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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 1795 by gezelter, Fri Sep 7 18:13:55 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	+	#ifdef WIN32
25	+	#include "utils/wingetopt.h"
26	+	#else
27	+	#include <getopt.h>
28	+	#endif
29	+
30		#include "StaticPropsCmd.h"
31
32		const char *gengetopt_args_info_purpose = "";
33
34	<	const char *gengetopt_args_info_usage = "Usage: StaticProps [OPTIONS]...";
34	>	const char *gengetopt_args_info_usage = "Usage: StaticProps [OPTIONS]... [FILES]...";
35
36		const char *gengetopt_args_info_description = "";
37
#	Line 36 | Line 44 | const char *gengetopt_args_info_help[] = {
44		"  -b, --nbins=INT               number of bins (general purpose)  \n                                  (default=`100')",
45		"  -x, --nbins_x=INT             number of bins in x axis  (default=`100')",
46		"  -y, --nbins_y=INT             number of bins in y axis  (default=`100')",
47	+	"      --nbins_z=INT             number of bins in z axis  (default=`100')",
48		"  -a, --nanglebins=INT          number of bins for cos(angle)  (default=`50')",
40	–	"      --length=DOUBLE           maximum length (Defaults to 1/2 smallest length \n                                  of first frame)",
49		"  -c, --rcut=DOUBLE             cutoff radius (rcut)",
50	+	"      --dz=DOUBLE               slab width (dz)",
51	+	"      --length=DOUBLE           maximum length (Defaults to 1/2 smallest length \n                                  of first frame)",
52	+	"      --zlength=DOUBLE          maximum length (Defaults to 1/2 smallest length \n                                  of first frame)",
53		"  -z, --zoffset=DOUBLE          Where to set the zero for the slab_density \n                                  calculation  (default=`0')",
54		"      --sele1=selection script  select the first stuntdouble set",
55		"      --sele2=selection script  select the second stuntdouble set",
#	Line 53 | Line 64 | const char *gengetopt_args_info_help[] = {
64		"      --bo                      bond order parameter (--rcut must be specified)",
65		"      --bor                     bond order parameter as a function of radius \n                                  (--rcut must be specified)",
66		"      --bad                     N(theta) bond angle density within (--rcut must \n                                  be specified)",
67	+	"      --count                   count of molecules matching selection criteria \n                                  (and associated statistics)",
68		"  -g, --gofr                    g(r)",
69		"      --gofz                    g(z)",
70		"      --r_theta                 g(r, cos(theta))",
71		"      --r_omega                 g(r, cos(omega))",
72	+	"      --r_z                     g(r, z)",
73		"      --theta_omega             g(cos(theta), cos(omega))",
74		"      --gxyz                    g(x, y, z)",
75	<	"  -p, --p2                      p2 order parameter (--sele1 and --sele2 must be \n                                  specified)",
75	>	"      --twodgofr                2D g(r) (Slab width --dz must be specified)",
76	>	"  -p, --p2                      p2 order parameter (--sele1 must be specified, \n                                  --sele2 is optional)",
77		"      --rp2                     rp2 order parameter (--sele1 and --sele2 must \n                                  be specified)",
78		"  -s, --scd                     scd order parameter (either --sele1, --sele2, \n                                  --sele3 are specified or --molname, --begin, \n                                  --end are specified)",
79		"  -d, --density                 density plot",
80		"      --slab_density            slab density",
81	+	"      --p_angle                 p(cos(theta))",
82		"      --hxy                     hxy",
83		"      --rho_r                   rho of R",
84	+	"      --angle_r                 angle of R",
85		"      --hullvol                 hull volume of nanoparticle",
86	+	"      --rodlength               length of nanorod",
87	+	"  -Q, --tet_param               tetrahedrality order parameter",
88	+	"      --tet_param_z             tetrahedrality order parameter by zbin(--sele1 \n                                  must be specified)",
