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root/OpenMD/trunk/src/applications/dump2Xyz/Dump2XYZCmd.cpp

Comparing:
trunk/src/applications/dump2Xyz/Dump2XYZCmd.c (file contents), Revision 12 by tim, Tue Sep 28 23:24:25 2004 UTC vs.
trunk/src/applications/dump2Xyz/Dump2XYZCmd.cpp (file contents), Revision 1879 by gezelter, Sun Jun 16 15:15:42 2013 UTC

#	Line 1 | Line 1
1		/*
2	<	File autogenerated by gengetopt version 2.11
2	>	File autogenerated by gengetopt version 2.22.4
3		generated with the following command:
4	<	/home/maul/gezelter/tim/program/gengetopt-2.11/src/gengetopt --file-name=Dump2XYZCmd
4	>	gengetopt --file-name=Dump2XYZCmd --unamed-opts
5
6		The developers of gengetopt consider the fixed text that goes in all
7		gengetopt output files to be in the public domain:
8		we make no copyright claims on it.
9		*/
10
11	+	/* If we use autoconf.  */
12	+	#ifdef HAVE_CONFIG_H
13	+	#include "config.h"
14	+	#endif
15
16		#include <stdio.h>
17		#include <stdlib.h>
18		#include <string.h>
19
20	<	/* If we use autoconf.  */
21	<	#ifdef HAVE_CONFIG_H
18	<	#include "config.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
22	–	#include "getopt.h"
30
31	<	#include "applications/dump2Xyz/Dump2XYZCmd.h"
31	>	#include "Dump2XYZCmd.h"
32
33	<	void
27	<	cmdline_parser_print_version (void)
28	<	{
29	<	printf ("%s %s\n", CMDLINE_PARSER_PACKAGE, CMDLINE_PARSER_VERSION);
30	<	}
33	>	const char *gengetopt_args_info_purpose = "";
34
35	<	void
33	<	cmdline_parser_print_help (void)
34	<	{
35	<	cmdline_parser_print_version ();
36	<	printf("\n"
37	<	"Usage: %s [OPTIONS]...\n", CMDLINE_PARSER_PACKAGE);
38	<	printf("\n");
39	<	printf("  -h, --help             Print help and exit\n");
40	<	printf("  -V, --version          Print version and exit\n");
41	<	printf("  -i, --input=filename   input dump file\n");
42	<	printf("  -o, --output=filename  output file name\n");
43	<	printf("  -n, --frame=INT        print every n frame  (default=`1')\n");
44	<	printf("  -d, --dipole           print the dipole moments  (default=off)\n");
45	<	printf("  -w, --water            skip the the waters  (default=off)\n");
46	<	printf("  -m, --periodicBox      map to the periodic box  (default=off)\n");
47	<	printf("  -z, --zconstraint      replace the atom types of zconstraint molecules  \n                           (default=off)\n");
48	<	printf("  -r, --rigidbody        add a pseudo COM atom to rigidbody  (default=off)\n");
49	<	printf("  -t, --watertype        replace the atom type of water model  (default=on)\n");
50	<	printf("  -s, --ignore=atomtype  ignore the atom types\n");
51	<	printf("      --repeatX=INT      The number of images to repeat in the x direction  \n                           (default=`0')\n");
52	<	printf("      --repeatY=INT      The number of images to repeat in the y direction  \n                           (default=`0')\n");
53	<	printf("      --repeatZ=INT      The number of images to repeat in the z direction  \n                           (default=`0')\n");
54	<	}
35	>	const char *gengetopt_args_info_usage = "Usage: Dump2XYZ [OPTIONS]... [FILES]...";
36
37	+	const char *gengetopt_args_info_description = "";
38
39	<	static char *gengetopt_strdup (const char *s);
39	>	const char *gengetopt_args_info_help[] = {
40	>	"  -h, --help                    Print help and exit",
41	>	"  -V, --version                 Print version and exit",
42	>	"  -i, --input=filename          input dump file",
43	>	"  -o, --output=filename         output file name",
44	>	"  -n, --frame=INT               print every n frame  (default=`1')",
45	>	"  -w, --water                   skip the the waters  (default=off)",
46	>	"  -m, --periodicBox             map to the periodic box  (default=off)",
47	>	"  -z, --zconstraint             replace the atom types of zconstraint molecules \n                                   (default=off)",
48	>	"  -r, --rigidbody               add a pseudo COM atom to rigidbody  \n                                  (default=off)",
49	>	"  -t, --watertype               replace the atom type of water model  \n                                  (default=on)",
50	>	"  -s, --selection=selection script\n                                general selection syntax",
51	>	"      --originsele=selection script\n                                select origin",
52	>	"      --refsele=selection script\n                                select reference",
53	>	"      --repeatX=INT             The number of images to repeat in the x \n                                  direction  (default=`0')",
54	>	"      --repeatY=INT             The number of images to repeat in the y \n                                  direction  (default=`0')",
55	>	"      --repeatZ=INT             The number of images to repeat in the z \n                                  direction  (default=`0')",
56	>	"  -b, --basetype                Convert to base atom type  (default=off)",
57	>	"  -v, --velocities              Print velocities in xyz file  (default=off)",
58	>	"  -f, --forces                  Print forces xyz file  (default=off)",
