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root/group/trunk/OOPSE-4/src/applications/staticProps/StaticPropsCmd.h
Revision: 3322
Committed: Wed Jan 23 21:21:50 2008 UTC (16 years, 5 months ago) by xsun
Content type: text/plain
File size: 9327 byte(s)
Log Message:
fixed a few correlation functions

File Contents

# Content
1 /* StaticPropsCmd.h */
2
3 /* File autogenerated by gengetopt version 2.19.1 */
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 const char *help_help; /* Print help and exit help description. */
28 const char *version_help; /* Print version and exit help description. */
29 char * input_arg; /* input dump file. */
30 char * input_orig; /* input dump file original value given at command line. */
31 const char *input_help; /* input dump file help description. */
32 char * output_arg; /* output file name. */
33 char * output_orig; /* output file name original value given at command line. */
34 const char *output_help; /* output file name help description. */
35 int step_arg; /* process every n frame (default='1'). */
36 char * step_orig; /* process every n frame original value given at command line. */
37 const char *step_help; /* process every n frame help description. */
38 int nbins_arg; /* number of bins (general purpose) (default='100'). */
39 char * nbins_orig; /* number of bins (general purpose) original value given at command line. */
40 const char *nbins_help; /* number of bins (general purpose) help description. */
41 int nbins_x_arg; /* number of bins in x axis (default='100'). */
42 char * nbins_x_orig; /* number of bins in x axis original value given at command line. */
43 const char *nbins_x_help; /* number of bins in x axis help description. */
44 int nbins_y_arg; /* number of bins in y axis (default='100'). */
45 char * nbins_y_orig; /* number of bins in y axis original value given at command line. */
46 const char *nbins_y_help; /* number of bins in y axis help description. */
47 int nanglebins_arg; /* number of bins for cos(angle) (default='50'). */
48 char * nanglebins_orig; /* number of bins for cos(angle) original value given at command line. */
49 const char *nanglebins_help; /* number of bins for cos(angle) help description. */
50 double length_arg; /* maximum length (Defaults to 1/2 smallest length of first frame). */
51 char * length_orig; /* maximum length (Defaults to 1/2 smallest length of first frame) original value given at command line. */
52 const char *length_help; /* maximum length (Defaults to 1/2 smallest length of first frame) help description. */
53 double rcut_arg; /* cutoff radius (rcut). */
54 char * rcut_orig; /* cutoff radius (rcut) original value given at command line. */
55 const char *rcut_help; /* cutoff radius (rcut) help description. */
56 double zoffset_arg; /* Where to set the zero for the slab_density calculation (default='0'). */
57 char * zoffset_orig; /* Where to set the zero for the slab_density calculation original value given at command line. */
58 const char *zoffset_help; /* Where to set the zero for the slab_density calculation help description. */
59 char * sele1_arg; /* select the first stuntdouble set. */
60 char * sele1_orig; /* select the first stuntdouble set original value given at command line. */
61 const char *sele1_help; /* select the first stuntdouble set help description. */
62 char * sele2_arg; /* select the second stuntdouble set. */
63 char * sele2_orig; /* select the second stuntdouble set original value given at command line. */
64 const char *sele2_help; /* select the second stuntdouble set help description. */
65 char * sele3_arg; /* select the third stuntdouble set. */
66 char * sele3_orig; /* select the third stuntdouble set original value given at command line. */
67 const char *sele3_help; /* select the third stuntdouble set help description. */
68 char * refsele_arg; /* select reference (use and only use with --gxyz). */
69 char * refsele_orig; /* select reference (use and only use with --gxyz) original value given at command line. */
70 const char *refsele_help; /* select reference (use and only use with --gxyz) help description. */
71 char * molname_arg; /* molecule name. */
72 char * molname_orig; /* molecule name original value given at command line. */
73 const char *molname_help; /* molecule name help description. */
74 int begin_arg; /* begin internal index. */
75 char * begin_orig; /* begin internal index original value given at command line. */
76 const char *begin_help; /* begin internal index help description. */
77 int end_arg; /* end internal index. */
78 char * end_orig; /* end internal index original value given at command line. */
79 const char *end_help; /* end internal index help description. */
