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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

# User Rev Content
1 tim 1074 /*
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     }