59	>	"  -u, --vectors                 Print vectors (dipoles, etc) in xyz file  \n                                  (default=off)",
60	>	"  -c, --charges                 Print charges in xyz file  (default=off)",
61	>	"  -e, --efield                  Print electric field vector in xyz file  \n                                  (default=off)",
62	>	0
63	>	};
64
65	<	/* gengetopt_strdup() */
66	<	/* strdup.c replacement of strdup, which is not standard */
67	<	char *
68	<	gengetopt_strdup (const char *s)
69	<	{
64	<	char *result = (char*)malloc(strlen(s) + 1);
65	<	if (result == (char*)0)
66	<	return (char*)0;
67	<	strcpy(result, s);
68	<	return result;
69	<	}
65	>	typedef enum {ARG_NO
66	>	, ARG_FLAG
67	>	, ARG_STRING
68	>	, ARG_INT
69	>	} cmdline_parser_arg_type;
70
71	<	int
72	<	cmdline_parser (int argc, char * const *argv, struct gengetopt_args_info *args_info)
73	<	{
74	<	int c;        /* Character of the parsed option.  */
75	<	int i;        /* Counter */
76	<	struct ignore_list
77	<	{
78	<	char * ignore_arg;
79	<	struct ignore_list * next;
80	<	};
81	<	struct ignore_list * ignore_list = NULL,* ignore_new = NULL;
82	<
83	<	int missing_required_options = 0;
71	>	static
72	>	void clear_given (struct gengetopt_args_info *args_info);
73	>	static
74	>	void clear_args (struct gengetopt_args_info *args_info);
75
76	+	static int
77	+	cmdline_parser_internal (int argc, char **argv, struct gengetopt_args_info *args_info,
78	+	struct cmdline_parser_params *params, const char *additional_error);
79	+
80	+	static int
81	+	cmdline_parser_required2 (struct gengetopt_args_info *args_info, const char *prog_name, const char *additional_error);
82	+
83	+	static char *
84	+	gengetopt_strdup (const char *s);
85	+
86	+	static
87	+	void clear_given (struct gengetopt_args_info *args_info)
88	+	{
89		args_info->help_given = 0 ;
90		args_info->version_given = 0 ;
91		args_info->input_given = 0 ;
92		args_info->output_given = 0 ;
93		args_info->frame_given = 0 ;
90	–	args_info->dipole_given = 0 ;
94		args_info->water_given = 0 ;
95		args_info->periodicBox_given = 0 ;
96		args_info->zconstraint_given = 0 ;
97		args_info->rigidbody_given = 0 ;
98		args_info->watertype_given = 0 ;
99	<	args_info->ignore_given = 0 ;
99	>	args_info->selection_given = 0 ;
100	>	args_info->originsele_given = 0 ;
101	>	args_info->refsele_given = 0 ;
102		args_info->repeatX_given = 0 ;
103		args_info->repeatY_given = 0 ;
104		args_info->repeatZ_given = 0 ;
105	<	#define clear_args() { \
106	<	args_info->input_arg = NULL; \
107	<	args_info->output_arg = NULL; \
108	<	args_info->frame_arg = 1 ;\
109	<	args_info->dipole_flag = 0;\
110	<	args_info->water_flag = 0;\
106	<	args_info->periodicBox_flag = 0;\
107	<	args_info->zconstraint_flag = 0;\
108	<	args_info->rigidbody_flag = 0;\
109	<	args_info->watertype_flag = 1;\
110	<	args_info->ignore_arg = NULL; \
111	<	args_info->repeatX_arg = 0 ;\
112	<	args_info->repeatY_arg = 0 ;\
113	<	args_info->repeatZ_arg = 0 ;\
105	>	args_info->basetype_given = 0 ;
106	>	args_info->velocities_given = 0 ;
107	>	args_info->forces_given = 0 ;
108	>	args_info->vectors_given = 0 ;
109	>	args_info->charges_given = 0 ;
110	>	args_info->efield_given = 0 ;
111		}
112
113	<	clear_args();
113	>	static
114	>	void clear_args (struct gengetopt_args_info *args_info)
115	>	{
116	>	FIX_UNUSED (args_info);
117	>	args_info->input_arg = NULL;
118	>	args_info->input_orig = NULL;
119	>	args_info->output_arg = NULL;
120	>	args_info->output_orig = NULL;
121	>	args_info->frame_arg = 1;
122	>	args_info->frame_orig = NULL;
123	>	args_info->water_flag = 0;
124	>	args_info->periodicBox_flag = 0;
125	>	args_info->zconstraint_flag = 0;
126	>	args_info->rigidbody_flag = 0;
127	>	args_info->watertype_flag = 1;
128	>	args_info->selection_arg = NULL;
129	>	args_info->selection_orig = NULL;
130	>	args_info->originsele_arg = NULL;
131	>	args_info->originsele_orig = NULL;
132	>	args_info->refsele_arg = NULL;
133	>	args_info->refsele_orig = NULL;
134	>	args_info->repeatX_arg = 0;
135	>	args_info->repeatX_orig = NULL;
136	>	args_info->repeatY_arg = 0;
137	>	args_info->repeatY_orig = NULL;
138	>	args_info->repeatZ_arg = 0;
139	>	args_info->repeatZ_orig = NULL;
140	>	args_info->basetype_flag = 0;
141	>	args_info->velocities_flag = 0;
142	>	args_info->forces_flag = 0;
143	>	args_info->vectors_flag = 0;
144	>	args_info->charges_flag = 0;
145	>	args_info->efield_flag = 0;
146	>
147	>	}
148
149	+	static
150	+	void init_args_info(struct gengetopt_args_info *args_info)
151	+	{
152	+
153	+
154	+	args_info->help_help = gengetopt_args_info_help[0] ;
155	+	args_info->version_help = gengetopt_args_info_help[1] ;
156	+	args_info->input_help = gengetopt_args_info_help[2] ;
157	+	args_info->output_help = gengetopt_args_info_help[3] ;
158	+	args_info->frame_help = gengetopt_args_info_help[4] ;
159	+	args_info->water_help = gengetopt_args_info_help[5] ;
160	+	args_info->periodicBox_help = gengetopt_args_info_help[6] ;
161	+	args_info->zconstraint_help = gengetopt_args_info_help[7] ;
162	+	args_info->rigidbody_help = gengetopt_args_info_help[8] ;
