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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.
branches/development/src/applications/staticProps/StaticPropsCmd.c (file contents), Revision 1629 by gezelter, Wed Sep 14 21:15:17 2011 UTC

#	Line 1 | Line 1
1		/*
2	<	File autogenerated by gengetopt version 2.22
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	<	"  -p, --p2                      p2 order parameter (--sele1 and --sele2 must be \n                                  specified)",
71	>	"      --twodgofr                2D g(r) (Slab width --dz must be specified)",
72	>	"  -p, --p2                      p2 order parameter (--sele1 must be specified, \n                                  --sele2 is optional)",
73		"      --rp2                     rp2 order parameter (--sele1 and --sele2 must \n                                  be specified)",
74		"  -s, --scd                     scd order parameter (either --sele1, --sele2, \n                                  --sele3 are specified or --molname, --begin, \n                                  --end are specified)",
75		"  -d, --density                 density plot",
76		"      --slab_density            slab density",
77	+	"      --p_angle                 p(cos(theta))",
78		"      --hxy                     hxy",
79		"      --rho_r                   rho of R",
80	+	"      --angle_r                 angle of R",
81		"      --hullvol                 hull volume of nanoparticle",
82	+	"      --rodlength               length of nanorod",
83	+	"  -Q, --tet_param               tetrahedrality order parameter",
84		0
85		};
86
#	Line 82 | Line 96 | static int
96		void clear_args (struct gengetopt_args_info *args_info);
97
98		static int
99	<	cmdline_parser_internal (int argc, char * const *argv, struct gengetopt_args_info *args_info,
99	>	cmdline_parser_internal (int argc, char **argv, struct gengetopt_args_info *args_info,
100		struct cmdline_parser_params *params, const char *additional_error);
101
102		static int
#	Line 102 | Line 116 | void clear_given (struct gengetopt_args_info *args_inf
116		args_info->nbins_given = 0 ;
117		args_info->nbins_x_given = 0 ;
118		args_info->nbins_y_given = 0 ;
119	+	args_info->nbins_z_given = 0 ;
120		args_info->nanglebins_given = 0 ;
106	–	args_info->length_given = 0 ;
121		args_info->rcut_given = 0 ;
122	+	args_info->dz_given = 0 ;
123	+	args_info->length_given = 0 ;
124	+	args_info->zlength_given = 0 ;
125		args_info->zoffset_given = 0 ;
126		args_info->sele1_given = 0 ;
127		args_info->sele2_given = 0 ;
#	Line 118 | Line 135 | void clear_given (struct gengetopt_args_info *args_inf
135		args_info->bo_given = 0 ;
136		args_info->bor_given = 0 ;
137		args_info->bad_given = 0 ;
138	+	args_info->count_given = 0 ;
139		args_info->gofr_given = 0 ;
140		args_info->gofz_given = 0 ;
141		args_info->r_theta_given = 0 ;
142		args_info->r_omega_given = 0 ;
143	+	args_info->r_z_given = 0 ;
144		args_info->theta_omega_given = 0 ;
145		args_info->gxyz_given = 0 ;
146	+	args_info->twodgofr_given = 0 ;
147		args_info->p2_given = 0 ;
148		args_info->rp2_given = 0 ;
149		args_info->scd_given = 0 ;
150		args_info->density_given = 0 ;
151		args_info->slab_density_given = 0 ;
152	+	args_info->p_angle_given = 0 ;
153		args_info->hxy_given = 0 ;
154		args_info->rho_r_given = 0 ;
155	+	args_info->angle_r_given = 0 ;
156		args_info->hullvol_given = 0 ;
157	+	args_info->rodlength_given = 0 ;
158	+	args_info->tet_param_given = 0 ;
159		args_info->staticProps_group_counter = 0 ;
160		}
161
162		static
163		void clear_args (struct gengetopt_args_info *args_info)
164		{
165	+	FIX_UNUSED (args_info);
166		args_info->input_arg = NULL;
167		args_info->input_orig = NULL;
168		args_info->output_arg = NULL;
#	Line 150 | Line 175 | void clear_args (struct gengetopt_args_info *args_info
175		args_info->nbins_x_orig = NULL;
176		args_info->nbins_y_arg = 100;
