+	if (args_info->count_given)
459	+	write_into_file(outfile, "count", 0, 0 );
460		if (args_info->gofr_given)
461		write_into_file(outfile, "gofr", 0, 0 );
462		if (args_info->gofz_given)
#	Line 407 | Line 465 | cmdline_parser_dump(FILE *outfile, struct gengetopt_ar
465		write_into_file(outfile, "r_theta", 0, 0 );
466		if (args_info->r_omega_given)
467		write_into_file(outfile, "r_omega", 0, 0 );
468	+	if (args_info->r_z_given)
469	+	write_into_file(outfile, "r_z", 0, 0 );
470		if (args_info->theta_omega_given)
471		write_into_file(outfile, "theta_omega", 0, 0 );
472		if (args_info->gxyz_given)
473		write_into_file(outfile, "gxyz", 0, 0 );
474	+	if (args_info->twodgofr_given)
475	+	write_into_file(outfile, "twodgofr", 0, 0 );
476		if (args_info->p2_given)
477		write_into_file(outfile, "p2", 0, 0 );
478		if (args_info->rp2_given)
#	Line 421 | Line 483 | cmdline_parser_dump(FILE *outfile, struct gengetopt_ar
483		write_into_file(outfile, "density", 0, 0 );
484		if (args_info->slab_density_given)
485		write_into_file(outfile, "slab_density", 0, 0 );
486	+	if (args_info->p_angle_given)
487	+	write_into_file(outfile, "p_angle", 0, 0 );
488		if (args_info->hxy_given)
489		write_into_file(outfile, "hxy", 0, 0 );
490		if (args_info->rho_r_given)
491		write_into_file(outfile, "rho_r", 0, 0 );
492	+	if (args_info->angle_r_given)
493	+	write_into_file(outfile, "angle_r", 0, 0 );
494		if (args_info->hullvol_given)
495		write_into_file(outfile, "hullvol", 0, 0 );
496	+	if (args_info->tet_param_given)
497	+	write_into_file(outfile, "tet_param", 0, 0 );
498
499
500		i = EXIT_SUCCESS;
#	Line 463 | Line 531 | gengetopt_strdup (const char *s)
531		char *
532		gengetopt_strdup (const char *s)
533		{
534	<	char *result = NULL;
534	>	char *result = 0;
535		if (!s)
536		return result;
537
#	Line 483 | Line 551 | reset_group_staticProps(struct gengetopt_args_info *ar
551		args_info->bo_given = 0 ;
552		args_info->bor_given = 0 ;
553		args_info->bad_given = 0 ;
554	+	args_info->count_given = 0 ;
555		args_info->gofr_given = 0 ;
556		args_info->gofz_given = 0 ;
557		args_info->r_theta_given = 0 ;
558		args_info->r_omega_given = 0 ;
559	+	args_info->r_z_given = 0 ;
560		args_info->theta_omega_given = 0 ;
561		args_info->gxyz_given = 0 ;
562	+	args_info->twodgofr_given = 0 ;
563		args_info->p2_given = 0 ;
564		args_info->rp2_given = 0 ;
565		args_info->scd_given = 0 ;
566		args_info->density_given = 0 ;
567		args_info->slab_density_given = 0 ;
568	+	args_info->p_angle_given = 0 ;
569		args_info->hxy_given = 0 ;
570		args_info->rho_r_given = 0 ;
571	+	args_info->angle_r_given = 0 ;
572		args_info->hullvol_given = 0 ;
573	+	args_info->tet_param_given = 0 ;
574
575		args_info->staticProps_group_counter = 0;
576		}
577
578		int
579	<	cmdline_parser (int argc, char * const *argv, struct gengetopt_args_info *args_info)
579	>	cmdline_parser (int argc, char **argv, struct gengetopt_args_info *args_info)
580		{
581		return cmdline_parser2 (argc, argv, args_info, 0, 1, 1);
582		}
583
584		int
585	<	cmdline_parser_ext (int argc, char * const *argv, struct gengetopt_args_info *args_info,
585	>	cmdline_parser_ext (int argc, char **argv, struct gengetopt_args_info *args_info,
586		struct cmdline_parser_params *params)
587		{
588		int result;
589	<	result = cmdline_parser_internal (argc, argv, args_info, params, NULL);