163	+	args_info->watertype_help = gengetopt_args_info_help[9] ;
164	+	args_info->selection_help = gengetopt_args_info_help[10] ;
165	+	args_info->originsele_help = gengetopt_args_info_help[11] ;
166	+	args_info->refsele_help = gengetopt_args_info_help[12] ;
167	+	args_info->repeatX_help = gengetopt_args_info_help[13] ;
168	+	args_info->repeatY_help = gengetopt_args_info_help[14] ;
169	+	args_info->repeatZ_help = gengetopt_args_info_help[15] ;
170	+	args_info->basetype_help = gengetopt_args_info_help[16] ;
171	+	args_info->velocities_help = gengetopt_args_info_help[17] ;
172	+	args_info->forces_help = gengetopt_args_info_help[18] ;
173	+	args_info->vectors_help = gengetopt_args_info_help[19] ;
174	+	args_info->charges_help = gengetopt_args_info_help[20] ;
175	+	args_info->efield_help = gengetopt_args_info_help[21] ;
176	+
177	+	}
178	+
179	+	void
180	+	cmdline_parser_print_version (void)
181	+	{
182	+	printf ("%s %s\n",
183	+	(strlen(CMDLINE_PARSER_PACKAGE_NAME) ? CMDLINE_PARSER_PACKAGE_NAME : CMDLINE_PARSER_PACKAGE),
184	+	CMDLINE_PARSER_VERSION);
185	+	}
186	+
187	+	static void print_help_common(void) {
188	+	cmdline_parser_print_version ();
189	+
190	+	if (strlen(gengetopt_args_info_purpose) > 0)
191	+	printf("\n%s\n", gengetopt_args_info_purpose);
192	+
193	+	if (strlen(gengetopt_args_info_usage) > 0)
194	+	printf("\n%s\n", gengetopt_args_info_usage);
195	+
196	+	printf("\n");
197	+
198	+	if (strlen(gengetopt_args_info_description) > 0)
199	+	printf("%s\n\n", gengetopt_args_info_description);
200	+	}
201	+
202	+	void
203	+	cmdline_parser_print_help (void)
204	+	{
205	+	int i = 0;
206	+	print_help_common();
207	+	while (gengetopt_args_info_help[i])
208	+	printf("%s\n", gengetopt_args_info_help[i++]);
209	+	}
210	+
211	+	void
212	+	cmdline_parser_init (struct gengetopt_args_info *args_info)
213	+	{
214	+	clear_given (args_info);
215	+	clear_args (args_info);
216	+	init_args_info (args_info);
217	+
218	+	args_info->inputs = 0;
219	+	args_info->inputs_num = 0;
220	+	}
221	+
222	+	void
223	+	cmdline_parser_params_init(struct cmdline_parser_params *params)
224	+	{
225	+	if (params)
226	+	{
227	+	params->override = 0;
228	+	params->initialize = 1;
229	+	params->check_required = 1;
230	+	params->check_ambiguity = 0;
231	+	params->print_errors = 1;
232	+	}
233	+	}
234	+
235	+	struct cmdline_parser_params *
236	+	cmdline_parser_params_create(void)
237	+	{
238	+	struct cmdline_parser_params *params =
239	+	(struct cmdline_parser_params *)malloc(sizeof(struct cmdline_parser_params));
240	+	cmdline_parser_params_init(params);
241	+	return params;
242	+	}
243	+
244	+	static void
245	+	free_string_field (char **s)
246	+	{
247	+	if (*s)
248	+	{
249	+	free (*s);
250	+	*s = 0;
251	+	}
252	+	}
253	+
254	+
255	+	static void
256	+	cmdline_parser_release (struct gengetopt_args_info *args_info)
257	+	{
258	+	unsigned int i;
259	+	free_string_field (&(args_info->input_arg));
260	+	free_string_field (&(args_info->input_orig));
261	+	free_string_field (&(args_info->output_arg));
262	+	free_string_field (&(args_info->output_orig));
263	+	free_string_field (&(args_info->frame_orig));
264	+	free_string_field (&(args_info->selection_arg));
265	+	free_string_field (&(args_info->selection_orig));
266	+	free_string_field (&(args_info->originsele_arg));
267	+	free_string_field (&(args_info->originsele_orig));
268	+	free_string_field (&(args_info->refsele_arg));
269	+	free_string_field (&(args_info->refsele_orig));
270	+	free_string_field (&(args_info->repeatX_orig));
271	+	free_string_field (&(args_info->repeatY_orig));
272	+	free_string_field (&(args_info->repeatZ_orig));
273	+
274	+
275	+	for (i = 0; i < args_info->inputs_num; ++i)
276	+	free (args_info->inputs [i]);
277	+
278	+	if (args_info->inputs_num)
279	+	free (args_info->inputs);
280	+
281	+	clear_given (args_info);
282	+	}
283	+
284	+
285	+	static void
286	+	write_into_file(FILE *outfile, const char *opt, const char *arg, const char *values[])
287	+	{
288	+	FIX_UNUSED (values);
289	+	if (arg) {
290	+	fprintf(outfile, "%s=\"%s\"\n", opt, arg);
291	+	} else {
292	+	fprintf(outfile, "%s\n", opt);
293	+	}
294	+	}
295	+
296	+
297	+	int
298	+	cmdline_parser_dump(FILE *outfile, struct gengetopt_args_info *args_info)
299	+	{
300	+	int i = 0;
301	+
302	+	if (!outfile)
303	+	{
304	+	fprintf (stderr, "%s: cannot dump options to stream\n", CMDLINE_PARSER_PACKAGE);
305	+	return EXIT_FAILURE;
306	+	}
307	+
308	+	if (args_info->help_given)
309	+	write_into_file(outfile, "help", 0, 0 );
310	+	if (args_info->version_given)
311	+	write_into_file(outfile, "version", 0, 0 );
312	+	if (args_info->input_given)
313	+	write_into_file(outfile, "input", args_info->input_orig, 0);
314	+	if (args_info->output_given)
315	+	write_into_file(outfile, "output", args_info->output_orig, 0);
316	+	if (args_info->frame_given)
317	+	write_into_file(outfile, "frame", args_info->frame_orig, 0);
318	+	if (args_info->water_given)
319	+	write_into_file(outfile, "water", 0, 0 );
320	+	if (args_info->periodicBox_given)
321	+	write_into_file(outfile, "periodicBox", 0, 0 );