177		args_info->nbins_y_orig = NULL;
178	+	args_info->nbins_z_arg = 100;
179	+	args_info->nbins_z_orig = NULL;
180		args_info->nanglebins_arg = 50;
181		args_info->nanglebins_orig = NULL;
155	–	args_info->length_orig = NULL;
182		args_info->rcut_orig = NULL;
183	+	args_info->dz_orig = NULL;
184	+	args_info->length_orig = NULL;
185	+	args_info->zlength_orig = NULL;
186		args_info->zoffset_arg = 0;
187		args_info->zoffset_orig = NULL;
188		args_info->sele1_arg = NULL;
#	Line 187 | Line 216 | void init_args_info(struct gengetopt_args_info *args_i
216		args_info->nbins_help = gengetopt_args_info_help[5] ;
217		args_info->nbins_x_help = gengetopt_args_info_help[6] ;
218		args_info->nbins_y_help = gengetopt_args_info_help[7] ;
219	<	args_info->nanglebins_help = gengetopt_args_info_help[8] ;
220	<	args_info->length_help = gengetopt_args_info_help[9] ;
219	>	args_info->nbins_z_help = gengetopt_args_info_help[8] ;
220	>	args_info->nanglebins_help = gengetopt_args_info_help[9] ;
221		args_info->rcut_help = gengetopt_args_info_help[10] ;
222	<	args_info->zoffset_help = gengetopt_args_info_help[11] ;
223	<	args_info->sele1_help = gengetopt_args_info_help[12] ;
224	<	args_info->sele2_help = gengetopt_args_info_help[13] ;
225	<	args_info->sele3_help = gengetopt_args_info_help[14] ;
226	<	args_info->refsele_help = gengetopt_args_info_help[15] ;
227	<	args_info->comsele_help = gengetopt_args_info_help[16] ;
228	<	args_info->molname_help = gengetopt_args_info_help[17] ;
229	<	args_info->begin_help = gengetopt_args_info_help[18] ;
230	<	args_info->end_help = gengetopt_args_info_help[19] ;
231	<	args_info->radius_help = gengetopt_args_info_help[20] ;
232	<	args_info->bo_help = gengetopt_args_info_help[22] ;
233	<	args_info->bor_help = gengetopt_args_info_help[23] ;
234	<	args_info->bad_help = gengetopt_args_info_help[24] ;
235	<	args_info->gofr_help = gengetopt_args_info_help[25] ;
236	<	args_info->gofz_help = gengetopt_args_info_help[26] ;
237	<	args_info->r_theta_help = gengetopt_args_info_help[27] ;
238	<	args_info->r_omega_help = gengetopt_args_info_help[28] ;
239	<	args_info->theta_omega_help = gengetopt_args_info_help[29] ;
240	<	args_info->gxyz_help = gengetopt_args_info_help[30] ;
241	<	args_info->p2_help = gengetopt_args_info_help[31] ;
242	<	args_info->rp2_help = gengetopt_args_info_help[32] ;
243	<	args_info->scd_help = gengetopt_args_info_help[33] ;
244	<	args_info->density_help = gengetopt_args_info_help[34] ;
245	<	args_info->slab_density_help = gengetopt_args_info_help[35] ;
246	<	args_info->hxy_help = gengetopt_args_info_help[36] ;
247	<	args_info->rho_r_help = gengetopt_args_info_help[37] ;
248	<	args_info->hullvol_help = gengetopt_args_info_help[38] ;
222	>	args_info->dz_help = gengetopt_args_info_help[11] ;
223	>	args_info->length_help = gengetopt_args_info_help[12] ;
224	>	args_info->zlength_help = gengetopt_args_info_help[13] ;
225	>	args_info->zoffset_help = gengetopt_args_info_help[14] ;
226	>	args_info->sele1_help = gengetopt_args_info_help[15] ;
227	>	args_info->sele2_help = gengetopt_args_info_help[16] ;
228	>	args_info->sele3_help = gengetopt_args_info_help[17] ;
229	>	args_info->refsele_help = gengetopt_args_info_help[18] ;
230	>	args_info->comsele_help = gengetopt_args_info_help[19] ;
231	>	args_info->molname_help = gengetopt_args_info_help[20] ;
232	>	args_info->begin_help = gengetopt_args_info_help[21] ;
233	>	args_info->end_help = gengetopt_args_info_help[22] ;
234	>	args_info->radius_help = gengetopt_args_info_help[23] ;
235	>	args_info->bo_help = gengetopt_args_info_help[25] ;
236	>	args_info->bor_help = gengetopt_args_info_help[26] ;
237	>	args_info->bad_help = gengetopt_args_info_help[27] ;
238	>	args_info->count_help = gengetopt_args_info_help[28] ;
239	>	args_info->gofr_help = gengetopt_args_info_help[29] ;
240	>	args_info->gofz_help = gengetopt_args_info_help[30] ;