589	>	result = cmdline_parser_internal (argc, argv, args_info, params, 0);
590
591		if (result == EXIT_FAILURE)
592		{
#	Line 524 | Line 598 | int
598		}
599
600		int
601	<	cmdline_parser2 (int argc, char * const *argv, struct gengetopt_args_info *args_info, int override, int initialize, int check_required)
601	>	cmdline_parser2 (int argc, char **argv, struct gengetopt_args_info *args_info, int override, int initialize, int check_required)
602		{
603		int result;
604		struct cmdline_parser_params params;
#	Line 535 | Line 609 | cmdline_parser2 (int argc, char * const *argv, struct
609		params.check_ambiguity = 0;
610		params.print_errors = 1;
611
612	<	result = cmdline_parser_internal (argc, argv, args_info, &params, NULL);
612	>	result = cmdline_parser_internal (argc, argv, args_info, &params, 0);
613
614		if (result == EXIT_FAILURE)
615		{
#	Line 551 | Line 625 | cmdline_parser_required (struct gengetopt_args_info *a
625		{
626		int result = EXIT_SUCCESS;
627
628	<	if (cmdline_parser_required2(args_info, prog_name, NULL) > 0)
628	>	if (cmdline_parser_required2(args_info, prog_name, 0) > 0)
629		result = EXIT_FAILURE;
630
631		if (result == EXIT_FAILURE)
#	Line 567 | Line 641 | cmdline_parser_required2 (struct gengetopt_args_info *
641		cmdline_parser_required2 (struct gengetopt_args_info *args_info, const char *prog_name, const char *additional_error)
642		{
643		int error = 0;
644	+	FIX_UNUSED (additional_error);
645
646		/* checks for required options */
647		if (! args_info->input_given)
#	Line 577 | Line 652 | cmdline_parser_required2 (struct gengetopt_args_info *
652
653		if (args_info->staticProps_group_counter == 0)
654		{
655	<	fprintf (stderr, "%s: %d options of group staticProps were given. One is required.%s\n", prog_name, args_info->staticProps_group_counter, (additional_error ? additional_error : ""));
655	>	fprintf (stderr, "%s: %d options of group staticProps were given. One is required%s.\n", prog_name, args_info->staticProps_group_counter, (additional_error ? additional_error : ""));
656		error = 1;
657		}
658
#	Line 611 | Line 686 | int update_arg(void *field, char **orig_field,
686		static
687		int update_arg(void *field, char **orig_field,
688		unsigned int *field_given, unsigned int *prev_given,
689	<	char *value, char *possible_values[], const char *default_value,
689	>	char *value, const char *possible_values[],
690	>	const char *default_value,
691		cmdline_parser_arg_type arg_type,
692		int check_ambiguity, int override,
693		int no_free, int multiple_option,
#	Line 622 | Line 698 | int update_arg(void *field, char **orig_field,
698		const char *val = value;
699		int found;
700		char **string_field;
701	+	FIX_UNUSED (field);
702
703		stop_char = 0;
704		found = 0;
#	Line 639 | Line 716 | int update_arg(void *field, char **orig_field,
716		return 1; /* failure */
717		}
718
719	+	FIX_UNUSED (default_value);
720
721		if (field_given && *field_given && ! override)
722		return 0;
#	Line 702 | Line 780 | int
780
781
782		int
783	<	cmdline_parser_internal (int argc, char * const *argv, struct gengetopt_args_info *args_info,
783	>	cmdline_parser_internal (
784	>	int argc, char **argv, struct gengetopt_args_info *args_info,
785		struct cmdline_parser_params *params, const char *additional_error)
786		{
787		int c;        /* Character of the parsed option.  */