80 double radius_arg; /* nanoparticle radius. */
81 char * radius_orig; /* nanoparticle radius original value given at command line. */
82 const char *radius_help; /* nanoparticle radius help description. */
83 const char *bo_help; /* bond order parameter (--rcut must be specified) help description. */
84 const char *bor_help; /* bond order parameter as a function of radius (--rcut must be specified) help description. */
85 const char *bad_help; /* N(theta) bond angle density within (--rcut must be specified) help description. */
86 const char *gofr_help; /* g(r) help description. */
87 const char *gofz_help; /* g(z) help description. */
88 const char *r_theta_help; /* g(r, cos(theta)) help description. */
89 const char *r_omega_help; /* g(r, cos(omega)) help description. */
90 const char *theta_omega_help; /* g(cos(theta), cos(omega)) help description. */
91 const char *gxyz_help; /* g(x, y, z) help description. */
92 const char *p2_help; /* p2 order parameter (--sele1 and --sele2 must be specified) help description. */
93 const char *rp2_help; /* rp2 order parameter (--sele1 and --sele2 must be specified) help description. */
94 const char *scd_help; /* scd order parameter (either --sele1, --sele2, --sele3 are specified or --molname, --begin, --end are specified) help description. */
95 const char *density_help; /* density plot help description. */
96 const char *slab_density_help; /* slab density help description. */
97 const char *hxy_help; /* hxy help description. */
98 const char *rho_r_help; /* rho of R help description. */
99 const char *hullvol_help; /* hull volume of nanoparticle help description. */
100
101 int help_given ; /* Whether help was given. */
102 int version_given ; /* Whether version was given. */
103 int input_given ; /* Whether input was given. */
104 int output_given ; /* Whether output was given. */
105 int step_given ; /* Whether step was given. */
106 int nbins_given ; /* Whether nbins was given. */
107 int nbins_x_given ; /* Whether nbins_x was given. */
108 int nbins_y_given ; /* Whether nbins_y was given. */
109 int nanglebins_given ; /* Whether nanglebins was given. */
110 int length_given ; /* Whether length was given. */
111 int rcut_given ; /* Whether rcut was given. */
112 int zoffset_given ; /* Whether zoffset was given. */
113 int sele1_given ; /* Whether sele1 was given. */
114 int sele2_given ; /* Whether sele2 was given. */
115 int sele3_given ; /* Whether sele3 was given. */
116 int refsele_given ; /* Whether refsele was given. */
117 int molname_given ; /* Whether molname was given. */
118 int begin_given ; /* Whether begin was given. */
119 int end_given ; /* Whether end was given. */
120 int radius_given ; /* Whether radius was given. */
121 int bo_given ; /* Whether bo was given. */
122 int bor_given ; /* Whether bor was given. */
123 int bad_given ; /* Whether bad was given. */
124 int gofr_given ; /* Whether gofr was given. */
125 int gofz_given ; /* Whether gofz was given. */
126 int r_theta_given ; /* Whether r_theta was given. */
127 int r_omega_given ; /* Whether r_omega was given. */
128 int theta_omega_given ; /* Whether theta_omega was given. */
129 int gxyz_given ; /* Whether gxyz was given. */
130 int p2_given ; /* Whether p2 was given. */
131 int rp2_given ; /* Whether rp2 was given. */
132 int scd_given ; /* Whether scd was given. */
133 int density_given ; /* Whether density was given. */
134 int slab_density_given ; /* Whether slab_density was given. */
135 int hxy_given ; /* Whether hxy was given. */
136 int rho_r_given ; /* Whether rho_r was given. */
137 int hullvol_given ; /* Whether hullvol was given. */
138
139 char **inputs ; /* unamed options */
140 unsigned inputs_num ; /* unamed options number */
141 int staticProps_group_counter; /* counter for group staticProps */
142 } ;
143
144 extern const char *gengetopt_args_info_purpose;
145 extern const char *gengetopt_args_info_usage;
146 extern const char *gengetopt_args_info_help[];
147
148 int cmdline_parser (int argc, char * const *argv,
149 struct gengetopt_args_info *args_info);
150 int cmdline_parser2 (int argc, char * const *argv,
151 struct gengetopt_args_info *args_info,
152 int override, int initialize, int check_required);
153 int cmdline_parser_file_save(const char *filename,
154 struct gengetopt_args_info *args_info);
155
156 void cmdline_parser_print_help(void);
157 void cmdline_parser_print_version(void);
158
159 void cmdline_parser_init (struct gengetopt_args_info *args_info);
160 void cmdline_parser_free (struct gengetopt_args_info *args_info);
161
162 int cmdline_parser_required (struct gengetopt_args_info *args_info,
163 const char *prog_name);
164
165
166 #ifdef __cplusplus
167 }
168 #endif /* __cplusplus */
169 #endif /* STATICPROPSCMD_H */