89		0
90		};
91
#	Line 82 | Line 101 | static int
101		void clear_args (struct gengetopt_args_info *args_info);
102
103		static int
104	<	cmdline_parser_internal (int argc, char * const *argv, struct gengetopt_args_info *args_info,
104	>	cmdline_parser_internal (int argc, char **argv, struct gengetopt_args_info *args_info,
105		struct cmdline_parser_params *params, const char *additional_error);
106
107		static int
#	Line 102 | Line 121 | void clear_given (struct gengetopt_args_info *args_inf
121		args_info->nbins_given = 0 ;
122		args_info->nbins_x_given = 0 ;
123		args_info->nbins_y_given = 0 ;
124	+	args_info->nbins_z_given = 0 ;
125		args_info->nanglebins_given = 0 ;
106	–	args_info->length_given = 0 ;
126		args_info->rcut_given = 0 ;
127	+	args_info->dz_given = 0 ;
128	+	args_info->length_given = 0 ;
129	+	args_info->zlength_given = 0 ;
130		args_info->zoffset_given = 0 ;
131		args_info->sele1_given = 0 ;
132		args_info->sele2_given = 0 ;
#	Line 118 | Line 140 | void clear_given (struct gengetopt_args_info *args_inf
140		args_info->bo_given = 0 ;
141		args_info->bor_given = 0 ;
142		args_info->bad_given = 0 ;
143	+	args_info->count_given = 0 ;
144		args_info->gofr_given = 0 ;
145		args_info->gofz_given = 0 ;
146		args_info->r_theta_given = 0 ;
147		args_info->r_omega_given = 0 ;
148	+	args_info->r_z_given = 0 ;
149		args_info->theta_omega_given = 0 ;
150		args_info->gxyz_given = 0 ;
151	+	args_info->twodgofr_given = 0 ;
152		args_info->p2_given = 0 ;
153		args_info->rp2_given = 0 ;
154		args_info->scd_given = 0 ;
155		args_info->density_given = 0 ;
156		args_info->slab_density_given = 0 ;
157	+	args_info->p_angle_given = 0 ;
158		args_info->hxy_given = 0 ;
159		args_info->rho_r_given = 0 ;
160	+	args_info->angle_r_given = 0 ;
161		args_info->hullvol_given = 0 ;
162	+	args_info->rodlength_given = 0 ;
163	+	args_info->tet_param_given = 0 ;
164	+	args_info->tet_param_z_given = 0 ;
165		args_info->staticProps_group_counter = 0 ;
166		}
167
168		static
169		void clear_args (struct gengetopt_args_info *args_info)
170		{
171	+	FIX_UNUSED (args_info);
172		args_info->input_arg = NULL;
173		args_info->input_orig = NULL;
174		args_info->output_arg = NULL;
#	Line 150 | Line 181 | void clear_args (struct gengetopt_args_info *args_info
181		args_info->nbins_x_orig = NULL;
182		args_info->nbins_y_arg = 100;
183		args_info->nbins_y_orig = NULL;
184	+	args_info->nbins_z_arg = 100;
185	+	args_info->nbins_z_orig = NULL;
186		args_info->nanglebins_arg = 50;
187		args_info->nanglebins_orig = NULL;
155	–	args_info->length_orig = NULL;
188		args_info->rcut_orig = NULL;
189	+	args_info->dz_orig = NULL;
190	+	args_info->length_orig = NULL;
191	+	args_info->zlength_orig = NULL;
192		args_info->zoffset_arg = 0;
193		args_info->zoffset_orig = NULL;
194		args_info->sele1_arg = NULL;
#	Line 187 | Line 222 | void init_args_info(struct gengetopt_args_info *args_i
222		args_info->nbins_help = gengetopt_args_info_help[5] ;
223		args_info->nbins_x_help = gengetopt_args_info_help[6] ;
224		args_info->nbins_y_help = gengetopt_args_info_help[7] ;
225	<	args_info->nanglebins_help = gengetopt_args_info_help[8] ;
226	<	args_info->length_help = gengetopt_args_info_help[9] ;
225	>	args_info->nbins_z_help = gengetopt_args_info_help[8] ;
226	>	args_info->nanglebins_help = gengetopt_args_info_help[9] ;
227		args_info->rcut_help = gengetopt_args_info_help[10] ;
228	<	args_info->zoffset_help = gengetopt_args_info_help[11] ;
229	<	args_info->sele1_help = gengetopt_args_info_help[12] ;
230	<	args_info->sele2_help = gengetopt_args_info_help[13] ;
231	<	args_info->sele3_help = gengetopt_args_info_help[14] ;
232	<	args_info->refsele_help = gengetopt_args_info_help[15] ;
233	<	args_info->comsele_help = gengetopt_args_info_help[16] ;
234	<	args_info->molname_help = gengetopt_args_info_help[17] ;
235	<	args_info->begin_help = gengetopt_args_info_help[18] ;
236	<	args_info->end_help = gengetopt_args_info_help[19] ;
237	<	args_info->radius_help = gengetopt_args_info_help[20] ;
238	<	args_info->bo_help = gengetopt_args_info_help[22] ;
239	<	args_info->bor_help = gengetopt_args_info_help[23] ;
240	<	args_info->bad_help = gengetopt_args_info_help[24] ;