241	>	args_info->r_theta_help = gengetopt_args_info_help[31] ;
242	>	args_info->r_omega_help = gengetopt_args_info_help[32] ;
243	>	args_info->r_z_help = gengetopt_args_info_help[33] ;
244	>	args_info->theta_omega_help = gengetopt_args_info_help[34] ;
245	>	args_info->gxyz_help = gengetopt_args_info_help[35] ;
246	>	args_info->twodgofr_help = gengetopt_args_info_help[36] ;
247	>	args_info->p2_help = gengetopt_args_info_help[37] ;
248	>	args_info->rp2_help = gengetopt_args_info_help[38] ;
249	>	args_info->scd_help = gengetopt_args_info_help[39] ;
250	>	args_info->density_help = gengetopt_args_info_help[40] ;
251	>	args_info->slab_density_help = gengetopt_args_info_help[41] ;
252	>	args_info->p_angle_help = gengetopt_args_info_help[42] ;
253	>	args_info->hxy_help = gengetopt_args_info_help[43] ;
254	>	args_info->rho_r_help = gengetopt_args_info_help[44] ;
255	>	args_info->angle_r_help = gengetopt_args_info_help[45] ;
256	>	args_info->hullvol_help = gengetopt_args_info_help[46] ;
257	>	args_info->rodlength_help = gengetopt_args_info_help[47] ;
258	>	args_info->tet_param_help = gengetopt_args_info_help[48] ;
259
260		}
261
262		void
263		cmdline_parser_print_version (void)
264		{
265	<	printf ("%s %s\n", CMDLINE_PARSER_PACKAGE, CMDLINE_PARSER_VERSION);
265	>	printf ("%s %s\n",
266	>	(strlen(CMDLINE_PARSER_PACKAGE_NAME) ? CMDLINE_PARSER_PACKAGE_NAME : CMDLINE_PARSER_PACKAGE),
267	>	CMDLINE_PARSER_VERSION);
268		}
269
270		static void print_help_common(void) {
#	Line 238 | Line 279 | static void print_help_common(void) {
279		printf("\n");
280
281		if (strlen(gengetopt_args_info_description) > 0)
282	<	printf("%s\n", gengetopt_args_info_description);
282	>	printf("%s\n\n", gengetopt_args_info_description);
283		}
284
285		void
#	Line 256 | Line 297 | cmdline_parser_init (struct gengetopt_args_info *args_
297		clear_given (args_info);
298		clear_args (args_info);
299		init_args_info (args_info);
300	+
301	+	args_info->inputs = 0;
302	+	args_info->inputs_num = 0;
303		}
304
305		void
#	Line 294 | Line 338 | cmdline_parser_release (struct gengetopt_args_info *ar
338		static void
339		cmdline_parser_release (struct gengetopt_args_info *args_info)
340		{
341	<
341	>	unsigned int i;
342		free_string_field (&(args_info->input_arg));
343		free_string_field (&(args_info->input_orig));
344		free_string_field (&(args_info->output_arg));
#	Line 303 | Line 347 | cmdline_parser_release (struct gengetopt_args_info *ar
347		free_string_field (&(args_info->nbins_orig));
348		free_string_field (&(args_info->nbins_x_orig));
349		free_string_field (&(args_info->nbins_y_orig));
350	+	free_string_field (&(args_info->nbins_z_orig));
351		free_string_field (&(args_info->nanglebins_orig));
307	–	free_string_field (&(args_info->length_orig));
352		free_string_field (&(args_info->rcut_orig));
353	+	free_string_field (&(args_info->dz_orig));
354	+	free_string_field (&(args_info->length_orig));
355	+	free_string_field (&(args_info->zlength_orig));
356		free_string_field (&(args_info->zoffset_orig));
357		free_string_field (&(args_info->sele1_arg));
358		free_string_field (&(args_info->sele1_orig));
#	Line 324 | Line 371 | cmdline_parser_release (struct gengetopt_args_info *ar
371		free_string_field (&(args_info->radius_orig));
372
373
374	+	for (i = 0; i < args_info->inputs_num; ++i)
375	+	free (args_info->inputs [i]);
376
377	+	if (args_info->inputs_num)
378	+	free (args_info->inputs);
379	+
380		clear_given (args_info);
381		}
382
383
384		static void
385	<	write_into_file(FILE *outfile, const char *opt, const char *arg, char *values[])
385	>	write_into_file(FILE *outfile, const char *opt, const char *arg, const char *values[])
386		{
387	+	FIX_UNUSED (values);
388		if (arg) {
389		fprintf(outfile, "%s=\"%s\"\n", opt, arg);
390		} else {
#	Line 367 | Line 420 | cmdline_parser_dump(FILE *outfile, struct gengetopt_ar
420		write_into_file(outfile, "nbins_x", args_info->nbins_x_orig, 0);