#	Line 745 | Line 824 | cmdline_parser_internal (int argc, char * const *argv,
824		{ "nbins",      1, NULL, 'b' },
825		{ "nbins_x",    1, NULL, 'x' },
826		{ "nbins_y",    1, NULL, 'y' },
827	+	{ "nbins_z",    1, NULL, 0 },
828		{ "nanglebins", 1, NULL, 'a' },
749	–	{ "length",     1, NULL, 0 },
829		{ "rcut",       1, NULL, 'c' },
830	+	{ "dz", 1, NULL, 0 },
831	+	{ "length",     1, NULL, 0 },
832	+	{ "zlength",    1, NULL, 0 },
833		{ "zoffset",    1, NULL, 'z' },
834		{ "sele1",      1, NULL, 0 },
835		{ "sele2",      1, NULL, 0 },
#	Line 761 | Line 843 | cmdline_parser_internal (int argc, char * const *argv,
843		{ "bo", 0, NULL, 0 },
844		{ "bor",        0, NULL, 0 },
845		{ "bad",        0, NULL, 0 },
846	+	{ "count",      0, NULL, 0 },
847		{ "gofr",       0, NULL, 'g' },
848		{ "gofz",       0, NULL, 0 },
849		{ "r_theta",    0, NULL, 0 },
850		{ "r_omega",    0, NULL, 0 },
851	+	{ "r_z",        0, NULL, 0 },
852		{ "theta_omega",        0, NULL, 0 },
853		{ "gxyz",       0, NULL, 0 },
854	+	{ "twodgofr",   0, NULL, 0 },
855		{ "p2", 0, NULL, 'p' },
856		{ "rp2",        0, NULL, 0 },
857		{ "scd",        0, NULL, 's' },
858		{ "density",    0, NULL, 'd' },
859		{ "slab_density",       0, NULL, 0 },
860	+	{ "p_angle",    0, NULL, 0 },
861		{ "hxy",        0, NULL, 0 },
862		{ "rho_r",      0, NULL, 0 },
863	+	{ "angle_r",    0, NULL, 0 },
864		{ "hullvol",    0, NULL, 0 },
865	<	{ NULL, 0, NULL, 0 }
865	>	{ "tet_param",  0, NULL, 'Q' },
866	>	{ 0,  0, 0, 0 }
867		};
868
869	<	c = getopt_long (argc, argv, "hVi:o:n:b:x:y:a:c:z:gpsd", long_options, &option_index);
869	>	c = getopt_long (argc, argv, "hVi:o:n:b:x:y:a:c:z:gpsdQ", long_options, &option_index);
870
871		if (c == -1) break;       /* Exit from `while (1)' loop.  */
872
#	Line 958 | Line 1046 | cmdline_parser_internal (int argc, char * const *argv,
1046		&(local_args_info.density_given), optarg, 0, 0, ARG_NO,
1047		check_ambiguity, override, 0, 0,
1048		"density", 'd',
1049	+	additional_error))
1050	+	goto failure;
1051	+
1052	+	break;
1053	+	case 'Q':       /* tetrahedrality order parameter.  */
1054	+
1055	+	if (args_info->staticProps_group_counter && override)
1056	+	reset_group_staticProps (args_info);
1057	+	args_info->staticProps_group_counter += 1;
1058	+
1059	+	if (update_arg( 0 ,
1060	+	0 , &(args_info->tet_param_given),
1061	+	&(local_args_info.tet_param_given), optarg, 0, 0, ARG_NO,
1062	+	check_ambiguity, override, 0, 0,
1063	+	"tet_param", 'Q',
1064		additional_error))
1065		goto failure;
1066
1067		break;
1068
1069		case 0: /* Long option with no short option */
1070	+	/* number of bins in z axis.  */
1071	+	if (strcmp (long_options[option_index].name, "nbins_z") == 0)
1072	+	{
1073	+
1074	+
1075	+	if (update_arg( (void *)&(args_info->nbins_z_arg),
1076	+	&(args_info->nbins_z_orig), &(args_info->nbins_z_given),
1077	+	&(local_args_info.nbins_z_given), optarg, 0, "100", ARG_INT,
1078	+	check_ambiguity, override, 0, 0,
1079	+	"nbins_z", '-',
1080	+	additional_error))
1081	+	goto failure;
1082	+
1083	+	}
1084	+	/* slab width (dz).  */
1085	+	else if (strcmp (long_options[option_index].name, "dz") == 0)
1086	+	{
1087	+
1088	+
1089	+	if (update_arg( (void *)&(args_info->dz_arg),
1090	+	&(args_info->dz_orig), &(args_info->dz_given),
1091	+	&(local_args_info.dz_given), optarg, 0, 0, ARG_DOUBLE,
1092	+	check_ambiguity, override, 0, 0,
1093	+	"dz", '-',
1094	+	additional_error))