322	+	if (args_info->zconstraint_given)
323	+	write_into_file(outfile, "zconstraint", 0, 0 );
324	+	if (args_info->rigidbody_given)
325	+	write_into_file(outfile, "rigidbody", 0, 0 );
326	+	if (args_info->watertype_given)
327	+	write_into_file(outfile, "watertype", 0, 0 );
328	+	if (args_info->selection_given)
329	+	write_into_file(outfile, "selection", args_info->selection_orig, 0);
330	+	if (args_info->originsele_given)
331	+	write_into_file(outfile, "originsele", args_info->originsele_orig, 0);
332	+	if (args_info->refsele_given)
333	+	write_into_file(outfile, "refsele", args_info->refsele_orig, 0);
334	+	if (args_info->repeatX_given)
335	+	write_into_file(outfile, "repeatX", args_info->repeatX_orig, 0);
336	+	if (args_info->repeatY_given)
337	+	write_into_file(outfile, "repeatY", args_info->repeatY_orig, 0);
338	+	if (args_info->repeatZ_given)
339	+	write_into_file(outfile, "repeatZ", args_info->repeatZ_orig, 0);
340	+	if (args_info->basetype_given)
341	+	write_into_file(outfile, "basetype", 0, 0 );
342	+	if (args_info->velocities_given)
343	+	write_into_file(outfile, "velocities", 0, 0 );
344	+	if (args_info->forces_given)
345	+	write_into_file(outfile, "forces", 0, 0 );
346	+	if (args_info->vectors_given)
347	+	write_into_file(outfile, "vectors", 0, 0 );
348	+	if (args_info->charges_given)
349	+	write_into_file(outfile, "charges", 0, 0 );
350	+	if (args_info->efield_given)
351	+	write_into_file(outfile, "efield", 0, 0 );
352	+
353	+
354	+	i = EXIT_SUCCESS;
355	+	return i;
356	+	}
357	+
358	+	int
359	+	cmdline_parser_file_save(const char *filename, struct gengetopt_args_info *args_info)
360	+	{
361	+	FILE *outfile;
362	+	int i = 0;
363	+
364	+	outfile = fopen(filename, "w");
365	+
366	+	if (!outfile)
367	+	{
368	+	fprintf (stderr, "%s: cannot open file for writing: %s\n", CMDLINE_PARSER_PACKAGE, filename);
369	+	return EXIT_FAILURE;
370	+	}
371	+
372	+	i = cmdline_parser_dump(outfile, args_info);
373	+	fclose (outfile);
374	+
375	+	return i;
376	+	}
377	+
378	+	void
379	+	cmdline_parser_free (struct gengetopt_args_info *args_info)
380	+	{
381	+	cmdline_parser_release (args_info);
382	+	}
383	+
384	+	/** @brief replacement of strdup, which is not standard */
385	+	char *
386	+	gengetopt_strdup (const char *s)
387	+	{
388	+	char *result = 0;
389	+	if (!s)
390	+	return result;
391	+
392	+	result = (char*)malloc(strlen(s) + 1);
393	+	if (result == (char*)0)
394	+	return (char*)0;
395	+	strcpy(result, s);
396	+	return result;
397	+	}
398	+
399	+	int
400	+	cmdline_parser (int argc, char **argv, struct gengetopt_args_info *args_info)
401	+	{
402	+	return cmdline_parser2 (argc, argv, args_info, 0, 1, 1);
403	+	}
404	+
405	+	int
406	+	cmdline_parser_ext (int argc, char **argv, struct gengetopt_args_info *args_info,
407	+	struct cmdline_parser_params *params)
408	+	{
409	+	int result;
410	+	result = cmdline_parser_internal (argc, argv, args_info, params, 0);
411	+
412	+	if (result == EXIT_FAILURE)
413	+	{
414	+	cmdline_parser_free (args_info);
415	+	exit (EXIT_FAILURE);
416	+	}
417	+
418	+	return result;
419	+	}
420	+
421	+	int
422	+	cmdline_parser2 (int argc, char **argv, struct gengetopt_args_info *args_info, int override, int initialize, int check_required)
423	+	{
424	+	int result;
425	+	struct cmdline_parser_params params;
426	+
427	+	params.override = override;
428	+	params.initialize = initialize;
429	+	params.check_required = check_required;
430	+	params.check_ambiguity = 0;
431	+	params.print_errors = 1;
432	+
433	+	result = cmdline_parser_internal (argc, argv, args_info, &params, 0);
434	+
435	+	if (result == EXIT_FAILURE)
436	+	{
437	+	cmdline_parser_free (args_info);
438	+	exit (EXIT_FAILURE);
439	+	}
440	+
441	+	return result;
442	+	}
443	+
444	+	int
445	+	cmdline_parser_required (struct gengetopt_args_info *args_info, const char *prog_name)
446	+	{
447	+	int result = EXIT_SUCCESS;
448	+
449	+	if (cmdline_parser_required2(args_info, prog_name, 0) > 0)
450	+	result = EXIT_FAILURE;
451	+
452	+	if (result == EXIT_FAILURE)
453	+	{
454	+	cmdline_parser_free (args_info);
455	+	exit (EXIT_FAILURE);
456	+	}
457	+
458	+	return result;
459	+	}
460	+
461	+	int
462	+	cmdline_parser_required2 (struct gengetopt_args_info *args_info, const char *prog_name, const char *additional_error)
463	+	{
464	+	int error = 0;
465	+	FIX_UNUSED (additional_error);
466	+
467	+	/* checks for required options */
468	+	if (! args_info->input_given)
469	+	{
470	+	fprintf (stderr, "%s: '--input' ('-i') option required%s\n", prog_name, (additional_error ? additional_error : ""));
471	+	error = 1;
472	+	}
473	+
474	+
475	+	/* checks for dependences among options */
476	+
477	+	return error;
478	+	}
479	+
480	+
481	+	static char *package_name = 0;
482	+
483	+	/**
484	+	* @brief updates an option
485	+	* @param field the generic pointer to the field to update
486	+	* @param orig_field the pointer to the orig field
487	+	* @param field_given the pointer to the number of occurrence of this option
488	+	* @param prev_given the pointer to the number of occurrence already seen