241	<	args_info->gofr_help = gengetopt_args_info_help[25] ;
242	<	args_info->gofz_help = gengetopt_args_info_help[26] ;
243	<	args_info->r_theta_help = gengetopt_args_info_help[27] ;
244	<	args_info->r_omega_help = gengetopt_args_info_help[28] ;
245	<	args_info->theta_omega_help = gengetopt_args_info_help[29] ;
246	<	args_info->gxyz_help = gengetopt_args_info_help[30] ;
247	<	args_info->p2_help = gengetopt_args_info_help[31] ;
248	<	args_info->rp2_help = gengetopt_args_info_help[32] ;
249	<	args_info->scd_help = gengetopt_args_info_help[33] ;
250	<	args_info->density_help = gengetopt_args_info_help[34] ;
251	<	args_info->slab_density_help = gengetopt_args_info_help[35] ;
252	<	args_info->hxy_help = gengetopt_args_info_help[36] ;
253	<	args_info->rho_r_help = gengetopt_args_info_help[37] ;
254	<	args_info->hullvol_help = gengetopt_args_info_help[38] ;
228	>	args_info->dz_help = gengetopt_args_info_help[11] ;
229	>	args_info->length_help = gengetopt_args_info_help[12] ;
230	>	args_info->zlength_help = gengetopt_args_info_help[13] ;
231	>	args_info->zoffset_help = gengetopt_args_info_help[14] ;
232	>	args_info->sele1_help = gengetopt_args_info_help[15] ;
233	>	args_info->sele2_help = gengetopt_args_info_help[16] ;
234	>	args_info->sele3_help = gengetopt_args_info_help[17] ;
235	>	args_info->refsele_help = gengetopt_args_info_help[18] ;
236	>	args_info->comsele_help = gengetopt_args_info_help[19] ;
237	>	args_info->molname_help = gengetopt_args_info_help[20] ;
238	>	args_info->begin_help = gengetopt_args_info_help[21] ;
239	>	args_info->end_help = gengetopt_args_info_help[22] ;
240	>	args_info->radius_help = gengetopt_args_info_help[23] ;
241	>	args_info->bo_help = gengetopt_args_info_help[25] ;
242	>	args_info->bor_help = gengetopt_args_info_help[26] ;
243	>	args_info->bad_help = gengetopt_args_info_help[27] ;
244	>	args_info->count_help = gengetopt_args_info_help[28] ;
245	>	args_info->gofr_help = gengetopt_args_info_help[29] ;
246	>	args_info->gofz_help = gengetopt_args_info_help[30] ;
247	>	args_info->r_theta_help = gengetopt_args_info_help[31] ;
248	>	args_info->r_omega_help = gengetopt_args_info_help[32] ;
249	>	args_info->r_z_help = gengetopt_args_info_help[33] ;
250	>	args_info->theta_omega_help = gengetopt_args_info_help[34] ;
251	>	args_info->gxyz_help = gengetopt_args_info_help[35] ;
252	>	args_info->twodgofr_help = gengetopt_args_info_help[36] ;
253	>	args_info->p2_help = gengetopt_args_info_help[37] ;
254	>	args_info->rp2_help = gengetopt_args_info_help[38] ;
255	>	args_info->scd_help = gengetopt_args_info_help[39] ;
256	>	args_info->density_help = gengetopt_args_info_help[40] ;
257	>	args_info->slab_density_help = gengetopt_args_info_help[41] ;
258	>	args_info->p_angle_help = gengetopt_args_info_help[42] ;
259	>	args_info->hxy_help = gengetopt_args_info_help[43] ;
260	>	args_info->rho_r_help = gengetopt_args_info_help[44] ;
261	>	args_info->angle_r_help = gengetopt_args_info_help[45] ;
262	>	args_info->hullvol_help = gengetopt_args_info_help[46] ;
263	>	args_info->rodlength_help = gengetopt_args_info_help[47] ;
264	>	args_info->tet_param_help = gengetopt_args_info_help[48] ;
265	>	args_info->tet_param_z_help = gengetopt_args_info_help[49] ;
266
267		}
268
269		void
270		cmdline_parser_print_version (void)
271		{
272	<	printf ("%s %s\n", CMDLINE_PARSER_PACKAGE, CMDLINE_PARSER_VERSION);
272	>	printf ("%s %s\n",
273	>	(strlen(CMDLINE_PARSER_PACKAGE_NAME) ? CMDLINE_PARSER_PACKAGE_NAME : CMDLINE_PARSER_PACKAGE),
274	>	CMDLINE_PARSER_VERSION);
275		}
276
277		static void print_help_common(void) {
#	Line 238 | Line 286 | static void print_help_common(void) {
286		printf("\n");
287
288		if (strlen(gengetopt_args_info_description) > 0)
289	<	printf("%s\n", gengetopt_args_info_description);
289	>	printf("%s\n\n", gengetopt_args_info_description);
290		}
291
292		void
#	Line 256 | Line 304 | cmdline_parser_init (struct gengetopt_args_info *args_
304		clear_given (args_info);
305		clear_args (args_info);
306		init_args_info (args_info);
307	+
308	+	args_info->inputs = 0;
309	+	args_info->inputs_num = 0;
310		}
311
312		void
#	Line 294 | Line 345 | cmdline_parser_release (struct gengetopt_args_info *ar
345		static void