1095	+	goto failure;
1096	+
1097	+	}
1098		/* maximum length (Defaults to 1/2 smallest length of first frame).  */
1099	<	if (strcmp (long_options[option_index].name, "length") == 0)
1099	>	else if (strcmp (long_options[option_index].name, "length") == 0)
1100		{
1101
1102
#	Line 978 | Line 1109 | cmdline_parser_internal (int argc, char * const *argv,
1109		goto failure;
1110
1111		}
1112	+	/* maximum length (Defaults to 1/2 smallest length of first frame).  */
1113	+	else if (strcmp (long_options[option_index].name, "zlength") == 0)
1114	+	{
1115	+
1116	+
1117	+	if (update_arg( (void *)&(args_info->zlength_arg),
1118	+	&(args_info->zlength_orig), &(args_info->zlength_given),
1119	+	&(local_args_info.zlength_given), optarg, 0, 0, ARG_DOUBLE,
1120	+	check_ambiguity, override, 0, 0,
1121	+	"zlength", '-',
1122	+	additional_error))
1123	+	goto failure;
1124	+
1125	+	}
1126		/* select the first stuntdouble set.  */
1127		else if (strcmp (long_options[option_index].name, "sele1") == 0)
1128		{
#	Line 1155 | Line 1300 | cmdline_parser_internal (int argc, char * const *argv,
1300		goto failure;
1301
1302		}
1303	+	/* count of molecules matching selection criteria (and associated statistics).  */
1304	+	else if (strcmp (long_options[option_index].name, "count") == 0)
1305	+	{
1306	+
1307	+	if (args_info->staticProps_group_counter && override)
1308	+	reset_group_staticProps (args_info);
1309	+	args_info->staticProps_group_counter += 1;
1310	+
1311	+	if (update_arg( 0 ,
1312	+	0 , &(args_info->count_given),
1313	+	&(local_args_info.count_given), optarg, 0, 0, ARG_NO,
1314	+	check_ambiguity, override, 0, 0,
1315	+	"count", '-',
1316	+	additional_error))
1317	+	goto failure;
1318	+
1319	+	}
1320		/* g(z).  */
1321		else if (strcmp (long_options[option_index].name, "gofz") == 0)
1322		{
#	Line 1206 | Line 1368 | cmdline_parser_internal (int argc, char * const *argv,
1368		goto failure;
1369
1370		}
1371	+	/* g(r, z).  */
1372	+	else if (strcmp (long_options[option_index].name, "r_z") == 0)
1373	+	{
1374	+
1375	+	if (args_info->staticProps_group_counter && override)
1376	+	reset_group_staticProps (args_info);
1377	+	args_info->staticProps_group_counter += 1;
1378	+
1379	+	if (update_arg( 0 ,
1380	+	0 , &(args_info->r_z_given),
1381	+	&(local_args_info.r_z_given), optarg, 0, 0, ARG_NO,
1382	+	check_ambiguity, override, 0, 0,
1383	+	"r_z", '-',
1384	+	additional_error))
1385	+	goto failure;
1386	+
1387	+	}
1388		/* g(cos(theta), cos(omega)).  */
1389		else if (strcmp (long_options[option_index].name, "theta_omega") == 0)
1390		{
#	Line 1240 | Line 1419 | cmdline_parser_internal (int argc, char * const *argv,
1419		goto failure;
1420
1421		}
1422	+	/* 2D g(r) (Slab width --dz must be specified).  */
1423	+	else if (strcmp (long_options[option_index].name, "twodgofr") == 0)
1424	+	{
1425	+
1426	+	if (args_info->staticProps_group_counter && override)
1427	+	reset_group_staticProps (args_info);
1428	+	args_info->staticProps_group_counter += 1;
1429	+
1430	+	if (update_arg( 0 ,
1431	+	0 , &(args_info->twodgofr_given),
1432	+	&(local_args_info.twodgofr_given), optarg, 0, 0, ARG_NO,
1433	+	check_ambiguity, override, 0, 0,
1434	+	"twodgofr", '-',
1435	+	additional_error))
1436	+	goto failure;
1437	+
1438	+	}
1439		/* rp2 order parameter (--sele1 and --sele2 must be specified).  */