421		if (args_info->nbins_y_given)
422		write_into_file(outfile, "nbins_y", args_info->nbins_y_orig, 0);
423	+	if (args_info->nbins_z_given)
424	+	write_into_file(outfile, "nbins_z", args_info->nbins_z_orig, 0);
425		if (args_info->nanglebins_given)
426		write_into_file(outfile, "nanglebins", args_info->nanglebins_orig, 0);
372	–	if (args_info->length_given)
373	–	write_into_file(outfile, "length", args_info->length_orig, 0);
427		if (args_info->rcut_given)
428		write_into_file(outfile, "rcut", args_info->rcut_orig, 0);
429	+	if (args_info->dz_given)
430	+	write_into_file(outfile, "dz", args_info->dz_orig, 0);
431	+	if (args_info->length_given)
432	+	write_into_file(outfile, "length", args_info->length_orig, 0);
433	+	if (args_info->zlength_given)
434	+	write_into_file(outfile, "zlength", args_info->zlength_orig, 0);
435		if (args_info->zoffset_given)
436		write_into_file(outfile, "zoffset", args_info->zoffset_orig, 0);
437		if (args_info->sele1_given)
#	Line 399 | Line 458 | cmdline_parser_dump(FILE *outfile, struct gengetopt_ar
458		write_into_file(outfile, "bor", 0, 0 );
459		if (args_info->bad_given)
460		write_into_file(outfile, "bad", 0, 0 );
461	+	if (args_info->count_given)
462	+	write_into_file(outfile, "count", 0, 0 );
463		if (args_info->gofr_given)
464		write_into_file(outfile, "gofr", 0, 0 );
465		if (args_info->gofz_given)
#	Line 407 | Line 468 | cmdline_parser_dump(FILE *outfile, struct gengetopt_ar
468		write_into_file(outfile, "r_theta", 0, 0 );
469		if (args_info->r_omega_given)
470		write_into_file(outfile, "r_omega", 0, 0 );
471	+	if (args_info->r_z_given)
472	+	write_into_file(outfile, "r_z", 0, 0 );
473		if (args_info->theta_omega_given)
474		write_into_file(outfile, "theta_omega", 0, 0 );
475		if (args_info->gxyz_given)
476		write_into_file(outfile, "gxyz", 0, 0 );
477	+	if (args_info->twodgofr_given)
478	+	write_into_file(outfile, "twodgofr", 0, 0 );
479		if (args_info->p2_given)
480		write_into_file(outfile, "p2", 0, 0 );
481		if (args_info->rp2_given)
#	Line 421 | Line 486 | cmdline_parser_dump(FILE *outfile, struct gengetopt_ar
486		write_into_file(outfile, "density", 0, 0 );
487		if (args_info->slab_density_given)
488		write_into_file(outfile, "slab_density", 0, 0 );
489	+	if (args_info->p_angle_given)
490	+	write_into_file(outfile, "p_angle", 0, 0 );
491		if (args_info->hxy_given)
492		write_into_file(outfile, "hxy", 0, 0 );
493		if (args_info->rho_r_given)
494		write_into_file(outfile, "rho_r", 0, 0 );
495	+	if (args_info->angle_r_given)
496	+	write_into_file(outfile, "angle_r", 0, 0 );
497		if (args_info->hullvol_given)
498		write_into_file(outfile, "hullvol", 0, 0 );
499	+	if (args_info->rodlength_given)
500	+	write_into_file(outfile, "rodlength", 0, 0 );
501	+	if (args_info->tet_param_given)
502	+	write_into_file(outfile, "tet_param", 0, 0 );
503
504
505		i = EXIT_SUCCESS;
#	Line 463 | Line 536 | gengetopt_strdup (const char *s)
536		char *
537		gengetopt_strdup (const char *s)
538		{
539	<	char *result = NULL;
539	>	char *result = 0;
540		if (!s)
541		return result;
542
#	Line 483 | Line 556 | reset_group_staticProps(struct gengetopt_args_info *ar
556		args_info->bo_given = 0 ;
557		args_info->bor_given = 0 ;
558		args_info->bad_given = 0 ;
559	+	args_info->count_given = 0 ;
560		args_info->gofr_given = 0 ;
561		args_info->gofz_given = 0 ;
562		args_info->r_theta_given = 0 ;
563		args_info->r_omega_given = 0 ;
564	+	args_info->r_z_given = 0 ;
565		args_info->theta_omega_given = 0 ;
566		args_info->gxyz_given = 0 ;
567	+	args_info->twodgofr_given = 0 ;
568		args_info->p2_given = 0 ;
569		args_info->rp2_given = 0 ;
570		args_info->scd_given = 0 ;
571		args_info->density_given = 0 ;
572		args_info->slab_density_given = 0 ;
573	+	args_info->p_angle_given = 0 ;
574		args_info->hxy_given = 0 ;
575		args_info->rho_r_given = 0 ;