346		cmdline_parser_release (struct gengetopt_args_info *args_info)
347		{
348	<
348	>	unsigned int i;
349		free_string_field (&(args_info->input_arg));
350		free_string_field (&(args_info->input_orig));
351		free_string_field (&(args_info->output_arg));
#	Line 303 | Line 354 | cmdline_parser_release (struct gengetopt_args_info *ar
354		free_string_field (&(args_info->nbins_orig));
355		free_string_field (&(args_info->nbins_x_orig));
356		free_string_field (&(args_info->nbins_y_orig));
357	+	free_string_field (&(args_info->nbins_z_orig));
358		free_string_field (&(args_info->nanglebins_orig));
307	–	free_string_field (&(args_info->length_orig));
359		free_string_field (&(args_info->rcut_orig));
360	+	free_string_field (&(args_info->dz_orig));
361	+	free_string_field (&(args_info->length_orig));
362	+	free_string_field (&(args_info->zlength_orig));
363		free_string_field (&(args_info->zoffset_orig));
364		free_string_field (&(args_info->sele1_arg));
365		free_string_field (&(args_info->sele1_orig));
#	Line 324 | Line 378 | cmdline_parser_release (struct gengetopt_args_info *ar
378		free_string_field (&(args_info->radius_orig));
379
380
381	+	for (i = 0; i < args_info->inputs_num; ++i)
382	+	free (args_info->inputs [i]);
383
384	+	if (args_info->inputs_num)
385	+	free (args_info->inputs);
386	+
387		clear_given (args_info);
388		}
389
390
391		static void
392	<	write_into_file(FILE *outfile, const char *opt, const char *arg, char *values[])
392	>	write_into_file(FILE *outfile, const char *opt, const char *arg, const char *values[])
393		{
394	+	FIX_UNUSED (values);
395		if (arg) {
396		fprintf(outfile, "%s=\"%s\"\n", opt, arg);
397		} else {
#	Line 367 | Line 427 | cmdline_parser_dump(FILE *outfile, struct gengetopt_ar
427		write_into_file(outfile, "nbins_x", args_info->nbins_x_orig, 0);
428		if (args_info->nbins_y_given)
429		write_into_file(outfile, "nbins_y", args_info->nbins_y_orig, 0);
430	+	if (args_info->nbins_z_given)
431	+	write_into_file(outfile, "nbins_z", args_info->nbins_z_orig, 0);
432		if (args_info->nanglebins_given)
433		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);
434		if (args_info->rcut_given)
435		write_into_file(outfile, "rcut", args_info->rcut_orig, 0);
436	+	if (args_info->dz_given)
437	+	write_into_file(outfile, "dz", args_info->dz_orig, 0);
438	+	if (args_info->length_given)
439	+	write_into_file(outfile, "length", args_info->length_orig, 0);
440	+	if (args_info->zlength_given)
441	+	write_into_file(outfile, "zlength", args_info->zlength_orig, 0);
442		if (args_info->zoffset_given)
443		write_into_file(outfile, "zoffset", args_info->zoffset_orig, 0);
444		if (args_info->sele1_given)
#	Line 399 | Line 465 | cmdline_parser_dump(FILE *outfile, struct gengetopt_ar
465		write_into_file(outfile, "bor", 0, 0 );
466		if (args_info->bad_given)
467		write_into_file(outfile, "bad", 0, 0 );
468	+	if (args_info->count_given)
469	+	write_into_file(outfile, "count", 0, 0 );
470		if (args_info->gofr_given)
471		write_into_file(outfile, "gofr", 0, 0 );
472		if (args_info->gofz_given)
#	Line 407 | Line 475 | cmdline_parser_dump(FILE *outfile, struct gengetopt_ar
475		write_into_file(outfile, "r_theta", 0, 0 );
476		if (args_info->r_omega_given)
477		write_into_file(outfile, "r_omega", 0, 0 );
478	+	if (args_info->r_z_given)
479	+	write_into_file(outfile, "r_z", 0, 0 );
480		if (args_info->theta_omega_given)
481		write_into_file(outfile, "theta_omega", 0, 0 );
482		if (args_info->gxyz_given)
483		write_into_file(outfile, "gxyz", 0, 0 );
484	+	if (args_info->twodgofr_given)
485	+	write_into_file(outfile, "twodgofr", 0, 0 );
486		if (args_info->p2_given)
487		write_into_file(outfile, "p2", 0, 0 );
488		if (args_info->rp2_given)
#	Line 421 | Line 493 | cmdline_parser_dump(FILE *outfile, struct gengetopt_ar
493		write_into_file(outfile, "density", 0, 0 );
494		if (args_info->slab_density_given)
495		write_into_file(outfile, "slab_density", 0, 0 );
496	+	if (args_info->p_angle_given)
497	+	write_into_file(outfile, "p_angle", 0, 0 );
498		if (args_info->hxy_given)
499		write_into_file(outfile, "hxy", 0, 0 );
500		if (args_info->rho_r_given)
501		write_into_file(outfile, "rho_r", 0, 0 );
502	+	if (args_info->angle_r_given)
