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root/group/trunk/OOPSE-4/src/applications/staticProps/StaticPropsCmd.h
Revision: 3128
Committed: Wed Apr 11 23:27:20 2007 UTC (17 years, 2 months ago) by chuckv
Content type: text/plain
File size: 8926 byte(s)
Log Message: 
Added Bond Order Parameter as a function of radius.

File Contents

# User Rev Content
1 tim 1995 /* StaticPropsCmd.h */
2 tim 1994
3 chuckv 3128 /* File autogenerated by gengetopt version 2.19.1 */
4 tim 1994
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 1995 #define CMDLINE_PARSER_PACKAGE "StaticProps"
19 tim 1994 #endif
20    
21     #ifndef CMDLINE_PARSER_VERSION
22     #define CMDLINE_PARSER_VERSION "1.00"
23     #endif
24    
25 tim 2240 struct gengetopt_args_info
26     {
27 chuckv 3128 const char *help_help; /* Print help and exit help description. */
28     const char *version_help; /* Print version and exit help description. */
29 tim 2240 char * input_arg; /* input dump file. */
30 gezelter 2701 char * input_orig; /* input dump file original value given at command line. */
31 chuckv 3128 const char *input_help; /* input dump file help description. */
32 tim 2240 char * output_arg; /* output file name. */
33 gezelter 2701 char * output_orig; /* output file name original value given at command line. */
34 chuckv 3128 const char *output_help; /* output file name help description. */
35 tim 2240 int step_arg; /* process every n frame (default='1'). */
36 gezelter 2701 char * step_orig; /* process every n frame original value given at command line. */
37 chuckv 3128 const char *step_help; /* process every n frame help description. */
38 gezelter 3009 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 chuckv 3128 const char *nbins_help; /* number of bins (general purpose) help description. */
41 xsun 2763 int nbins_x_arg; /* number of bins in x axis (default='100'). */
42 xsun 2751 char * nbins_x_orig; /* number of bins in x axis original value given at command line. */
43 chuckv 3128 const char *nbins_x_help; /* number of bins in x axis help description. */
44 xsun 2763 int nbins_y_arg; /* number of bins in y axis (default='100'). */
45 xsun 2751 char * nbins_y_orig; /* number of bins in y axis original value given at command line. */
46 chuckv 3128 const char *nbins_y_help; /* number of bins in y axis help description. */
47 tim 2240 int nanglebins_arg; /* number of bins for cos(angle) (default='50'). */
48 gezelter 2701 char * nanglebins_orig; /* number of bins for cos(angle) original value given at command line. */
49 chuckv 3128 const char *nanglebins_help; /* number of bins for cos(angle) help description. */
50 tim 2240 double length_arg; /* maximum length (Defaults to 1/2 smallest length of first frame). */
51 gezelter 2701 char * length_orig; /* maximum length (Defaults to 1/2 smallest length of first frame) original value given at command line. */
52 chuckv 3128 const char *length_help; /* maximum length (Defaults to 1/2 smallest length of first frame) help description. */
53 gezelter 3007 double rcut_arg; /* cutoff radius (rcut). */
54     char * rcut_orig; /* cutoff radius (rcut) original value given at command line. */
55 chuckv 3128 const char *rcut_help; /* cutoff radius (rcut) help description. */
56 gezelter 2701 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 chuckv 3128 const char *zoffset_help; /* Where to set the zero for the slab_density calculation help description. */
59 tim 2241 char * sele1_arg; /* select the first stuntdouble set. */
60 gezelter 2701 char * sele1_orig; /* select the first stuntdouble set original value given at command line. */
61 chuckv 3128 const char *sele1_help; /* select the first stuntdouble set help description. */
62 tim 2241 char * sele2_arg; /* select the second stuntdouble set. */
63 gezelter 2701 char * sele2_orig; /* select the second stuntdouble set original value given at command line. */
64 chuckv 3128 const char *sele2_help; /* select the second stuntdouble set help description. */
65 tim 2241 char * sele3_arg; /* select the third stuntdouble set. */
66 gezelter 2701 char * sele3_orig; /* select the third stuntdouble set original value given at command line. */
67 chuckv 3128 const char *sele3_help; /* select the third stuntdouble set help description. */
68 tim 2240 char * refsele_arg; /* select reference (use and only use with --gxyz). */
69 gezelter 2701 char * refsele_orig; /* select reference (use and only use with --gxyz) original value given at command line. */
70 chuckv 3128 const char *refsele_help; /* select reference (use and only use with --gxyz) help description. */
71 tim 2241 char * molname_arg; /* molecule name. */
72 gezelter 2701 char * molname_orig; /* molecule name original value given at command line. */
73 chuckv 3128 const char *molname_help; /* molecule name help description. */
74 gezelter 3007 int begin_arg; /* begin internal index. */
75     char * begin_orig; /* begin internal index original value given at command line. */