489	+	* @param value the argument for this option (if null no arg was specified)
490	+	* @param possible_values the possible values for this option (if specified)
491	+	* @param default_value the default value (in case the option only accepts fixed values)
492	+	* @param arg_type the type of this option
493	+	* @param check_ambiguity @see cmdline_parser_params.check_ambiguity
494	+	* @param override @see cmdline_parser_params.override
495	+	* @param no_free whether to free a possible previous value
496	+	* @param multiple_option whether this is a multiple option
497	+	* @param long_opt the corresponding long option
498	+	* @param short_opt the corresponding short option (or '-' if none)
499	+	* @param additional_error possible further error specification
500	+	*/
501	+	static
502	+	int update_arg(void *field, char **orig_field,
503	+	unsigned int *field_given, unsigned int *prev_given,
504	+	char *value, const char *possible_values[],
505	+	const char *default_value,
506	+	cmdline_parser_arg_type arg_type,
507	+	int check_ambiguity, int override,
508	+	int no_free, int multiple_option,
509	+	const char *long_opt, char short_opt,
510	+	const char *additional_error)
511	+	{
512	+	char *stop_char = 0;
513	+	const char *val = value;
514	+	int found;
515	+	char **string_field;
516	+	FIX_UNUSED (field);
517	+
518	+	stop_char = 0;
519	+	found = 0;
520	+
521	+	if (!multiple_option && prev_given && (*prev_given || (check_ambiguity && *field_given)))
522	+	{
523	+	if (short_opt != '-')
524	+	fprintf (stderr, "%s: `--%s' (`-%c') option given more than once%s\n",
525	+	package_name, long_opt, short_opt,
526	+	(additional_error ? additional_error : ""));
527	+	else
528	+	fprintf (stderr, "%s: `--%s' option given more than once%s\n",
529	+	package_name, long_opt,
530	+	(additional_error ? additional_error : ""));
531	+	return 1; /* failure */
532	+	}
533	+
534	+	FIX_UNUSED (default_value);
535	+
536	+	if (field_given && *field_given && ! override)
537	+	return 0;
538	+	if (prev_given)
539	+	(*prev_given)++;
540	+	if (field_given)
541	+	(*field_given)++;
542	+	if (possible_values)
543	+	val = possible_values[found];
544	+
545	+	switch(arg_type) {
546	+	case ARG_FLAG:
547	+	*((int *)field) = !*((int *)field);
548	+	break;
549	+	case ARG_INT:
550	+	if (val) *((int *)field) = strtol (val, &stop_char, 0);
551	+	break;
552	+	case ARG_STRING:
553	+	if (val) {
554	+	string_field = (char **)field;
555	+	if (!no_free && *string_field)
556	+	free (*string_field); /* free previous string */
557	+	*string_field = gengetopt_strdup (val);
558	+	}
559	+	break;
560	+	default:
561	+	break;
562	+	};
563	+
564	+	/* check numeric conversion */
565	+	switch(arg_type) {
566	+	case ARG_INT:
567	+	if (val && !(stop_char && *stop_char == '\0')) {
568	+	fprintf(stderr, "%s: invalid numeric value: %s\n", package_name, val);
569	+	return 1; /* failure */
570	+	}
571	+	break;
572	+	default:
573	+	;
574	+	};
575	+
576	+	/* store the original value */
577	+	switch(arg_type) {
578	+	case ARG_NO:
579	+	case ARG_FLAG:
580	+	break;
581	+	default:
582	+	if (value && orig_field) {
583	+	if (no_free) {
584	+	*orig_field = value;
585	+	} else {
586	+	if (*orig_field)
587	+	free (*orig_field); /* free previous string */
588	+	*orig_field = gengetopt_strdup (value);
589	+	}
590	+	}
591	+	};
592	+
593	+	return 0; /* OK */
594	+	}
595	+
596	+
597	+	int
598	+	cmdline_parser_internal (
599	+	int argc, char **argv, struct gengetopt_args_info *args_info,
600	+	struct cmdline_parser_params *params, const char *additional_error)
601	+	{
602	+	int c;        /* Character of the parsed option.  */
603	+
604	+	int error = 0;
605	+	struct gengetopt_args_info local_args_info;
606	+
607	+	int override;
608	+	int initialize;
609	+	int check_required;
610	+	int check_ambiguity;
611	+
612	+	package_name = argv[0];
613	+
614	+	override = params->override;
615	+	initialize = params->initialize;
616	+	check_required = params->check_required;
617	+	check_ambiguity = params->check_ambiguity;
618	+
619	+	if (initialize)
620	+	cmdline_parser_init (args_info);
621	+
622	+	cmdline_parser_init (&local_args_info);
623	+
624		optarg = 0;
625	<	optind = 1;
626	<	opterr = 1;
625	>	optind = 0;
626	>	opterr = params->print_errors;
627		optopt = '?';
628
629		while (1)
630		{
631		int option_index = 0;
126	–	char *stop_char;
632
633		static struct option long_options[] = {
634		{ "help",       0, NULL, 'h' },
#	Line 131 | Line 636 | cmdline_parser (int argc, char * const *argv, struct g
636		{ "input",      1, NULL, 'i' },
637		{ "output",     1, NULL, 'o' },
638		{ "frame",      1, NULL, 'n' },
134	–	{ "dipole",     0, NULL, 'd' },
639		{ "water",      0, NULL, 'w' },
640		{ "periodicBox",        0, NULL, 'm' },
641		{ "zconstraint",        0, NULL, 'z' },
642		{ "rigidbody",  0, NULL, 'r' },
643		{ "watertype",  0, NULL, 't' },
644	<	{ "ignore",     1, NULL, 's' },
644	>	{ "selection",  1, NULL, 's' },
645	>	{ "originsele", 1, NULL, 0 },
646	>	{ "refsele",    1, NULL, 0 },
647		{ "repeatX",    1, NULL, 0 },
648		{ "repeatY",    1, NULL, 0 },
649		{ "repeatZ",    1, NULL, 0 },
650	<	{ NULL, 0, NULL, 0 }