503	+	write_into_file(outfile, "angle_r", 0, 0 );
504		if (args_info->hullvol_given)
505		write_into_file(outfile, "hullvol", 0, 0 );
506	+	if (args_info->rodlength_given)
507	+	write_into_file(outfile, "rodlength", 0, 0 );
508	+	if (args_info->tet_param_given)
509	+	write_into_file(outfile, "tet_param", 0, 0 );
510	+	if (args_info->tet_param_z_given)
511	+	write_into_file(outfile, "tet_param_z", 0, 0 );
512
513
514		i = EXIT_SUCCESS;
#	Line 463 | Line 545 | gengetopt_strdup (const char *s)
545		char *
546		gengetopt_strdup (const char *s)
547		{
548	<	char *result = NULL;
548	>	char *result = 0;
549		if (!s)
550		return result;
551
#	Line 483 | Line 565 | reset_group_staticProps(struct gengetopt_args_info *ar
565		args_info->bo_given = 0 ;
566		args_info->bor_given = 0 ;
567		args_info->bad_given = 0 ;
568	+	args_info->count_given = 0 ;
569		args_info->gofr_given = 0 ;
570		args_info->gofz_given = 0 ;
571		args_info->r_theta_given = 0 ;
572		args_info->r_omega_given = 0 ;
573	+	args_info->r_z_given = 0 ;
574		args_info->theta_omega_given = 0 ;
575		args_info->gxyz_given = 0 ;
576	+	args_info->twodgofr_given = 0 ;
577		args_info->p2_given = 0 ;
578		args_info->rp2_given = 0 ;
579		args_info->scd_given = 0 ;
580		args_info->density_given = 0 ;
581		args_info->slab_density_given = 0 ;
582	+	args_info->p_angle_given = 0 ;
583		args_info->hxy_given = 0 ;
584		args_info->rho_r_given = 0 ;
585	+	args_info->angle_r_given = 0 ;
586		args_info->hullvol_given = 0 ;
587	+	args_info->rodlength_given = 0 ;
588	+	args_info->tet_param_given = 0 ;
589	+	args_info->tet_param_z_given = 0 ;
590
591		args_info->staticProps_group_counter = 0;
592		}
593
594		int
595	<	cmdline_parser (int argc, char * const *argv, struct gengetopt_args_info *args_info)
595	>	cmdline_parser (int argc, char **argv, struct gengetopt_args_info *args_info)
596		{
597		return cmdline_parser2 (argc, argv, args_info, 0, 1, 1);
598		}
599
600		int
601	<	cmdline_parser_ext (int argc, char * const *argv, struct gengetopt_args_info *args_info,
601	>	cmdline_parser_ext (int argc, char **argv, struct gengetopt_args_info *args_info,
602		struct cmdline_parser_params *params)
603		{
604		int result;
605	<	result = cmdline_parser_internal (argc, argv, args_info, params, NULL);
605	>	result = cmdline_parser_internal (argc, argv, args_info, params, 0);
606
607		if (result == EXIT_FAILURE)
608		{
#	Line 524 | Line 614 | int
614		}
615
616		int
617	<	cmdline_parser2 (int argc, char * const *argv, struct gengetopt_args_info *args_info, int override, int initialize, int check_required)
617	>	cmdline_parser2 (int argc, char **argv, struct gengetopt_args_info *args_info, int override, int initialize, int check_required)
618		{
619		int result;
620		struct cmdline_parser_params params;
#	Line 535 | Line 625 | cmdline_parser2 (int argc, char * const *argv, struct
625		params.check_ambiguity = 0;
626		params.print_errors = 1;
627
628	<	result = cmdline_parser_internal (argc, argv, args_info, &params, NULL);
628	>	result = cmdline_parser_internal (argc, argv, args_info, &params, 0);
629
630		if (result == EXIT_FAILURE)
631		{
#	Line 551 | Line 641 | cmdline_parser_required (struct gengetopt_args_info *a
641		{
642		int result = EXIT_SUCCESS;
643
644	<	if (cmdline_parser_required2(args_info, prog_name, NULL) > 0)
644	>	if (cmdline_parser_required2(args_info, prog_name, 0) > 0)
645		result = EXIT_FAILURE;
646
647		if (result == EXIT_FAILURE)
#	Line 567 | Line 657 | cmdline_parser_required2 (struct gengetopt_args_info *
657		cmdline_parser_required2 (struct gengetopt_args_info *args_info, const char *prog_name, const char *additional_error)
658		{
659		int error = 0;
660	+	FIX_UNUSED (additional_error);
661
662		/* checks for required options */
663		if (! args_info->input_given)
#	Line 577 | Line 668 | cmdline_parser_required2 (struct gengetopt_args_info *
668
669		if (args_info->staticProps_group_counter == 0)
670		{
671	<	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 : ""));
671	>	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 : ""));
672		error = 1;
673		}
674
#	Line 611 | Line 702 | int update_arg(void *field, char **orig_field,
702		static
703		int update_arg(void *field, char **orig_field,