76 chuckv 3128 const char *begin_help; /* begin internal index help description. */
77 tim 2241 int end_arg; /* end internal index. */
78 gezelter 2701 char * end_orig; /* end internal index original value given at command line. */
79 chuckv 3128 const char *end_help; /* end internal index help description. */
80 chuckv 3076 double radius_arg; /* nanoparticle radius. */
81     char * radius_orig; /* nanoparticle radius original value given at command line. */
82 chuckv 3128 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 *gofr_help; /* g(r) help description. */
86     const char *r_theta_help; /* g(r, cos(theta)) help description. */
87     const char *r_omega_help; /* g(r, cos(omega)) help description. */
88     const char *theta_omega_help; /* g(cos(theta), cos(omega)) help description. */
89     const char *gxyz_help; /* g(x, y, z) help description. */
90     const char *p2_help; /* p2 order parameter (--sele1 and --sele2 must be specified) help description. */
91     const char *rp2_help; /* rp2 order parameter (--sele1 and --sele2 must be specified) help description. */
92     const char *scd_help; /* scd order parameter (either --sele1, --sele2, --sele3 are specified or --molname, --begin, --end are specified) help description. */
93     const char *density_help; /* density plot help description. */
94     const char *slab_density_help; /* slab density help description. */
95     const char *hxy_help; /* hxy help description. */
96     const char *rho_r_help; /* rho of R help description. */
97 gezelter 2701
98 tim 2240 int help_given ; /* Whether help was given. */
99     int version_given ; /* Whether version was given. */
100     int input_given ; /* Whether input was given. */
101     int output_given ; /* Whether output was given. */
102     int step_given ; /* Whether step was given. */
103 gezelter 3009 int nbins_given ; /* Whether nbins was given. */
104 xsun 2763 int nbins_x_given ; /* Whether nbins_x was given. */
105     int nbins_y_given ; /* Whether nbins_y was given. */
106 tim 2240 int nanglebins_given ; /* Whether nanglebins was given. */
107     int length_given ; /* Whether length was given. */
108 gezelter 3007 int rcut_given ; /* Whether rcut was given. */
109 gezelter 2701 int zoffset_given ; /* Whether zoffset was given. */
110 tim 2240 int sele1_given ; /* Whether sele1 was given. */
111     int sele2_given ; /* Whether sele2 was given. */
112 tim 2241 int sele3_given ; /* Whether sele3 was given. */
113 tim 2240 int refsele_given ; /* Whether refsele was given. */
114 tim 2241 int molname_given ; /* Whether molname was given. */
115     int begin_given ; /* Whether begin was given. */
116     int end_given ; /* Whether end was given. */
117 chuckv 3076 int radius_given ; /* Whether radius was given. */
118 gezelter 3007 int bo_given ; /* Whether bo was given. */
119 chuckv 3128 int bor_given ; /* Whether bor was given. */
120 tim 2240 int gofr_given ; /* Whether gofr was given. */
121     int r_theta_given ; /* Whether r_theta was given. */
122     int r_omega_given ; /* Whether r_omega was given. */
123     int theta_omega_given ; /* Whether theta_omega was given. */
124     int gxyz_given ; /* Whether gxyz was given. */
125     int p2_given ; /* Whether p2 was given. */
126 xsun 2783 int rp2_given ; /* Whether rp2 was given. */
127 tim 2241 int scd_given ; /* Whether scd was given. */
128 tim 2242 int density_given ; /* Whether density was given. */
129 tim 2539 int slab_density_given ; /* Whether slab_density was given. */
130 xsun 2763 int hxy_given ; /* Whether hxy was given. */
131 chuckv 3076 int rho_r_given ; /* Whether rho_r was given. */
132 tim 1994
133 chuckv 3128 char **inputs ; /* unamed options */
134     unsigned inputs_num ; /* unamed options number */
135 gezelter 2701 int staticProps_group_counter; /* counter for group staticProps */
136 tim 2240 } ;
137 tim 1994
138 chuckv 3128 extern const char *gengetopt_args_info_purpose;
139     extern const char *gengetopt_args_info_usage;
140     extern const char *gengetopt_args_info_help[];
141 tim 1994
142 chuckv 3128 int cmdline_parser (int argc, char * const *argv,
143     struct gengetopt_args_info *args_info);
144     int cmdline_parser2 (int argc, char * const *argv,
145     struct gengetopt_args_info *args_info,
146     int override, int initialize, int check_required);
147     int cmdline_parser_file_save(const char *filename,
148     struct gengetopt_args_info *args_info);
149    
150 tim 2240 void cmdline_parser_print_help(void);
151     void cmdline_parser_print_version(void);
152 tim 1994
153 gezelter 2701 void cmdline_parser_init (struct gengetopt_args_info *args_info);
154     void cmdline_parser_free (struct gengetopt_args_info *args_info);
155    
156 chuckv 3128 int cmdline_parser_required (struct gengetopt_args_info *args_info,
157     const char *prog_name);
158 gezelter 2701
159    
160 tim 1994 #ifdef __cplusplus
161     }
162     #endif /* __cplusplus */
163     #endif /* STATICPROPSCMD_H */