576	+	args_info->angle_r_given = 0 ;
577		args_info->hullvol_given = 0 ;
578	+	args_info->rodlength_given = 0 ;
579	+	args_info->tet_param_given = 0 ;
580
581		args_info->staticProps_group_counter = 0;
582		}
583
584		int
585	<	cmdline_parser (int argc, char * const *argv, struct gengetopt_args_info *args_info)
585	>	cmdline_parser (int argc, char **argv, struct gengetopt_args_info *args_info)
586		{
587		return cmdline_parser2 (argc, argv, args_info, 0, 1, 1);
588		}
589
590		int
591	<	cmdline_parser_ext (int argc, char * const *argv, struct gengetopt_args_info *args_info,
591	>	cmdline_parser_ext (int argc, char **argv, struct gengetopt_args_info *args_info,
592		struct cmdline_parser_params *params)
593		{
594		int result;
595	<	result = cmdline_parser_internal (argc, argv, args_info, params, NULL);
595	>	result = cmdline_parser_internal (argc, argv, args_info, params, 0);
596
597		if (result == EXIT_FAILURE)
598		{
#	Line 524 | Line 604 | int
604		}
605
606		int
607	<	cmdline_parser2 (int argc, char * const *argv, struct gengetopt_args_info *args_info, int override, int initialize, int check_required)
607	>	cmdline_parser2 (int argc, char **argv, struct gengetopt_args_info *args_info, int override, int initialize, int check_required)
608		{
609		int result;
610		struct cmdline_parser_params params;
#	Line 535 | Line 615 | cmdline_parser2 (int argc, char * const *argv, struct
615		params.check_ambiguity = 0;
616		params.print_errors = 1;
617
618	<	result = cmdline_parser_internal (argc, argv, args_info, &params, NULL);
618	>	result = cmdline_parser_internal (argc, argv, args_info, &params, 0);
619
620		if (result == EXIT_FAILURE)
621		{
#	Line 551 | Line 631 | cmdline_parser_required (struct gengetopt_args_info *a
631		{
632		int result = EXIT_SUCCESS;
633
634	<	if (cmdline_parser_required2(args_info, prog_name, NULL) > 0)
634	>	if (cmdline_parser_required2(args_info, prog_name, 0) > 0)
635		result = EXIT_FAILURE;
636
637		if (result == EXIT_FAILURE)
#	Line 567 | Line 647 | cmdline_parser_required2 (struct gengetopt_args_info *
647		cmdline_parser_required2 (struct gengetopt_args_info *args_info, const char *prog_name, const char *additional_error)
648		{
649		int error = 0;
650	+	FIX_UNUSED (additional_error);
651
652		/* checks for required options */
653		if (! args_info->input_given)
#	Line 577 | Line 658 | cmdline_parser_required2 (struct gengetopt_args_info *
658
659		if (args_info->staticProps_group_counter == 0)
660		{
661	<	fprintf (stderr, "%s: %d options of group staticProps were given. One is required.%s\n", prog_name, args_info->staticProps_group_counter, (additional_error ? additional_error : ""));
661	>	fprintf (stderr, "%s: %d options of group staticProps were given. One is required%s.\n", prog_name, args_info->staticProps_group_counter, (additional_error ? additional_error : ""));
662		error = 1;
663		}
664
#	Line 611 | Line 692 | int update_arg(void *field, char **orig_field,
692		static
693		int update_arg(void *field, char **orig_field,
694		unsigned int *field_given, unsigned int *prev_given,
695	<	char *value, char *possible_values[], const char *default_value,
695	>	char *value, const char *possible_values[],
696	>	const char *default_value,
697		cmdline_parser_arg_type arg_type,
698		int check_ambiguity, int override,
699		int no_free, int multiple_option,
#	Line 622 | Line 704 | int update_arg(void *field, char **orig_field,
704		const char *val = value;
705		int found;
706		char **string_field;
707	+	FIX_UNUSED (field);
708
709		stop_char = 0;
710		found = 0;
#	Line 639 | Line 722 | int update_arg(void *field, char **orig_field,
722		return 1; /* failure */
723		}
724
725	+	FIX_UNUSED (default_value);
726
727		if (field_given && *field_given && ! override)
728		return 0;
#	Line 702 | Line 786 | int
786
787
788		int