704		unsigned int *field_given, unsigned int *prev_given,
705	<	char *value, char *possible_values[], const char *default_value,
705	>	char *value, const char *possible_values[],
706	>	const char *default_value,
707		cmdline_parser_arg_type arg_type,
708		int check_ambiguity, int override,
709		int no_free, int multiple_option,
#	Line 622 | Line 714 | int update_arg(void *field, char **orig_field,
714		const char *val = value;
715		int found;
716		char **string_field;
717	+	FIX_UNUSED (field);
718
719		stop_char = 0;
720		found = 0;
#	Line 639 | Line 732 | int update_arg(void *field, char **orig_field,
732		return 1; /* failure */
733		}
734
735	+	FIX_UNUSED (default_value);
736
737		if (field_given && *field_given && ! override)
738		return 0;
#	Line 702 | Line 796 | int
796
797
798		int
799	<	cmdline_parser_internal (int argc, char * const *argv, struct gengetopt_args_info *args_info,
799	>	cmdline_parser_internal (
800	>	int argc, char **argv, struct gengetopt_args_info *args_info,
801		struct cmdline_parser_params *params, const char *additional_error)
802		{
803		int c;        /* Character of the parsed option.  */
#	Line 745 | Line 840 | cmdline_parser_internal (int argc, char * const *argv,
840		{ "nbins",      1, NULL, 'b' },
841		{ "nbins_x",    1, NULL, 'x' },
842		{ "nbins_y",    1, NULL, 'y' },
843	+	{ "nbins_z",    1, NULL, 0 },
844		{ "nanglebins", 1, NULL, 'a' },
749	–	{ "length",     1, NULL, 0 },
845		{ "rcut",       1, NULL, 'c' },
846	+	{ "dz", 1, NULL, 0 },
847	+	{ "length",     1, NULL, 0 },
848	+	{ "zlength",    1, NULL, 0 },
849		{ "zoffset",    1, NULL, 'z' },
850		{ "sele1",      1, NULL, 0 },
851		{ "sele2",      1, NULL, 0 },
#	Line 761 | Line 859 | cmdline_parser_internal (int argc, char * const *argv,
859		{ "bo", 0, NULL, 0 },
860		{ "bor",        0, NULL, 0 },
861		{ "bad",        0, NULL, 0 },
862	+	{ "count",      0, NULL, 0 },
863		{ "gofr",       0, NULL, 'g' },
864		{ "gofz",       0, NULL, 0 },
865		{ "r_theta",    0, NULL, 0 },
866		{ "r_omega",    0, NULL, 0 },
867	+	{ "r_z",        0, NULL, 0 },
868		{ "theta_omega",        0, NULL, 0 },
869		{ "gxyz",       0, NULL, 0 },
870	+	{ "twodgofr",   0, NULL, 0 },
871		{ "p2", 0, NULL, 'p' },
872		{ "rp2",        0, NULL, 0 },
873		{ "scd",        0, NULL, 's' },
874		{ "density",    0, NULL, 'd' },
875		{ "slab_density",       0, NULL, 0 },
876	+	{ "p_angle",    0, NULL, 0 },
877		{ "hxy",        0, NULL, 0 },
878		{ "rho_r",      0, NULL, 0 },
879	+	{ "angle_r",    0, NULL, 0 },
880		{ "hullvol",    0, NULL, 0 },
881	<	{ NULL, 0, NULL, 0 }
881	>	{ "rodlength",  0, NULL, 0 },
882	>	{ "tet_param",  0, NULL, 'Q' },
883	>	{ "tet_param_z",        0, NULL, 0 },
884	>	{ 0,  0, 0, 0 }
885		};
886
887	<	c = getopt_long (argc, argv, "hVi:o:n:b:x:y:a:c:z:gpsd", long_options, &option_index);
887	>	c = getopt_long (argc, argv, "hVi:o:n:b:x:y:a:c:z:gpsdQ", long_options, &option_index);
888
889		if (c == -1) break;       /* Exit from `while (1)' loop.  */
890
#	Line 917 | Line 1023 | cmdline_parser_internal (int argc, char * const *argv,
1023		goto failure;
1024
1025		break;
1026	<	case 'p':       /* p2 order parameter (--sele1 and --sele2 must be specified).  */
1026	>	case 'p':       /* p2 order parameter (--sele1 must be specified, --sele2 is optional).  */
1027
1028		if (args_info->staticProps_group_counter && override)
1029		reset_group_staticProps (args_info);
#	Line 962 | Line 1068 | cmdline_parser_internal (int argc, char * const *argv,
1068		goto failure;
1069
1070		break;
1071	+	case 'Q':       /* tetrahedrality order parameter.  */
1072	+
1073	+	if (args_info->staticProps_group_counter && override)
1074	+	reset_group_staticProps (args_info);
1075	+	args_info->staticProps_group_counter += 1;
1076	+
1077	+	if (update_arg( 0 ,
1078	+	0 , &(args_info->tet_param_given),
1079	+	&(local_args_info.tet_param_given), optarg, 0, 0, ARG_NO,
1080	+	check_ambiguity, override, 0, 0,
1081	+	"tet_param", 'Q',
1082	+	additional_error))
1083	+	goto failure;
1084	+
1085	+	break;
1086
1087		case 0: /* Long option with no short option */
1088	+	/* number of bins in z axis.  */
1089	+	if (strcmp (long_options[option_index].name, "nbins_z") == 0)
1090	+	{
1091	+
1092	+
