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root/group/trunk/OOPSE-3.0/src/applications/staticProps/StaticPropsCmd.h
Revision: 2751
Committed: Fri May 12 21:34:43 2006 UTC (18 years, 1 month ago) by xsun
Content type: text/plain
File size: 5284 byte(s)
Log Message:
Changes to calculate undulation spectrum

File Contents

# Content
1 /* StaticPropsCmd.h */
2
3 /* File autogenerated by gengetopt version 2.16 */
4
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 #define CMDLINE_PARSER_PACKAGE "StaticProps"
19 #endif
20
21 #ifndef CMDLINE_PARSER_VERSION
22 #define CMDLINE_PARSER_VERSION "1.00"
23 #endif
24
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 step_arg; /* process every n frame (default='1'). */
32 char * step_orig; /* process every n frame original value given at command line. */
33 int nrbins_arg; /* number of bins for distance (default='100'). */
34 char * nrbins_orig; /* number of bins for distance original value given at command line. */
35 int nbins_x_arg; /* number of bins in x axis. */
36 char * nbins_x_orig; /* number of bins in x axis original value given at command line. */
37 int nbins_y_arg; /* number of bins in y axis. */
38 char * nbins_y_orig; /* number of bins in y axis original value given at command line. */
39 int nanglebins_arg; /* number of bins for cos(angle) (default='50'). */
40 char * nanglebins_orig; /* number of bins for cos(angle) original value given at command line. */
41 double length_arg; /* maximum length (Defaults to 1/2 smallest length of first frame). */
42 char * length_orig; /* maximum length (Defaults to 1/2 smallest length of first frame) original value given at command line. */
43 double zoffset_arg; /* Where to set the zero for the slab_density calculation (default='0'). */
44 char * zoffset_orig; /* Where to set the zero for the slab_density calculation original value given at command line. */
45 char * sele1_arg; /* select the first stuntdouble set. */
46 char * sele1_orig; /* select the first stuntdouble set original value given at command line. */
47 char * sele2_arg; /* select the second stuntdouble set. */
48 char * sele2_orig; /* select the second stuntdouble set original value given at command line. */
49 char * sele3_arg; /* select the third stuntdouble set. */
50 char * sele3_orig; /* select the third stuntdouble set original value given at command line. */
51 char * refsele_arg; /* select reference (use and only use with --gxyz). */
52 char * refsele_orig; /* select reference (use and only use with --gxyz) original value given at command line. */
53 char * molname_arg; /* molecule name. */
54 char * molname_orig; /* molecule name original value given at command line. */
55 int begin_arg; /* begin interanl index. */
56 char * begin_orig; /* begin interanl index original value given at command line. */
57 int end_arg; /* end internal index. */
58 char * end_orig; /* end internal index original value given at command line. */
59
60 int help_given ; /* Whether help was given. */
61 int version_given ; /* Whether version was given. */
62 int input_given ; /* Whether input was given. */
63 int output_given ; /* Whether output was given. */
64 int step_given ; /* Whether step was given. */
65 int nbins_x_given; /* Whether nbins_x was given */
66 int nbins_y_given; /* Whether nbins_y was given */
67 int nrbins_given ; /* Whether nrbins was given. */
68 int nanglebins_given ; /* Whether nanglebins was given. */
69 int length_given ; /* Whether length was given. */
70 int zoffset_given ; /* Whether zoffset was given. */
71 int sele1_given ; /* Whether sele1 was given. */
72 int sele2_given ; /* Whether sele2 was given. */
73 int sele3_given ; /* Whether sele3 was given. */
74 int refsele_given ; /* Whether refsele was given. */
75 int molname_given ; /* Whether molname was given. */
76 int begin_given ; /* Whether begin was given. */
77 int end_given ; /* Whether end was given. */
78 int gofr_given ; /* Whether gofr was given. */
79 int r_theta_given ; /* Whether r_theta was given. */
80 int r_omega_given ; /* Whether r_omega was given. */
81 int theta_omega_given ; /* Whether theta_omega was given. */
82 int gxyz_given ; /* Whether gxyz was given. */
83 int p2_given ; /* Whether p2 was given. */
84 int scd_given ; /* Whether scd was given. */
85 int density_given ; /* Whether density was given. */
86 int slab_density_given ; /* Whether slab_density was given. */
87 int hxy_given; /*Whether hxy was given. */
88
89 int staticProps_group_counter; /* counter for group staticProps */
90 } ;
91
92 int cmdline_parser (int argc, char * const *argv, struct gengetopt_args_info *args_info);
93 int cmdline_parser2 (int argc, char * const *argv, struct gengetopt_args_info *args_info, int override, int initialize, int check_required);
94 int cmdline_parser_file_save(const char *filename, struct gengetopt_args_info *args_info);
95
96 void cmdline_parser_print_help(void);
97 void cmdline_parser_print_version(void);
98
99 void cmdline_parser_init (struct gengetopt_args_info *args_info);
100 void cmdline_parser_free (struct gengetopt_args_info *args_info);
101
102 int cmdline_parser_required (struct gengetopt_args_info *args_info, const char *prog_name);
103
104
105 #ifdef __cplusplus
106 }
107 #endif /* __cplusplus */
108 #endif /* STATICPROPSCMD_H */