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root/OpenMD/branches/development/src/applications/nanoparticleBuilder/nanoparticleBuilderCmd.h
Revision: 1077
Committed: Wed Oct 18 19:35:07 2006 UTC (18 years, 7 months ago) by gezelter
Content type: text/plain
Original Path: trunk/src/applications/nanoparticleBuilder/nanoparticleBuilderCmd.h
File size: 2681 byte(s)
Log Message:
bug fixes for vacancies

File Contents

# User Rev Content
1 chuckv 653 /* nanoparticleBuilderCmd.h */
2    
3 gezelter 1077 /* File autogenerated by gengetopt version 2.13.1 */
4 chuckv 653
5     #ifndef NANOPARTICLEBUILDERCMD_H
6     #define NANOPARTICLEBUILDERCMD_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 "nanoparticleBuilder"
19     #endif
20    
21     #ifndef CMDLINE_PARSER_VERSION
22     #define CMDLINE_PARSER_VERSION "1.0"
23     #endif
24    
25     struct gengetopt_args_info
26     {
27     char * output_arg; /* Output file name. */
28 gezelter 1077 double latticeConstant_arg; /* Lattice spacing in Angstroms for cubic lattice.. */
29 chuckv 653 double radius_arg; /* Nanoparticle radius in Angstroms. */
30 gezelter 1077 double* shellRadius_arg; /* Radius containing within it only molecules of a specific component. Specified for each component > 1 in the template file.. */
31     double* molFraction_arg; /* Builds a multi-component random alloy nanoparticle. A mole Fraction must be specified for each component > 1 in the template file.. */
32     double vacancyPercent_arg; /* Percentage of atoms to remove from within vacancy range. */
33     double vacancyInnerRadius_arg; /* Radius arround core-shell where vacancies should be located.. */
34     double vacancyOuterRadius_arg; /* Radius arround core-shell where vacancies should be located.. */
35 chuckv 653
36     int help_given ; /* Whether help was given. */
37     int version_given ; /* Whether version was given. */
38     int output_given ; /* Whether output was given. */
39 gezelter 1077 int latticeConstant_given ; /* Whether latticeConstant was given. */
40 chuckv 653 int radius_given ; /* Whether radius was given. */
41 gezelter 1077 unsigned int shellRadius_given ; /* Whether shellRadius was given. */
42 chuckv 653 unsigned int molFraction_given ; /* Whether molFraction was given. */
43 gezelter 1077 int vacancyPercent_given ; /* Whether vacancyPercent was given. */
44     int vacancyInnerRadius_given ; /* Whether vacancyInnerRadius was given. */
45     int vacancyOuterRadius_given ; /* Whether vacancyOuterRadius was given. */
46 chuckv 653
47     char **inputs ; /* unamed options */
48     unsigned inputs_num ; /* unamed options number */
49     } ;
50    
51     int cmdline_parser (int argc, char * const *argv, struct gengetopt_args_info *args_info);
52     int cmdline_parser2 (int argc, char * const *argv, struct gengetopt_args_info *args_info, int override, int initialize, int check_required);
53    
54     void cmdline_parser_print_help(void);
55     void cmdline_parser_print_version(void);
56    
57     void cmdline_parser_init (struct gengetopt_args_info *args_info);
58     void cmdline_parser_free (struct gengetopt_args_info *args_info);
59    
60     int cmdline_parser_required (struct gengetopt_args_info *args_info, const char *prog_name);
61    
62    
63     #ifdef __cplusplus
64     }
65     #endif /* __cplusplus */
66     #endif /* NANOPARTICLEBUILDERCMD_H */