1440		else if (strcmp (long_options[option_index].name, "rp2") == 0)
1441		{
#	Line 1274 | Line 1470 | cmdline_parser_internal (int argc, char * const *argv,
1470		goto failure;
1471
1472		}
1473	+	/* p(cos(theta)).  */
1474	+	else if (strcmp (long_options[option_index].name, "p_angle") == 0)
1475	+	{
1476	+
1477	+	if (args_info->staticProps_group_counter && override)
1478	+	reset_group_staticProps (args_info);
1479	+	args_info->staticProps_group_counter += 1;
1480	+
1481	+	if (update_arg( 0 ,
1482	+	0 , &(args_info->p_angle_given),
1483	+	&(local_args_info.p_angle_given), optarg, 0, 0, ARG_NO,
1484	+	check_ambiguity, override, 0, 0,
1485	+	"p_angle", '-',
1486	+	additional_error))
1487	+	goto failure;
1488	+
1489	+	}
1490		/* hxy.  */
1491		else if (strcmp (long_options[option_index].name, "hxy") == 0)
1492		{
#	Line 1308 | Line 1521 | cmdline_parser_internal (int argc, char * const *argv,
1521		goto failure;
1522
1523		}
1524	+	/* angle of R.  */
1525	+	else if (strcmp (long_options[option_index].name, "angle_r") == 0)
1526	+	{
1527	+
1528	+	if (args_info->staticProps_group_counter && override)
1529	+	reset_group_staticProps (args_info);
1530	+	args_info->staticProps_group_counter += 1;
1531	+
1532	+	if (update_arg( 0 ,
1533	+	0 , &(args_info->angle_r_given),
1534	+	&(local_args_info.angle_r_given), optarg, 0, 0, ARG_NO,
1535	+	check_ambiguity, override, 0, 0,
1536	+	"angle_r", '-',
1537	+	additional_error))
1538	+	goto failure;
1539	+
1540	+	}
1541		/* hull volume of nanoparticle.  */
1542		else if (strcmp (long_options[option_index].name, "hullvol") == 0)
1543		{
#	Line 1339 | Line 1569 | cmdline_parser_internal (int argc, char * const *argv,
1569
1570		if (args_info->staticProps_group_counter > 1)
1571		{
1572	<	fprintf (stderr, "%s: %d options of group staticProps were given. One is required.%s\n", argv[0], args_info->staticProps_group_counter, (additional_error ? additional_error : ""));
1572	>	fprintf (stderr, "%s: %d options of group staticProps were given. One is required%s.\n", argv[0], args_info->staticProps_group_counter, (additional_error ? additional_error : ""));
1573		error = 1;
1574		}
1575
#	Line 1355 | Line 1585 | cmdline_parser_internal (int argc, char * const *argv,
1585		if ( error )
1586		return (EXIT_FAILURE);
1587
1588	+	if (optind < argc)
1589	+	{
1590	+	int i = 0 ;
1591	+	int found_prog_name = 0;
1592	+	/* whether program name, i.e., argv[0], is in the remaining args
1593	+	(this may happen with some implementations of getopt,
1594	+	but surely not with the one included by gengetopt) */
1595	+
1596	+	i = optind;
1597	+	while (i < argc)
1598	+	if (argv[i++] == argv[0]) {
1599	+	found_prog_name = 1;
1600	+	break;
1601	+	}
1602	+	i = 0;
1603	+
1604	+	args_info->inputs_num = argc - optind - found_prog_name;
1605	+	args_info->inputs =
1606	+	(char **)(malloc ((args_info->inputs_num)*sizeof(char *))) ;
1607	+	while (optind < argc)
1608	+	if (argv[optind++] != argv[0])
1609	+	args_info->inputs[ i++ ] = gengetopt_strdup (argv[optind-1]) ;
1610	+	}
1611	+
1612		return 0;
1613
1614		failure:

Comparing trunk/src/applications/staticProps/StaticPropsCmd.c (property svn:keywords):
Revision 1390 by gezelter, Wed Nov 25 20:02:06 2009 UTC vs.
Revision 1531 by kstocke1, Wed Dec 29 16:48:19 2010 UTC

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

Diff Legend

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