789	<	cmdline_parser_internal (int argc, char * const *argv, struct gengetopt_args_info *args_info,
789	>	cmdline_parser_internal (
790	>	int argc, char **argv, struct gengetopt_args_info *args_info,
791		struct cmdline_parser_params *params, const char *additional_error)
792		{
793		int c;        /* Character of the parsed option.  */
#	Line 745 | Line 830 | cmdline_parser_internal (int argc, char * const *argv,
830		{ "nbins",      1, NULL, 'b' },
831		{ "nbins_x",    1, NULL, 'x' },
832		{ "nbins_y",    1, NULL, 'y' },
833	+	{ "nbins_z",    1, NULL, 0 },
834		{ "nanglebins", 1, NULL, 'a' },
749	–	{ "length",     1, NULL, 0 },
835		{ "rcut",       1, NULL, 'c' },
836	+	{ "dz", 1, NULL, 0 },
837	+	{ "length",     1, NULL, 0 },
838	+	{ "zlength",    1, NULL, 0 },
839		{ "zoffset",    1, NULL, 'z' },
840		{ "sele1",      1, NULL, 0 },
841		{ "sele2",      1, NULL, 0 },
#	Line 761 | Line 849 | cmdline_parser_internal (int argc, char * const *argv,
849		{ "bo", 0, NULL, 0 },
850		{ "bor",        0, NULL, 0 },
851		{ "bad",        0, NULL, 0 },
852	+	{ "count",      0, NULL, 0 },
853		{ "gofr",       0, NULL, 'g' },
854		{ "gofz",       0, NULL, 0 },
855		{ "r_theta",    0, NULL, 0 },
856		{ "r_omega",    0, NULL, 0 },
857	+	{ "r_z",        0, NULL, 0 },
858		{ "theta_omega",        0, NULL, 0 },
859		{ "gxyz",       0, NULL, 0 },
860	+	{ "twodgofr",   0, NULL, 0 },
861		{ "p2", 0, NULL, 'p' },
862		{ "rp2",        0, NULL, 0 },
863		{ "scd",        0, NULL, 's' },
864		{ "density",    0, NULL, 'd' },
865		{ "slab_density",       0, NULL, 0 },
866	+	{ "p_angle",    0, NULL, 0 },
867		{ "hxy",        0, NULL, 0 },
868		{ "rho_r",      0, NULL, 0 },
869	+	{ "angle_r",    0, NULL, 0 },
870		{ "hullvol",    0, NULL, 0 },
871	<	{ NULL, 0, NULL, 0 }
871	>	{ "rodlength",  0, NULL, 0 },
872	>	{ "tet_param",  0, NULL, 'Q' },
873	>	{ 0,  0, 0, 0 }
874		};
875
876	<	c = getopt_long (argc, argv, "hVi:o:n:b:x:y:a:c:z:gpsd", long_options, &option_index);
876	>	c = getopt_long (argc, argv, "hVi:o:n:b:x:y:a:c:z:gpsdQ", long_options, &option_index);
877
878		if (c == -1) break;       /* Exit from `while (1)' loop.  */
879
#	Line 917 | Line 1012 | cmdline_parser_internal (int argc, char * const *argv,
1012		goto failure;
1013
1014		break;
1015	<	case 'p':       /* p2 order parameter (--sele1 and --sele2 must be specified).  */
1015	>	case 'p':       /* p2 order parameter (--sele1 must be specified, --sele2 is optional).  */
1016
1017		if (args_info->staticProps_group_counter && override)
1018		reset_group_staticProps (args_info);
#	Line 962 | Line 1057 | cmdline_parser_internal (int argc, char * const *argv,
1057		goto failure;
1058
1059		break;
1060	+	case 'Q':       /* tetrahedrality order parameter.  */
1061	+
1062	+	if (args_info->staticProps_group_counter && override)
1063	+	reset_group_staticProps (args_info);
1064	+	args_info->staticProps_group_counter += 1;
1065	+
1066	+	if (update_arg( 0 ,
1067	+	0 , &(args_info->tet_param_given),
1068	+	&(local_args_info.tet_param_given), optarg, 0, 0, ARG_NO,
1069	+	check_ambiguity, override, 0, 0,
1070	+	"tet_param", 'Q',
1071	+	additional_error))
1072	+	goto failure;
1073	+
1074	+	break;
1075
1076		case 0: /* Long option with no short option */
1077	+	/* number of bins in z axis.  */
1078	+	if (strcmp (long_options[option_index].name, "nbins_z") == 0)
1079	+	{
1080	+
1081	+
1082	+	if (update_arg( (void *)&(args_info->nbins_z_arg),
1083	+	&(args_info->nbins_z_orig), &(args_info->nbins_z_given),
1084	+	&(local_args_info.nbins_z_given), optarg, 0, "100", ARG_INT,
1085	+	check_ambiguity, override, 0, 0,
1086	+	"nbins_z", '-',
1087	+	additional_error))
1088	+	goto failure;
1089	+
1090	+	}
1091	+	/* slab width (dz).  */
1092	+	else if (strcmp (long_options[option_index].name, "dz") == 0)
1093	+	{
1094	+
1095	+
1096	+	if (update_arg( (void *)&(args_info->dz_arg),
1097	+	&(args_info->dz_orig), &(args_info->dz_given),
