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root/group/trunk/OOPSE-4/src/applications/dump2Xyz/Dump2XYZCmd.h
Revision: 3115
Committed: Tue Jan 16 22:17:27 2007 UTC (17 years, 6 months ago) by chuckv
Content type: text/plain
File size: 4396 byte(s)
Log Message: 
Added printPosOnly to Dump2XYZ as a userbase(BETH) request.

File Contents

# User Rev Content
1 tim 1986 /* Dump2XYZCmd.h */
2 tim 1501
3 chuckv 3115 /* File autogenerated by gengetopt version 2.15 */
4 tim 1501
5 tim 1986 #ifndef DUMP2XYZCMD_H
6     #define DUMP2XYZCMD_H
7 tim 1501
8     /* If we use autoconf. */
9     #ifdef HAVE_CONFIG_H
10     #include "config.h"
11     #endif
12    
13     #ifdef __cplusplus
14     extern "C" {
15     #endif /* __cplusplus */
16    
17     #ifndef CMDLINE_PARSER_PACKAGE
18     #define CMDLINE_PARSER_PACKAGE "Dump2XYZ"
19     #endif
20    
21     #ifndef CMDLINE_PARSER_VERSION
22     #define CMDLINE_PARSER_VERSION "0.99"
23     #endif
24    
25 tim 2240 struct gengetopt_args_info
26     {
27     char * input_arg; /* input dump file. */
28 chuckv 3115 char * input_orig; /* input dump file original value given at command line. */
29 tim 2240 char * output_arg; /* output file name. */
30 chuckv 3115 char * output_orig; /* output file name original value given at command line. */
31 tim 2240 int frame_arg; /* print every n frame (default='1'). */
32 chuckv 3115 char * frame_orig; /* print every n frame original value given at command line. */
33 tim 2240 int water_flag; /* skip the the waters (default=off). */
34     int periodicBox_flag; /* map to the periodic box (default=off). */
35     int zconstraint_flag; /* replace the atom types of zconstraint molecules (default=off). */
36     int rigidbody_flag; /* add a pseudo COM atom to rigidbody (default=off). */
37     int watertype_flag; /* replace the atom type of water model (default=on). */
38     char * selection_arg; /* general selection syntax. */
39 chuckv 3115 char * selection_orig; /* general selection syntax original value given at command line. */
40 tim 2240 char * originsele_arg; /* select origin. */
41 chuckv 3115 char * originsele_orig; /* select origin original value given at command line. */
42 tim 2240 char * refsele_arg; /* select reference. */
43 chuckv 3115 char * refsele_orig; /* select reference original value given at command line. */
44 tim 2240 int repeatX_arg; /* The number of images to repeat in the x direction (default='0'). */
45 chuckv 3115 char * repeatX_orig; /* The number of images to repeat in the x direction original value given at command line. */
46 tim 2240 int repeatY_arg; /* The number of images to repeat in the y direction (default='0'). */
47 chuckv 3115 char * repeatY_orig; /* The number of images to repeat in the y direction original value given at command line. */
48 tim 2240 int repeatZ_arg; /* The number of images to repeat in the z direction (default='0'). */
49 chuckv 3115 char * repeatZ_orig; /* The number of images to repeat in the z direction original value given at command line. */
50 tim 2749 char * gb_arg; /* Replace the Gay-Berne atom with four linear atoms. */
51 chuckv 3115 char * gb_orig; /* Replace the Gay-Berne atom with four linear atoms original value given at command line. */
52 tim 2749 int basetype_flag; /* Convert to base atom type (default=off). */
53 chuckv 3115 int printPosOnly_flag; /* Print only positions in xyz file (default=off). */
54    
55 tim 2240 int help_given ; /* Whether help was given. */
56     int version_given ; /* Whether version was given. */
57     int input_given ; /* Whether input was given. */
58     int output_given ; /* Whether output was given. */
59     int frame_given ; /* Whether frame was given. */
60     int water_given ; /* Whether water was given. */
61     int periodicBox_given ; /* Whether periodicBox was given. */
62     int zconstraint_given ; /* Whether zconstraint was given. */
63     int rigidbody_given ; /* Whether rigidbody was given. */
64     int watertype_given ; /* Whether watertype was given. */
65     int selection_given ; /* Whether selection was given. */
66     int originsele_given ; /* Whether originsele was given. */
67     int refsele_given ; /* Whether refsele was given. */
68     int repeatX_given ; /* Whether repeatX was given. */
69     int repeatY_given ; /* Whether repeatY was given. */
70     int repeatZ_given ; /* Whether repeatZ was given. */
71 tim 2749 int gb_given ; /* Whether gb was given. */
72     int basetype_given ; /* Whether basetype was given. */
73 chuckv 3115 int printPosOnly_given ; /* Whether printPosOnly was given. */
74 tim 1501
75 tim 2240 } ;
76 tim 1501
77 tim 2240 int cmdline_parser (int argc, char * const *argv, struct gengetopt_args_info *args_info);
78 chuckv 3115 int cmdline_parser2 (int argc, char * const *argv, struct gengetopt_args_info *args_info, int override, int initialize, int check_required);
79     int cmdline_parser_file_save(const char *filename, struct gengetopt_args_info *args_info);
80 tim 1501
81 tim 2240 void cmdline_parser_print_help(void);
82     void cmdline_parser_print_version(void);
83 tim 1501
84 chuckv 3115 void cmdline_parser_init (struct gengetopt_args_info *args_info);
85     void cmdline_parser_free (struct gengetopt_args_info *args_info);
86    
87     int cmdline_parser_required (struct gengetopt_args_info *args_info, const char *prog_name);
88    
89    
90 tim 1501 #ifdef __cplusplus
91     }
92     #endif /* __cplusplus */
93 tim 1986 #endif /* DUMP2XYZCMD_H */