650	>	{ "basetype",   0, NULL, 'b' },
651	>	{ "velocities", 0, NULL, 'v' },
652	>	{ "forces",     0, NULL, 'f' },
653	>	{ "vectors",    0, NULL, 'u' },
654	>	{ "charges",    0, NULL, 'c' },
655	>	{ "efield",     0, NULL, 'e' },
656	>	{ 0,  0, 0, 0 }
657		};
658
659	<	stop_char = 0;
148	<	c = getopt_long (argc, argv, "hVi:o:n:dwmzrts:", long_options, &option_index);
659	>	c = getopt_long (argc, argv, "hVi:o:n:wmzrts:bvfuce", long_options, &option_index);
660
661		if (c == -1) break;       /* Exit from `while (1)' loop.  */
662
663		switch (c)
664		{
665		case 'h':       /* Print help and exit.  */
155	–	clear_args ();
666		cmdline_parser_print_help ();
667	+	cmdline_parser_free (&local_args_info);
668		exit (EXIT_SUCCESS);
669
670		case 'V':       /* Print version and exit.  */
160	–	clear_args ();
671		cmdline_parser_print_version ();
672	+	cmdline_parser_free (&local_args_info);
673		exit (EXIT_SUCCESS);
674
675		case 'i':       /* input dump file.  */
676	<	if (args_info->input_given)
677	<	{
678	<	fprintf (stderr, "%s: `--input' (`-i') option given more than once\n", CMDLINE_PARSER_PACKAGE);
679	<	clear_args ();
680	<	exit (EXIT_FAILURE);
681	<	}
682	<	args_info->input_given = 1;
683	<	args_info->input_arg = gengetopt_strdup (optarg);
676	>
677	>
678	>	if (update_arg( (void *)&(args_info->input_arg),
679	>	&(args_info->input_orig), &(args_info->input_given),
680	>	&(local_args_info.input_given), optarg, 0, 0, ARG_STRING,
681	>	check_ambiguity, override, 0, 0,
682	>	"input", 'i',
683	>	additional_error))
684	>	goto failure;
685	>
686		break;
174	–
687		case 'o':       /* output file name.  */
688	<	if (args_info->output_given)
689	<	{
690	<	fprintf (stderr, "%s: `--output' (`-o') option given more than once\n", CMDLINE_PARSER_PACKAGE);
691	<	clear_args ();
692	<	exit (EXIT_FAILURE);
693	<	}
694	<	args_info->output_given = 1;
695	<	args_info->output_arg = gengetopt_strdup (optarg);
688	>
689	>
690	>	if (update_arg( (void *)&(args_info->output_arg),
691	>	&(args_info->output_orig), &(args_info->output_given),
692	>	&(local_args_info.output_given), optarg, 0, 0, ARG_STRING,
693	>	check_ambiguity, override, 0, 0,
694	>	"output", 'o',
695	>	additional_error))
696	>	goto failure;
697	>
698		break;
185	–
699		case 'n':       /* print every n frame.  */
700	<	if (args_info->frame_given)
701	<	{
702	<	fprintf (stderr, "%s: `--frame' (`-n') option given more than once\n", CMDLINE_PARSER_PACKAGE);
703	<	clear_args ();
704	<	exit (EXIT_FAILURE);
705	<	}
706	<	args_info->frame_given = 1;
707	<	args_info->frame_arg = strtol (optarg,&stop_char,0);
700	>
701	>
702	>	if (update_arg( (void *)&(args_info->frame_arg),
703	>	&(args_info->frame_orig), &(args_info->frame_given),
704	>	&(local_args_info.frame_given), optarg, 0, "1", ARG_INT,
705	>	check_ambiguity, override, 0, 0,
706	>	"frame", 'n',
707	>	additional_error))
708	>	goto failure;
709	>
710		break;
196	–
197	–	case 'd':       /* print the dipole moments.  */
198	–	if (args_info->dipole_given)
199	–	{
200	–	fprintf (stderr, "%s: `--dipole' (`-d') option given more than once\n", CMDLINE_PARSER_PACKAGE);
201	–	clear_args ();
202	–	exit (EXIT_FAILURE);
203	–	}
204	–	args_info->dipole_given = 1;
205	–	args_info->dipole_flag = !(args_info->dipole_flag);
206	–	break;
207	–
711		case 'w':       /* skip the the waters.  */
712	<	if (args_info->water_given)
713	<	{
714	<	fprintf (stderr, "%s: `--water' (`-w') option given more than once\n", CMDLINE_PARSER_PACKAGE);
715	<	clear_args ();
716	<	exit (EXIT_FAILURE);
717	<	}
718	<	args_info->water_given = 1;
719	<	args_info->water_flag = !(args_info->water_flag);
712	>
713	>
714	>	if (update_arg((void *)&(args_info->water_flag), 0, &(args_info->water_given),
715	>	&(local_args_info.water_given), optarg, 0, 0, ARG_FLAG,
716	>	check_ambiguity, override, 1, 0, "water", 'w',
717	>	additional_error))
718	>	goto failure;
719	>
720		break;
218	–
721		case 'm':       /* map to the periodic box.  */
722	<	if (args_info->periodicBox_given)
723	<	{
724	<	fprintf (stderr, "%s: `--periodicBox' (`-m') option given more than once\n", CMDLINE_PARSER_PACKAGE);
725	<	clear_args ();
726	<	exit (EXIT_FAILURE);
727	<	}
728	<	args_info->periodicBox_given = 1;
729	<	args_info->periodicBox_flag = !(args_info->periodicBox_flag);
722	>
723	>
724	>	if (update_arg((void *)&(args_info->periodicBox_flag), 0, &(args_info->periodicBox_given),
725	>	&(local_args_info.periodicBox_given), optarg, 0, 0, ARG_FLAG,
726	>	check_ambiguity, override, 1, 0, "periodicBox", 'm',
727	>	additional_error))
728	>	goto failure;
729	>
730		break;
229	–
731		case 'z':       /* replace the atom types of zconstraint molecules.  */
732	<	if (args_info->zconstraint_given)
733	<	{
734	<	fprintf (stderr, "%s: `--zconstraint' (`-z') option given more than once\n", CMDLINE_PARSER_PACKAGE);
735	<	clear_args ();
736	<	exit (EXIT_FAILURE);
737	<	}
738	<	args_info->zconstraint_given = 1;
739	<	args_info->zconstraint_flag = !(args_info->zconstraint_flag);
732	>
733	>
734	>	if (update_arg((void *)&(args_info->zconstraint_flag), 0, &(args_info->zconstraint_given),
