1 |
|
/* Dump2XYZCmd.h */ |
2 |
|
|
3 |
< |
/* File autogenerated by gengetopt version 2.11 */ |
3 |
> |
/* File autogenerated by gengetopt version 2.15 */ |
4 |
|
|
5 |
|
#ifndef DUMP2XYZCMD_H |
6 |
|
#define DUMP2XYZCMD_H |
25 |
|
struct gengetopt_args_info |
26 |
|
{ |
27 |
|
char * input_arg; /* input dump file. */ |
28 |
+ |
char * input_orig; /* input dump file original value given at command line. */ |
29 |
|
char * output_arg; /* output file name. */ |
30 |
+ |
char * output_orig; /* output file name original value given at command line. */ |
31 |
|
int frame_arg; /* print every n frame (default='1'). */ |
32 |
+ |
char * frame_orig; /* print every n frame original value given at command line. */ |
33 |
|
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). */ |
35 |
– |
int basetype_flag; /* using base atom type (default=off). */ |
38 |
|
char * selection_arg; /* general selection syntax. */ |
39 |
+ |
char * selection_orig; /* general selection syntax original value given at command line. */ |
40 |
|
char * originsele_arg; /* select origin. */ |
41 |
+ |
char * originsele_orig; /* select origin original value given at command line. */ |
42 |
|
char * refsele_arg; /* select reference. */ |
43 |
+ |
char * refsele_orig; /* select reference original value given at command line. */ |
44 |
|
int repeatX_arg; /* The number of images to repeat in the x direction (default='0'). */ |
45 |
+ |
char * repeatX_orig; /* The number of images to repeat in the x direction original value given at command line. */ |
46 |
|
int repeatY_arg; /* The number of images to repeat in the y direction (default='0'). */ |
47 |
+ |
char * repeatY_orig; /* The number of images to repeat in the y direction original value given at command line. */ |
48 |
|
int repeatZ_arg; /* The number of images to repeat in the z direction (default='0'). */ |
49 |
< |
|
49 |
> |
char * repeatZ_orig; /* The number of images to repeat in the z direction original value given at command line. */ |
50 |
> |
char * gb_arg; /* Replace the Gay-Berne atom with four linear atoms. */ |
51 |
> |
char * gb_orig; /* Replace the Gay-Berne atom with four linear atoms original value given at command line. */ |
52 |
> |
int basetype_flag; /* Convert to base atom type (default=off). */ |
53 |
> |
int printPosOnly_flag; /* Print only positions in xyz file (default=off). */ |
54 |
> |
|
55 |
|
int help_given ; /* Whether help was given. */ |
56 |
|
int version_given ; /* Whether version was given. */ |
57 |
|
int input_given ; /* Whether input 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. */ |
53 |
– |
int basetype_given ; /* Whether basetype 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 |
+ |
int gb_given ; /* Whether gb was given. */ |
72 |
+ |
int basetype_given ; /* Whether basetype was given. */ |
73 |
+ |
int printPosOnly_given ; /* Whether printPosOnly was given. */ |
74 |
|
|
75 |
|
} ; |
76 |
|
|
77 |
|
int cmdline_parser (int argc, char * const *argv, struct gengetopt_args_info *args_info); |
78 |
+ |
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 |
|
|
81 |
|
void cmdline_parser_print_help(void); |
82 |
|
void cmdline_parser_print_version(void); |
83 |
|
|
84 |
+ |
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 |
|
#ifdef __cplusplus |
91 |
|
} |
92 |
|
#endif /* __cplusplus */ |