1093	+	if (update_arg( (void *)&(args_info->nbins_z_arg),
1094	+	&(args_info->nbins_z_orig), &(args_info->nbins_z_given),
1095	+	&(local_args_info.nbins_z_given), optarg, 0, "100", ARG_INT,
1096	+	check_ambiguity, override, 0, 0,
1097	+	"nbins_z", '-',
1098	+	additional_error))
1099	+	goto failure;
1100	+
1101	+	}
1102	+	/* slab width (dz).  */
1103	+	else if (strcmp (long_options[option_index].name, "dz") == 0)
1104	+	{
1105	+
1106	+
1107	+	if (update_arg( (void *)&(args_info->dz_arg),
1108	+	&(args_info->dz_orig), &(args_info->dz_given),
1109	+	&(local_args_info.dz_given), optarg, 0, 0, ARG_DOUBLE,
1110	+	check_ambiguity, override, 0, 0,
1111	+	"dz", '-',
1112	+	additional_error))
1113	+	goto failure;
1114	+
1115	+	}
1116		/* maximum length (Defaults to 1/2 smallest length of first frame).  */
1117	<	if (strcmp (long_options[option_index].name, "length") == 0)
1117	>	else if (strcmp (long_options[option_index].name, "length") == 0)
1118		{
1119
1120
#	Line 978 | Line 1127 | cmdline_parser_internal (int argc, char * const *argv,
1127		goto failure;
1128
1129		}
1130	+	/* maximum length (Defaults to 1/2 smallest length of first frame).  */
1131	+	else if (strcmp (long_options[option_index].name, "zlength") == 0)
1132	+	{
1133	+
1134	+
1135	+	if (update_arg( (void *)&(args_info->zlength_arg),
1136	+	&(args_info->zlength_orig), &(args_info->zlength_given),
1137	+	&(local_args_info.zlength_given), optarg, 0, 0, ARG_DOUBLE,
1138	+	check_ambiguity, override, 0, 0,
1139	+	"zlength", '-',
1140	+	additional_error))
1141	+	goto failure;
1142	+
1143	+	}
1144		/* select the first stuntdouble set.  */
1145		else if (strcmp (long_options[option_index].name, "sele1") == 0)
1146		{
#	Line 1155 | Line 1318 | cmdline_parser_internal (int argc, char * const *argv,
1318		goto failure;
1319
1320		}
1321	+	/* count of molecules matching selection criteria (and associated statistics).  */
1322	+	else if (strcmp (long_options[option_index].name, "count") == 0)
1323	+	{
1324	+
1325	+	if (args_info->staticProps_group_counter && override)
1326	+	reset_group_staticProps (args_info);
1327	+	args_info->staticProps_group_counter += 1;
1328	+
1329	+	if (update_arg( 0 ,
1330	+	0 , &(args_info->count_given),
1331	+	&(local_args_info.count_given), optarg, 0, 0, ARG_NO,
1332	+	check_ambiguity, override, 0, 0,
1333	+	"count", '-',
1334	+	additional_error))
1335	+	goto failure;
1336	+
1337	+	}
1338		/* g(z).  */
1339		else if (strcmp (long_options[option_index].name, "gofz") == 0)
1340		{
#	Line 1206 | Line 1386 | cmdline_parser_internal (int argc, char * const *argv,
1386		goto failure;
1387
1388		}
1389	+	/* g(r, z).  */
1390	+	else if (strcmp (long_options[option_index].name, "r_z") == 0)
1391	+	{
1392	+
1393	+	if (args_info->staticProps_group_counter && override)
1394	+	reset_group_staticProps (args_info);
1395	+	args_info->staticProps_group_counter += 1;
1396	+
1397	+	if (update_arg( 0 ,
1398	+	0 , &(args_info->r_z_given),
1399	+	&(local_args_info.r_z_given), optarg, 0, 0, ARG_NO,
1400	+	check_ambiguity, override, 0, 0,
1401	+	"r_z", '-',
1402	+	additional_error))
1403	+	goto failure;
1404	+
1405	+	}
1406		/* g(cos(theta), cos(omega)).  */
1407		else if (strcmp (long_options[option_index].name, "theta_omega") == 0)
1408		{
#	Line 1236 | Line 1433 | cmdline_parser_internal (int argc, char * const *argv,
1433		&(local_args_info.gxyz_given), optarg, 0, 0, ARG_NO,
1434		check_ambiguity, override, 0, 0,
1435		"gxyz", '-',
1436	+	additional_error))
1437	+	goto failure;
1438	+
1439	+	}
1440	+	/* 2D g(r) (Slab width --dz must be specified).  */
1441	+	else if (strcmp (long_options[option_index].name, "twodgofr") == 0)
1442	+	{
1443	+
1444	+	if (args_info->staticProps_group_counter && override)
1445	+	reset_group_staticProps (args_info);
1446	+	args_info->staticProps_group_counter += 1;
1447	+
1448	+	if (update_arg( 0 ,
1449	+	0 , &(args_info->twodgofr_given),
1450	+	&(local_args_info.twodgofr_given), optarg, 0, 0, ARG_NO,
1451	+	check_ambiguity, override, 0, 0,
1452	+	"twodgofr", '-',
1453		additional_error))
1454		goto failure;
1455
#	Line 1274 | Line 1488 | cmdline_parser_internal (int argc, char * const *argv,
1488		goto failure;
1489
1490		}
1491	+	/* p(cos(theta)).  */
