1 |
tim |
311 |
/* StaticPropsCmd.h */ |
2 |
tim |
310 |
|
3 |
gezelter |
929 |
/* File autogenerated by gengetopt version 2.16 */ |
4 |
tim |
310 |
|
5 |
|
|
#ifndef STATICPROPSCMD_H |
6 |
|
|
#define STATICPROPSCMD_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 |
tim |
311 |
#define CMDLINE_PARSER_PACKAGE "StaticProps" |
19 |
tim |
310 |
#endif |
20 |
|
|
|
21 |
|
|
#ifndef CMDLINE_PARSER_VERSION |
22 |
|
|
#define CMDLINE_PARSER_VERSION "1.00" |
23 |
|
|
#endif |
24 |
|
|
|
25 |
tim |
543 |
struct gengetopt_args_info |
26 |
|
|
{ |
27 |
|
|
char * input_arg; /* input dump file. */ |
28 |
gezelter |
929 |
char * input_orig; /* input dump file original value given at command line. */ |
29 |
tim |
543 |
char * output_arg; /* output file name. */ |
30 |
gezelter |
929 |
char * output_orig; /* output file name original value given at command line. */ |
31 |
tim |
543 |
int step_arg; /* process every n frame (default='1'). */ |
32 |
gezelter |
929 |
char * step_orig; /* process every n frame original value given at command line. */ |
33 |
tim |
543 |
int nrbins_arg; /* number of bins for distance (default='100'). */ |
34 |
gezelter |
929 |
char * nrbins_orig; /* number of bins for distance original value given at command line. */ |
35 |
tim |
543 |
int nanglebins_arg; /* number of bins for cos(angle) (default='50'). */ |
36 |
gezelter |
929 |
char * nanglebins_orig; /* number of bins for cos(angle) original value given at command line. */ |
37 |
tim |
543 |
double length_arg; /* maximum length (Defaults to 1/2 smallest length of first frame). */ |
38 |
gezelter |
929 |
char * length_orig; /* maximum length (Defaults to 1/2 smallest length of first frame) original value given at command line. */ |
39 |
|
|
double zoffset_arg; /* Where to set the zero for the slab_density calculation (default='0'). */ |
40 |
|
|
char * zoffset_orig; /* Where to set the zero for the slab_density calculation original value given at command line. */ |
41 |
tim |
544 |
char * sele1_arg; /* select the first stuntdouble set. */ |
42 |
gezelter |
929 |
char * sele1_orig; /* select the first stuntdouble set original value given at command line. */ |
43 |
tim |
544 |
char * sele2_arg; /* select the second stuntdouble set. */ |
44 |
gezelter |
929 |
char * sele2_orig; /* select the second stuntdouble set original value given at command line. */ |
45 |
tim |
544 |
char * sele3_arg; /* select the third stuntdouble set. */ |
46 |
gezelter |
929 |
char * sele3_orig; /* select the third stuntdouble set original value given at command line. */ |
47 |
tim |
543 |
char * refsele_arg; /* select reference (use and only use with --gxyz). */ |
48 |
gezelter |
929 |
char * refsele_orig; /* select reference (use and only use with --gxyz) original value given at command line. */ |
49 |
tim |
544 |
char * molname_arg; /* molecule name. */ |
50 |
gezelter |
929 |
char * molname_orig; /* molecule name original value given at command line. */ |
51 |
tim |
544 |
int begin_arg; /* begin interanl index. */ |
52 |
gezelter |
929 |
char * begin_orig; /* begin interanl index original value given at command line. */ |
53 |
tim |
544 |
int end_arg; /* end internal index. */ |
54 |
gezelter |
929 |
char * end_orig; /* end internal index original value given at command line. */ |
55 |
|
|
|
56 |
tim |
543 |
int help_given ; /* Whether help was given. */ |
57 |
|
|
int version_given ; /* Whether version was given. */ |
58 |
|
|
int input_given ; /* Whether input was given. */ |
59 |
|
|
int output_given ; /* Whether output was given. */ |
60 |
|
|
int step_given ; /* Whether step was given. */ |
61 |
|
|
int nrbins_given ; /* Whether nrbins was given. */ |
62 |
|
|
int nanglebins_given ; /* Whether nanglebins was given. */ |
63 |
|
|
int length_given ; /* Whether length was given. */ |
64 |
gezelter |
929 |
int zoffset_given ; /* Whether zoffset was given. */ |
65 |
tim |
543 |
int sele1_given ; /* Whether sele1 was given. */ |
66 |
|
|
int sele2_given ; /* Whether sele2 was given. */ |
67 |
tim |
544 |
int sele3_given ; /* Whether sele3 was given. */ |
68 |
tim |
543 |
int refsele_given ; /* Whether refsele was given. */ |
69 |
tim |
544 |
int molname_given ; /* Whether molname was given. */ |
70 |
|
|
int begin_given ; /* Whether begin was given. */ |
71 |
|
|
int end_given ; /* Whether end was given. */ |
72 |
tim |
543 |
int gofr_given ; /* Whether gofr was given. */ |
73 |
|
|
int r_theta_given ; /* Whether r_theta was given. */ |
74 |
|
|
int r_omega_given ; /* Whether r_omega was given. */ |
75 |
|
|
int theta_omega_given ; /* Whether theta_omega was given. */ |
76 |
|
|
int gxyz_given ; /* Whether gxyz was given. */ |
77 |
|
|
int p2_given ; /* Whether p2 was given. */ |
78 |
tim |
544 |
int scd_given ; /* Whether scd was given. */ |
79 |
tim |
545 |
int density_given ; /* Whether density was given. */ |
80 |
tim |
840 |
int slab_density_given ; /* Whether slab_density was given. */ |
81 |
tim |
310 |
|
82 |
gezelter |
929 |
int staticProps_group_counter; /* counter for group staticProps */ |
83 |
tim |
543 |
} ; |
84 |
tim |
310 |
|
85 |
tim |
543 |
int cmdline_parser (int argc, char * const *argv, struct gengetopt_args_info *args_info); |
86 |
gezelter |
929 |
int cmdline_parser2 (int argc, char * const *argv, struct gengetopt_args_info *args_info, int override, int initialize, int check_required); |
87 |
|
|
int cmdline_parser_file_save(const char *filename, struct gengetopt_args_info *args_info); |
88 |
tim |
310 |
|
89 |
tim |
543 |
void cmdline_parser_print_help(void); |
90 |
|
|
void cmdline_parser_print_version(void); |
91 |
tim |
310 |
|
92 |
gezelter |
929 |
void cmdline_parser_init (struct gengetopt_args_info *args_info); |
93 |
|
|
void cmdline_parser_free (struct gengetopt_args_info *args_info); |
94 |
|
|
|
95 |
|
|
int cmdline_parser_required (struct gengetopt_args_info *args_info, const char *prog_name); |
96 |
|
|
|
97 |
|
|
|
98 |
tim |
310 |
#ifdef __cplusplus |
99 |
|
|
} |
100 |
|
|
#endif /* __cplusplus */ |
101 |
|
|
#endif /* STATICPROPSCMD_H */ |