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root/group/trunk/OOPSE/utils/CmdlineZsub.c
Revision: 1074
Committed: Mon Mar 1 20:01:50 2004 UTC (20 years, 4 months ago) by tim
Content type: text/plain
File size: 9430 byte(s)
Log Message:
Adding zsub, a program which can be used to replace atom type for zconstraint into OOPSE

File Contents

# Content
1 /*
2 File autogenerated by gengetopt version 2.11
3 generated with the following command:
4 /home/maul/gezelter/tim/tmp/gengetopt-2.11/src/gengetopt -F CmdlineZsub
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
12 #include <stdio.h>
13 #include <stdlib.h>
14 #include <string.h>
15
16 /* If we use autoconf. */
17 #ifdef HAVE_CONFIG_H
18 #include "config.h"
19 #endif
20
21 #include "getopt.h"
22
23 #include "CmdlineZsub.h"
24
25 void
26 cmdline_parser_print_version (void)
27 {
28 printf ("%s %s\n", CMDLINE_PARSER_PACKAGE, CMDLINE_PARSER_VERSION);
29 }
30
31 void
32 cmdline_parser_print_help (void)
33 {
34 cmdline_parser_print_version ();
35 printf("\n"
36 "Usage: %s [OPTIONS]...\n", CMDLINE_PARSER_PACKAGE);
37 printf("\n");
38 printf(" -h, --help Print help and exit\n");
39 printf(" -V, --version Print version and exit\n");
40 printf(" -i, --input=filename input dump file\n");
41 printf(" -o, --output=STRING output file name\n");
42 printf(" -n, --frame=INT print every n frame (default=`1')\n");
43 printf(" -d, --dipole print the dipole moments (default=off)\n");
44 printf(" -w, --water print the the waters (default=off)\n");
45 printf(" -m, --periodicBox map to the periodic box (default=off)\n");
46 printf(" -r, --replace replace the atom types of zconstraint molecules \n (default=off)\n");
47 printf(" --repeatX=INT The number of images to repeat in the x direction \n (default=`0')\n");
48 printf(" --repeatY=INT The number of images to repeat in the y direction \n (default=`0')\n");
49 printf(" --repeatZ=INT The number of images to repeat in the z direction \n (default=`0')\n");
50 }
51
52
53 static char *gengetopt_strdup (const char *s);
54
55 /* gengetopt_strdup() */
56 /* strdup.c replacement of strdup, which is not standard */
57 char *
58 gengetopt_strdup (const char *s)
59 {
60 char *result = (char*)malloc(strlen(s) + 1);
61 if (result == (char*)0)
62 return (char*)0;
63 strcpy(result, s);
64 return result;
65 }
66
67 int
68 cmdline_parser (int argc, char * const *argv, struct gengetopt_args_info *args_info)
69 {
70 int c; /* Character of the parsed option. */
71 int missing_required_options = 0;
72
73 args_info->help_given = 0 ;
74 args_info->version_given = 0 ;
75 args_info->input_given = 0 ;
76 args_info->output_given = 0 ;
77 args_info->frame_given = 0 ;
78 args_info->dipole_given = 0 ;
79 args_info->water_given = 0 ;
80 args_info->periodicBox_given = 0 ;
81 args_info->replace_given = 0 ;
82 args_info->repeatX_given = 0 ;
83 args_info->repeatY_given = 0 ;
84 args_info->repeatZ_given = 0 ;
85 #define clear_args() { \
86 args_info->input_arg = NULL; \
87 args_info->output_arg = NULL; \
88 args_info->frame_arg = 1 ;\
89 args_info->dipole_flag = 0;\
90 args_info->water_flag = 0;\
91 args_info->periodicBox_flag = 0;\
92 args_info->replace_flag = 0;\
93 args_info->repeatX_arg = 0 ;\
94 args_info->repeatY_arg = 0 ;\
95 args_info->repeatZ_arg = 0 ;\
96 }
97
98 clear_args();
99
100 optarg = 0;
101 optind = 1;
102 opterr = 1;
103 optopt = '?';
104
105 while (1)
106 {
107 int option_index = 0;
108 char *stop_char;
109
110 static struct option long_options[] = {
111 { "help", 0, NULL, 'h' },
112 { "version", 0, NULL, 'V' },
113 { "input", 1, NULL, 'i' },
114 { "output", 1, NULL, 'o' },
115 { "frame", 1, NULL, 'n' },
116 { "dipole", 0, NULL, 'd' },
117 { "water", 0, NULL, 'w' },
118 { "periodicBox", 0, NULL, 'm' },
119 { "replace", 0, NULL, 'r' },
120 { "repeatX", 1, NULL, 0 },
121 { "repeatY", 1, NULL, 0 },
122 { "repeatZ", 1, NULL, 0 },
123 { NULL, 0, NULL, 0 }
124 };
125
126 stop_char = 0;
127 c = getopt_long (argc, argv, "hVi:o:n:dwmr", long_options, &option_index);
128
129 if (c == -1) break; /* Exit from `while (1)' loop. */
130
131 switch (c)
132 {
133 case 'h': /* Print help and exit. */
134 clear_args ();
135 cmdline_parser_print_help ();
136 exit (EXIT_SUCCESS);
137
138 case 'V': /* Print version and exit. */
139 clear_args ();
140 cmdline_parser_print_version ();
141 exit (EXIT_SUCCESS);