1098	+	&(local_args_info.dz_given), optarg, 0, 0, ARG_DOUBLE,
1099	+	check_ambiguity, override, 0, 0,
1100	+	"dz", '-',
1101	+	additional_error))
1102	+	goto failure;
1103	+
1104	+	}
1105		/* maximum length (Defaults to 1/2 smallest length of first frame).  */
1106	<	if (strcmp (long_options[option_index].name, "length") == 0)
1106	>	else if (strcmp (long_options[option_index].name, "length") == 0)
1107		{
1108
1109
#	Line 978 | Line 1116 | cmdline_parser_internal (int argc, char * const *argv,
1116		goto failure;
1117
1118		}
1119	+	/* maximum length (Defaults to 1/2 smallest length of first frame).  */
1120	+	else if (strcmp (long_options[option_index].name, "zlength") == 0)
1121	+	{
1122	+
1123	+
1124	+	if (update_arg( (void *)&(args_info->zlength_arg),
1125	+	&(args_info->zlength_orig), &(args_info->zlength_given),
1126	+	&(local_args_info.zlength_given), optarg, 0, 0, ARG_DOUBLE,
1127	+	check_ambiguity, override, 0, 0,
1128	+	"zlength", '-',
1129	+	additional_error))
1130	+	goto failure;
1131	+
1132	+	}
1133		/* select the first stuntdouble set.  */
1134		else if (strcmp (long_options[option_index].name, "sele1") == 0)
1135		{
#	Line 1155 | Line 1307 | cmdline_parser_internal (int argc, char * const *argv,
1307		goto failure;
1308
1309		}
1310	+	/* count of molecules matching selection criteria (and associated statistics).  */
1311	+	else if (strcmp (long_options[option_index].name, "count") == 0)
1312	+	{
1313	+
1314	+	if (args_info->staticProps_group_counter && override)
1315	+	reset_group_staticProps (args_info);
1316	+	args_info->staticProps_group_counter += 1;
1317	+
1318	+	if (update_arg( 0 ,
1319	+	0 , &(args_info->count_given),
1320	+	&(local_args_info.count_given), optarg, 0, 0, ARG_NO,
1321	+	check_ambiguity, override, 0, 0,
1322	+	"count", '-',
1323	+	additional_error))
1324	+	goto failure;
1325	+
1326	+	}
1327		/* g(z).  */
1328		else if (strcmp (long_options[option_index].name, "gofz") == 0)
1329		{
#	Line 1202 | Line 1371 | cmdline_parser_internal (int argc, char * const *argv,
1371		&(local_args_info.r_omega_given), optarg, 0, 0, ARG_NO,
1372		check_ambiguity, override, 0, 0,
1373		"r_omega", '-',
1374	+	additional_error))
1375	+	goto failure;
1376	+
1377	+	}
1378	+	/* g(r, z).  */
1379	+	else if (strcmp (long_options[option_index].name, "r_z") == 0)
1380	+	{
1381	+
1382	+	if (args_info->staticProps_group_counter && override)
1383	+	reset_group_staticProps (args_info);
1384	+	args_info->staticProps_group_counter += 1;
1385	+
1386	+	if (update_arg( 0 ,
1387	+	0 , &(args_info->r_z_given),
1388	+	&(local_args_info.r_z_given), optarg, 0, 0, ARG_NO,
1389	+	check_ambiguity, override, 0, 0,
1390	+	"r_z", '-',
1391		additional_error))
1392		goto failure;
1393
#	Line 1240 | Line 1426 | cmdline_parser_internal (int argc, char * const *argv,
1426		goto failure;
1427
1428		}
1429	+	/* 2D g(r) (Slab width --dz must be specified).  */
1430	+	else if (strcmp (long_options[option_index].name, "twodgofr") == 0)
1431	+	{
1432	+
1433	+	if (args_info->staticProps_group_counter && override)
1434	+	reset_group_staticProps (args_info);
1435	+	args_info->staticProps_group_counter += 1;
1436	+
1437	+	if (update_arg( 0 ,
1438	+	0 , &(args_info->twodgofr_given),
1439	+	&(local_args_info.twodgofr_given), optarg, 0, 0, ARG_NO,
1440	+	check_ambiguity, override, 0, 0,
1441	+	"twodgofr", '-',
1442	+	additional_error))
1443	+	goto failure;
1444	+
1445	+	}
1446		/* rp2 order parameter (--sele1 and --sele2 must be specified).  */
1447		else if (strcmp (long_options[option_index].name, "rp2") == 0)
1448		{
#	Line 1274 | Line 1477 | cmdline_parser_internal (int argc, char * const *argv,
1477		goto failure;
1478
1479		}
1480	+	/* p(cos(theta)).  */
1481	+	else if (strcmp (long_options[option_index].name, "p_angle") == 0)
1482	+	{
1483	+
1484	+	if (args_info->staticProps_group_counter && override)
1485	+	reset_group_staticProps (args_info);