1492	+	else if (strcmp (long_options[option_index].name, "p_angle") == 0)
1493	+	{
1494	+
1495	+	if (args_info->staticProps_group_counter && override)
1496	+	reset_group_staticProps (args_info);
1497	+	args_info->staticProps_group_counter += 1;
1498	+
1499	+	if (update_arg( 0 ,
1500	+	0 , &(args_info->p_angle_given),
1501	+	&(local_args_info.p_angle_given), optarg, 0, 0, ARG_NO,
1502	+	check_ambiguity, override, 0, 0,
1503	+	"p_angle", '-',
1504	+	additional_error))
1505	+	goto failure;
1506	+
1507	+	}
1508		/* hxy.  */
1509		else if (strcmp (long_options[option_index].name, "hxy") == 0)
1510		{
#	Line 1308 | Line 1539 | cmdline_parser_internal (int argc, char * const *argv,
1539		goto failure;
1540
1541		}
1542	+	/* angle of R.  */
1543	+	else if (strcmp (long_options[option_index].name, "angle_r") == 0)
1544	+	{
1545	+
1546	+	if (args_info->staticProps_group_counter && override)
1547	+	reset_group_staticProps (args_info);
1548	+	args_info->staticProps_group_counter += 1;
1549	+
1550	+	if (update_arg( 0 ,
1551	+	0 , &(args_info->angle_r_given),
1552	+	&(local_args_info.angle_r_given), optarg, 0, 0, ARG_NO,
1553	+	check_ambiguity, override, 0, 0,
1554	+	"angle_r", '-',
1555	+	additional_error))
1556	+	goto failure;
1557	+
1558	+	}
1559		/* hull volume of nanoparticle.  */
1560		else if (strcmp (long_options[option_index].name, "hullvol") == 0)
1561		{
#	Line 1325 | Line 1573 | cmdline_parser_internal (int argc, char * const *argv,
1573		goto failure;
1574
1575		}
1576	+	/* length of nanorod.  */
1577	+	else if (strcmp (long_options[option_index].name, "rodlength") == 0)
1578	+	{
1579
1580	+	if (args_info->staticProps_group_counter && override)
1581	+	reset_group_staticProps (args_info);
1582	+	args_info->staticProps_group_counter += 1;
1583	+
1584	+	if (update_arg( 0 ,
1585	+	0 , &(args_info->rodlength_given),
1586	+	&(local_args_info.rodlength_given), optarg, 0, 0, ARG_NO,
1587	+	check_ambiguity, override, 0, 0,
1588	+	"rodlength", '-',
1589	+	additional_error))
1590	+	goto failure;
1591	+
1592	+	}
1593	+	/* tetrahedrality order parameter by zbin(--sele1 must be specified).  */
1594	+	else if (strcmp (long_options[option_index].name, "tet_param_z") == 0)
1595	+	{
1596	+
1597	+	if (args_info->staticProps_group_counter && override)
1598	+	reset_group_staticProps (args_info);
1599	+	args_info->staticProps_group_counter += 1;
1600	+
1601	+	if (update_arg( 0 ,
1602	+	0 , &(args_info->tet_param_z_given),
1603	+	&(local_args_info.tet_param_z_given), optarg, 0, 0, ARG_NO,
1604	+	check_ambiguity, override, 0, 0,
1605	+	"tet_param_z", '-',
1606	+	additional_error))
1607	+	goto failure;
1608	+
1609	+	}
1610	+
1611		break;
1612		case '?':       /* Invalid option.  */
1613		/* `getopt_long' already printed an error message.  */
#	Line 1339 | Line 1621 | cmdline_parser_internal (int argc, char * const *argv,
1621
1622		if (args_info->staticProps_group_counter > 1)
1623		{
1624	<	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 : ""));
1624	>	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 : ""));
1625		error = 1;
1626		}
1627
#	Line 1355 | Line 1637 | cmdline_parser_internal (int argc, char * const *argv,
1637		if ( error )
1638		return (EXIT_FAILURE);
1639
1640	+	if (optind < argc)
1641	+	{
1642	+	int i = 0 ;
1643	+	int found_prog_name = 0;
1644	+	/* whether program name, i.e., argv[0], is in the remaining args
1645	+	(this may happen with some implementations of getopt,
1646	+	but surely not with the one included by gengetopt) */
1647	+
1648	+	i = optind;
1649	+	while (i < argc)
1650	+	if (argv[i++] == argv[0]) {
1651	+	found_prog_name = 1;
1652	+	break;
1653	+	}
1654	+	i = 0;
1655	+
1656	+	args_info->inputs_num = argc - optind - found_prog_name;
1657	+	args_info->inputs =
1658	+	(char **)(malloc ((args_info->inputs_num)*sizeof(char *))) ;
1659	+	while (optind < argc)
1660	+	if (argv[optind++] != argv[0])
1661	+	args_info->inputs[ i++ ] = gengetopt_strdup (argv[optind-1]) ;
1662	+	}
1663	+
1664		return 0;
1665
1666		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 1795 by gezelter, Fri Sep 7 18:13:55 2012 UTC

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

Diff Legend

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