ViewVC Help
View File | Revision Log | Show Annotations | View Changeset | Root Listing
root/OpenMD/trunk/src/applications/nanoparticleBuilder/nanoparticleBuilderCmd.h
Revision: 1077
Committed: Wed Oct 18 19:35:07 2006 UTC (18 years, 9 months ago) by gezelter
Content type: text/plain
File size: 2681 byte(s)
Log Message:
bug fixes for vacancies

File Contents

# Content
1 /* nanoparticleBuilderCmd.h */
2
3 /* File autogenerated by gengetopt version 2.13.1 */
4
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 double latticeConstant_arg; /* Lattice spacing in Angstroms for cubic lattice.. */
29 double radius_arg; /* Nanoparticle radius in Angstroms. */
30 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
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 int latticeConstant_given ; /* Whether latticeConstant was given. */
40 int radius_given ; /* Whether radius was given. */
41 unsigned int shellRadius_given ; /* Whether shellRadius was given. */
42 unsigned int molFraction_given ; /* Whether molFraction was given. */
43 int vacancyPercent_given ; /* Whether vacancyPercent was given. */
44 int vacancyInnerRadius_given ; /* Whether vacancyInnerRadius was given. */
45 int vacancyOuterRadius_given ; /* Whether vacancyOuterRadius was given. */
46
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 */