1486	+	args_info->staticProps_group_counter += 1;
1487	+
1488	+	if (update_arg( 0 ,
1489	+	0 , &(args_info->p_angle_given),
1490	+	&(local_args_info.p_angle_given), optarg, 0, 0, ARG_NO,
1491	+	check_ambiguity, override, 0, 0,
1492	+	"p_angle", '-',
1493	+	additional_error))
1494	+	goto failure;
1495	+
1496	+	}
1497		/* hxy.  */
1498		else if (strcmp (long_options[option_index].name, "hxy") == 0)
1499		{
#	Line 1308 | Line 1528 | cmdline_parser_internal (int argc, char * const *argv,
1528		goto failure;
1529
1530		}
1531	+	/* angle of R.  */
1532	+	else if (strcmp (long_options[option_index].name, "angle_r") == 0)
1533	+	{
1534	+
1535	+	if (args_info->staticProps_group_counter && override)
1536	+	reset_group_staticProps (args_info);
1537	+	args_info->staticProps_group_counter += 1;
1538	+
1539	+	if (update_arg( 0 ,
1540	+	0 , &(args_info->angle_r_given),
1541	+	&(local_args_info.angle_r_given), optarg, 0, 0, ARG_NO,
1542	+	check_ambiguity, override, 0, 0,
1543	+	"angle_r", '-',
1544	+	additional_error))
1545	+	goto failure;
1546	+
1547	+	}
1548		/* hull volume of nanoparticle.  */
1549		else if (strcmp (long_options[option_index].name, "hullvol") == 0)
1550		{
#	Line 1325 | Line 1562 | cmdline_parser_internal (int argc, char * const *argv,
1562		goto failure;
1563
1564		}
1565	+	/* length of nanorod.  */
1566	+	else if (strcmp (long_options[option_index].name, "rodlength") == 0)
1567	+	{
1568
1569	+	if (args_info->staticProps_group_counter && override)
1570	+	reset_group_staticProps (args_info);
1571	+	args_info->staticProps_group_counter += 1;
1572	+
1573	+	if (update_arg( 0 ,
1574	+	0 , &(args_info->rodlength_given),
1575	+	&(local_args_info.rodlength_given), optarg, 0, 0, ARG_NO,
1576	+	check_ambiguity, override, 0, 0,
1577	+	"rodlength", '-',
1578	+	additional_error))
1579	+	goto failure;
1580	+
1581	+	}
1582	+
1583		break;
1584		case '?':       /* Invalid option.  */
1585		/* `getopt_long' already printed an error message.  */
#	Line 1339 | Line 1593 | cmdline_parser_internal (int argc, char * const *argv,
1593
1594		if (args_info->staticProps_group_counter > 1)
1595		{
1596	<	fprintf (stderr, "%s: %d options of group staticProps were given. One is required.%s\n", argv[0], args_info->staticProps_group_counter, (additional_error ? additional_error : ""));
1596	>	fprintf (stderr, "%s: %d options of group staticProps were given. One is required%s.\n", argv[0], args_info->staticProps_group_counter, (additional_error ? additional_error : ""));
1597		error = 1;
1598		}
1599
#	Line 1355 | Line 1609 | cmdline_parser_internal (int argc, char * const *argv,
1609		if ( error )
1610		return (EXIT_FAILURE);
1611
1612	+	if (optind < argc)
1613	+	{
1614	+	int i = 0 ;
1615	+	int found_prog_name = 0;
1616	+	/* whether program name, i.e., argv[0], is in the remaining args
1617	+	(this may happen with some implementations of getopt,
1618	+	but surely not with the one included by gengetopt) */
1619	+
1620	+	i = optind;
1621	+	while (i < argc)
1622	+	if (argv[i++] == argv[0]) {
1623	+	found_prog_name = 1;
1624	+	break;
1625	+	}
1626	+	i = 0;
1627	+
1628	+	args_info->inputs_num = argc - optind - found_prog_name;
1629	+	args_info->inputs =
1630	+	(char **)(malloc ((args_info->inputs_num)*sizeof(char *))) ;
1631	+	while (optind < argc)
1632	+	if (argv[optind++] != argv[0])
1633	+	args_info->inputs[ i++ ] = gengetopt_strdup (argv[optind-1]) ;
1634	+	}
1635	+
1636		return 0;
1637
1638		failure:

Comparing:
trunk/src/applications/staticProps/StaticPropsCmd.c (property svn:keywords), Revision 1390 by gezelter, Wed Nov 25 20:02:06 2009 UTC vs.
branches/development/src/applications/staticProps/StaticPropsCmd.c (property svn:keywords), Revision 1629 by gezelter, Wed Sep 14 21:15:17 2011 UTC

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

Diff Legend

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