735	>	&(local_args_info.zconstraint_given), optarg, 0, 0, ARG_FLAG,
736	>	check_ambiguity, override, 1, 0, "zconstraint", 'z',
737	>	additional_error))
738	>	goto failure;
739	>
740		break;
240	–
741		case 'r':       /* add a pseudo COM atom to rigidbody.  */
742	<	if (args_info->rigidbody_given)
743	<	{
744	<	fprintf (stderr, "%s: `--rigidbody' (`-r') option given more than once\n", CMDLINE_PARSER_PACKAGE);
745	<	clear_args ();
746	<	exit (EXIT_FAILURE);
747	<	}
748	<	args_info->rigidbody_given = 1;
749	<	args_info->rigidbody_flag = !(args_info->rigidbody_flag);
750	<	break;
251	<
742	>
743	>
744	>	if (update_arg((void *)&(args_info->rigidbody_flag), 0, &(args_info->rigidbody_given),
745	>	&(local_args_info.rigidbody_given), optarg, 0, 0, ARG_FLAG,
746	>	check_ambiguity, override, 1, 0, "rigidbody", 'r',
747	>	additional_error))
748	>	goto failure;
749	>
750	>	break;
751		case 't':       /* replace the atom type of water model.  */
752	<	if (args_info->watertype_given)
753	<	{
754	<	fprintf (stderr, "%s: `--watertype' (`-t') option given more than once\n", CMDLINE_PARSER_PACKAGE);
755	<	clear_args ();
756	<	exit (EXIT_FAILURE);
757	<	}
758	<	args_info->watertype_given = 1;
759	<	args_info->watertype_flag = !(args_info->watertype_flag);
752	>
753	>
754	>	if (update_arg((void *)&(args_info->watertype_flag), 0, &(args_info->watertype_given),
755	>	&(local_args_info.watertype_given), optarg, 0, 0, ARG_FLAG,
756	>	check_ambiguity, override, 1, 0, "watertype", 't',
757	>	additional_error))
758	>	goto failure;
759	>
760		break;
761	<
762	<	case 's':       /* ignore the atom types.  */
763	<	args_info->ignore_given++;
764	<	ignore_new = (struct ignore_list *) malloc (sizeof (struct ignore_list));
765	<	ignore_new->next = ignore_list;
766	<	ignore_list = ignore_new;
767	<	ignore_new->ignore_arg = gengetopt_strdup (optarg);
761	>	case 's':       /* general selection syntax.  */
762	>
763	>
764	>	if (update_arg( (void *)&(args_info->selection_arg),
765	>	&(args_info->selection_orig), &(args_info->selection_given),
766	>	&(local_args_info.selection_given), optarg, 0, 0, ARG_STRING,
767	>	check_ambiguity, override, 0, 0,
768	>	"selection", 's',
769	>	additional_error))
770	>	goto failure;
771	>
772		break;
773	+	case 'b':       /* Convert to base atom type.  */
774	+
775	+
776	+	if (update_arg((void *)&(args_info->basetype_flag), 0, &(args_info->basetype_given),
777	+	&(local_args_info.basetype_given), optarg, 0, 0, ARG_FLAG,
778	+	check_ambiguity, override, 1, 0, "basetype", 'b',
779	+	additional_error))
780	+	goto failure;
781	+
782	+	break;
783	+	case 'v':       /* Print velocities in xyz file.  */
784	+
785	+
786	+	if (update_arg((void *)&(args_info->velocities_flag), 0, &(args_info->velocities_given),
787	+	&(local_args_info.velocities_given), optarg, 0, 0, ARG_FLAG,
788	+	check_ambiguity, override, 1, 0, "velocities", 'v',
789	+	additional_error))
790	+	goto failure;
791	+
792	+	break;
793	+	case 'f':       /* Print forces xyz file.  */
794	+
795	+
796	+	if (update_arg((void *)&(args_info->forces_flag), 0, &(args_info->forces_given),
797	+	&(local_args_info.forces_given), optarg, 0, 0, ARG_FLAG,
798	+	check_ambiguity, override, 1, 0, "forces", 'f',
799	+	additional_error))
800	+	goto failure;
801	+
802	+	break;
803	+	case 'u':       /* Print vectors (dipoles, etc) in xyz file.  */
804	+
805	+
806	+	if (update_arg((void *)&(args_info->vectors_flag), 0, &(args_info->vectors_given),
807	+	&(local_args_info.vectors_given), optarg, 0, 0, ARG_FLAG,
808	+	check_ambiguity, override, 1, 0, "vectors", 'u',
809	+	additional_error))
810	+	goto failure;
811	+
812	+	break;
813	+	case 'c':       /* Print charges in xyz file.  */
814	+
815	+
816	+	if (update_arg((void *)&(args_info->charges_flag), 0, &(args_info->charges_given),
817	+	&(local_args_info.charges_given), optarg, 0, 0, ARG_FLAG,
818	+	check_ambiguity, override, 1, 0, "charges", 'c',
819	+	additional_error))
820	+	goto failure;
821	+
822	+	break;
823	+	case 'e':       /* Print electric field vector in xyz file.  */
824	+
825	+
826	+	if (update_arg((void *)&(args_info->efield_flag), 0, &(args_info->efield_given),
827	+	&(local_args_info.efield_given), optarg, 0, 0, ARG_FLAG,
828	+	check_ambiguity, override, 1, 0, "efield", 'e',
829	+	additional_error))
830	+	goto failure;
831	+
832	+	break;
833
271	–
834		case 0: /* Long option with no short option */
835	<	/* The number of images to repeat in the x direction.  */
836	<	if (strcmp (long_options[option_index].name, "repeatX") == 0)
835	>	/* select origin.  */
836	>	if (strcmp (long_options[option_index].name, "originsele") == 0)
837		{
838	<	if (args_info->repeatX_given)
839	<	{
840	<	fprintf (stderr, "%s: `--repeatX' option given more than once\n", CMDLINE_PARSER_PACKAGE);
841	<	clear_args ();
842	<	exit (EXIT_FAILURE);
843	<	}
844	<	args_info->repeatX_given = 1;
845	<	args_info->repeatX_arg = strtol (optarg,&stop_char,0);
846	<	break;
838	>
839	>
840	>	if (update_arg( (void *)&(args_info->originsele_arg),
841	>	&(args_info->originsele_orig), &(args_info->originsele_given),
