1 |
/* shaperCmd.h */ |
2 |
|
3 |
/* File autogenerated by gengetopt version 2.12.1 */ |
4 |
|
5 |
#ifndef SHAPERCMD_H |
6 |
#define SHAPERCMD_H |
7 |
|
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 "shaper" |
19 |
#endif |
20 |
|
21 |
#ifndef CMDLINE_PARSER_VERSION |
22 |
#define CMDLINE_PARSER_VERSION "0.99" |
23 |
#endif |
24 |
|
25 |
struct gengetopt_args_info |
26 |
{ |
27 |
int bandwidth_arg; /* The step detail for the potential grids - typically a power of 2 (default='8'). */ |
28 |
double tolerance_arg; /* The tolerance for recognition of spherical harmonic terms (default='0.01'). */ |
29 |
|
30 |
int help_given ; /* Whether help was given. */ |
31 |
int version_given ; /* Whether version was given. */ |
32 |
int bandwidth_given ; /* Whether bandwidth was given. */ |
33 |
int tolerance_given ; /* Whether tolerance was given. */ |
34 |
int charmm_given ; /* Whether charmm was given. */ |
35 |
int amber_given ; /* Whether amber was given. */ |
36 |
int lj_given ; /* Whether lj was given. */ |
37 |
int gaff_given ; /* Whether gaff was given. */ |
38 |
int opls_given ; /* Whether opls was given. */ |
39 |
|
40 |
char **inputs ; /* unamed options */ |
41 |
unsigned inputs_num ; /* unamed options number */ |
42 |
int ForceField_group_counter; /* counter for group ForceField */ |
43 |
} ; |
44 |
|
45 |
int cmdline_parser (int argc, char * const *argv, struct gengetopt_args_info *args_info); |
46 |
int cmdline_parser2 (int argc, char * const *argv, struct gengetopt_args_info *args_info, int override, int initialize, int check_required); |
47 |
|
48 |
void cmdline_parser_print_help(void); |
49 |
void cmdline_parser_print_version(void); |
50 |
|
51 |
void cmdline_parser_init (struct gengetopt_args_info *args_info); |
52 |
void cmdline_parser_free (struct gengetopt_args_info *args_info); |
53 |
|
54 |
#ifdef __cplusplus |
55 |
} |
56 |
#endif /* __cplusplus */ |
57 |
#endif /* SHAPERCMD_H */ |