142
143 case 'i': /* input dump file. */
144 if (args_info->input_given)
145 {
146 fprintf (stderr, "%s: `--input' (`-i') option given more than once\n", CMDLINE_PARSER_PACKAGE);
147 clear_args ();
148 exit (EXIT_FAILURE);
149 }
150 args_info->input_given = 1;
151 args_info->input_arg = gengetopt_strdup (optarg);
152 break;
153
154 case 'o': /* output file name. */
155 if (args_info->output_given)
156 {
157 fprintf (stderr, "%s: `--output' (`-o') option given more than once\n", CMDLINE_PARSER_PACKAGE);
158 clear_args ();
159 exit (EXIT_FAILURE);
160 }
161 args_info->output_given = 1;
162 args_info->output_arg = gengetopt_strdup (optarg);
163 break;
164
165 case 'n': /* print every n frame. */
166 if (args_info->frame_given)
167 {
168 fprintf (stderr, "%s: `--frame' (`-n') option given more than once\n", CMDLINE_PARSER_PACKAGE);
169 clear_args ();
170 exit (EXIT_FAILURE);
171 }
172 args_info->frame_given = 1;
173 args_info->frame_arg = strtol (optarg,&stop_char,0);
174 break;
175
176 case 'd': /* print the dipole moments. */
177 if (args_info->dipole_given)
178 {
179 fprintf (stderr, "%s: `--dipole' (`-d') option given more than once\n", CMDLINE_PARSER_PACKAGE);
180 clear_args ();
181 exit (EXIT_FAILURE);
182 }
183 args_info->dipole_given = 1;
184 args_info->dipole_flag = !(args_info->dipole_flag);
185 break;
186
187 case 'w': /* print the the waters. */
188 if (args_info->water_given)
189 {
190 fprintf (stderr, "%s: `--water' (`-w') option given more than once\n", CMDLINE_PARSER_PACKAGE);
191 clear_args ();
192 exit (EXIT_FAILURE);
193 }
194 args_info->water_given = 1;
195 args_info->water_flag = !(args_info->water_flag);
196 break;
197
198 case 'm': /* map to the periodic box. */
199 if (args_info->periodicBox_given)
200 {
201 fprintf (stderr, "%s: `--periodicBox' (`-m') option given more than once\n", CMDLINE_PARSER_PACKAGE);
202 clear_args ();
203 exit (EXIT_FAILURE);
204 }
205 args_info->periodicBox_given = 1;
206 args_info->periodicBox_flag = !(args_info->periodicBox_flag);
207 break;
208
209 case 'r': /* replace the atom types of zconstraint molecules. */
210 if (args_info->replace_given)
211 {
212 fprintf (stderr, "%s: `--replace' (`-r') option given more than once\n", CMDLINE_PARSER_PACKAGE);
213 clear_args ();
214 exit (EXIT_FAILURE);
215 }
216 args_info->replace_given = 1;
217 args_info->replace_flag = !(args_info->replace_flag);
218 break;
219
220
221 case 0: /* Long option with no short option */
222 /* The number of images to repeat in the x direction. */
223 if (strcmp (long_options[option_index].name, "repeatX") == 0)
224 {
225 if (args_info->repeatX_given)
226 {
227 fprintf (stderr, "%s: `--repeatX' option given more than once\n", CMDLINE_PARSER_PACKAGE);
228 clear_args ();
229 exit (EXIT_FAILURE);
230 }
231 args_info->repeatX_given = 1;
232 args_info->repeatX_arg = strtol (optarg,&stop_char,0);
233 break;
234 }
235
236 /* The number of images to repeat in the y direction. */
237 else if (strcmp (long_options[option_index].name, "repeatY") == 0)
238 {
239 if (args_info->repeatY_given)
240 {
241 fprintf (stderr, "%s: `--repeatY' option given more than once\n", CMDLINE_PARSER_PACKAGE);
242 clear_args ();
243 exit (EXIT_FAILURE);
244 }
245 args_info->repeatY_given = 1;
246 args_info->repeatY_arg = strtol (optarg,&stop_char,0);
247 break;
248 }
249
250 /* The number of images to repeat in the z direction. */
251 else if (strcmp (long_options[option_index].name, "repeatZ") == 0)
252 {
253 if (args_info->repeatZ_given)
254 {
255 fprintf (stderr, "%s: `--repeatZ' option given more than once\n", CMDLINE_PARSER_PACKAGE);
256 clear_args ();
257 exit (EXIT_FAILURE);
258 }
259 args_info->repeatZ_given = 1;
260 args_info->repeatZ_arg = strtol (optarg,&stop_char,0);
261 break;
262 }
263
264
265 case '?': /* Invalid option. */
266 /* `getopt_long' already printed an error message. */
267 exit (EXIT_FAILURE);
268
269 default: /* bug: option not considered. */
270 fprintf (stderr, "%s: option unknown: %c\n", CMDLINE_PARSER_PACKAGE, c);
271 abort ();
272 } /* switch */
273 } /* while */
274
275
276 if (! args_info->input_given)
277 {
278 fprintf (stderr, "%s: '--input' ('-i') option required\n", CMDLINE_PARSER_PACKAGE);
279 missing_required_options = 1;
280 }
281 if ( missing_required_options )
282 exit (EXIT_FAILURE);
283
284 return 0;
285 }