842	>	&(local_args_info.originsele_given), optarg, 0, 0, ARG_STRING,
843	>	check_ambiguity, override, 0, 0,
844	>	"originsele", '-',
845	>	additional_error))
846	>	goto failure;
847	>
848		}
849	+	/* select reference.  */
850	+	else if (strcmp (long_options[option_index].name, "refsele") == 0)
851	+	{
852
853	+
854	+	if (update_arg( (void *)&(args_info->refsele_arg),
855	+	&(args_info->refsele_orig), &(args_info->refsele_given),
856	+	&(local_args_info.refsele_given), optarg, 0, 0, ARG_STRING,
857	+	check_ambiguity, override, 0, 0,
858	+	"refsele", '-',
859	+	additional_error))
860	+	goto failure;
861	+
862	+	}
863	+	/* The number of images to repeat in the x direction.  */
864	+	else if (strcmp (long_options[option_index].name, "repeatX") == 0)
865	+	{
866	+
867	+
868	+	if (update_arg( (void *)&(args_info->repeatX_arg),
869	+	&(args_info->repeatX_orig), &(args_info->repeatX_given),
870	+	&(local_args_info.repeatX_given), optarg, 0, "0", ARG_INT,
871	+	check_ambiguity, override, 0, 0,
872	+	"repeatX", '-',
873	+	additional_error))
874	+	goto failure;
875	+
876	+	}
877		/* The number of images to repeat in the y direction.  */
878		else if (strcmp (long_options[option_index].name, "repeatY") == 0)
879		{
290	–	if (args_info->repeatY_given)
291	–	{
292	–	fprintf (stderr, "%s: `--repeatY' option given more than once\n", CMDLINE_PARSER_PACKAGE);
293	–	clear_args ();
294	–	exit (EXIT_FAILURE);
295	–	}
296	–	args_info->repeatY_given = 1;
297	–	args_info->repeatY_arg = strtol (optarg,&stop_char,0);
298	–	break;
299	–	}
880
881	+
882	+	if (update_arg( (void *)&(args_info->repeatY_arg),
883	+	&(args_info->repeatY_orig), &(args_info->repeatY_given),
884	+	&(local_args_info.repeatY_given), optarg, 0, "0", ARG_INT,
885	+	check_ambiguity, override, 0, 0,
886	+	"repeatY", '-',
887	+	additional_error))
888	+	goto failure;
889	+
890	+	}
891		/* The number of images to repeat in the z direction.  */
892		else if (strcmp (long_options[option_index].name, "repeatZ") == 0)
893		{
894	<	if (args_info->repeatZ_given)
895	<	{
896	<	fprintf (stderr, "%s: `--repeatZ' option given more than once\n", CMDLINE_PARSER_PACKAGE);
897	<	clear_args ();
898	<	exit (EXIT_FAILURE);
899	<	}
900	<	args_info->repeatZ_given = 1;
901	<	args_info->repeatZ_arg = strtol (optarg,&stop_char,0);
902	<	break;
894	>
895	>
896	>	if (update_arg( (void *)&(args_info->repeatZ_arg),
897	>	&(args_info->repeatZ_orig), &(args_info->repeatZ_given),
898	>	&(local_args_info.repeatZ_given), optarg, 0, "0", ARG_INT,
899	>	check_ambiguity, override, 0, 0,
900	>	"repeatZ", '-',
901	>	additional_error))
902	>	goto failure;
903	>
904		}
905
906	<
906	>	break;
907		case '?':       /* Invalid option.  */
908		/* `getopt_long' already printed an error message.  */
909	<	exit (EXIT_FAILURE);
909	>	goto failure;
910
911		default:        /* bug: option not considered.  */
912	<	fprintf (stderr, "%s: option unknown: %c\n", CMDLINE_PARSER_PACKAGE, c);
912	>	fprintf (stderr, "%s: option unknown: %c%s\n", CMDLINE_PARSER_PACKAGE, c, (additional_error ? additional_error : ""));
913		abort ();
914		} /* switch */
915		} /* while */
916
917
918	<	if (! args_info->input_given)
918	>
919	>	if (check_required)
920		{
921	<	fprintf (stderr, "%s: '--input' ('-i') option required\n", CMDLINE_PARSER_PACKAGE);
330	<	missing_required_options = 1;
921	>	error += cmdline_parser_required2 (args_info, argv[0], additional_error);
922		}
332	–	if ( missing_required_options )
333	–	exit (EXIT_FAILURE);
923
924	<	if (args_info->ignore_given)
924	>	cmdline_parser_release (&local_args_info);
925	>
926	>	if ( error )
927	>	return (EXIT_FAILURE);
928	>
929	>	if (optind < argc)
930		{
931	<	args_info->ignore_arg = (char * *) malloc (args_info->ignore_given * sizeof (char *));
932	<	for (i = 0; i < args_info->ignore_given; i++)
933	<	{
934	<	args_info->ignore_arg [i] = ignore_list->ignore_arg;
935	<	ignore_list = ignore_list->next;
931	>	int i = 0 ;
932	>	int found_prog_name = 0;
933	>	/* whether program name, i.e., argv[0], is in the remaining args
934	>	(this may happen with some implementations of getopt,
935	>	but surely not with the one included by gengetopt) */
936	>
937	>	i = optind;
938	>	while (i < argc)
939	>	if (argv[i++] == argv[0]) {
940	>	found_prog_name = 1;
941	>	break;
942		}
943	+	i = 0;
944	+
945	+	args_info->inputs_num = argc - optind - found_prog_name;
946	+	args_info->inputs =
947	+	(char **)(malloc ((args_info->inputs_num)*sizeof(char *))) ;
948	+	while (optind < argc)
949	+	if (argv[optind++] != argv[0])
950	+	args_info->inputs[ i++ ] = gengetopt_strdup (argv[optind-1]) ;
951		}
952	<
952	>
953		return 0;
954	+
955	+	failure:
956	+
957	+	cmdline_parser_release (&local_args_info);
958	+	return (EXIT_FAILURE);
959		}

Comparing:
trunk/src/applications/dump2Xyz/Dump2XYZCmd.c (property svn:keywords), Revision 12 by tim, Tue Sep 28 23:24:25 2004 UTC vs.
trunk/src/applications/dump2Xyz/Dump2XYZCmd.cpp (property svn:keywords), Revision 1879 by gezelter, Sun Jun 16 15:15:42 2013 UTC

#	Line 0 | Line 1
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