| 1 |
/* nanoparticleBuilderCmd.h */ |
| 2 |
|
| 3 |
/* File autogenerated by gengetopt version 2.15 */ |
| 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 |
char * output_orig; /* Output file name original value given at command line. */ |
| 29 |
double latticeCnst_arg; /* Lattice spacing in Angstroms for cubic lattice.. */ |
| 30 |
char * latticeCnst_orig; /* Lattice spacing in Angstroms for cubic lattice. original value given at command line. */ |
| 31 |
double radius_arg; /* Nanoparticle radius in Angstroms. */ |
| 32 |
char * radius_orig; /* Nanoparticle radius in Angstroms original value given at command line. */ |
| 33 |
double* ShellRadius_arg; /* Radius from the center of the particle to start a new shell in multi-component core-shell particle. Specified for each component > 1 in md file.. */ |
| 34 |
char ** ShellRadius_orig; /* Radius from the center of the particle to start a new shell in multi-component core-shell particle. Specified for each component > 1 in md file. original value given at command line. */ |
| 35 |
double* molFraction_arg; /* (Default) Builds a multi-component random mixed nanoparticle. Mole Fraction must be specified for each componet > 1 in MD file.. */ |
| 36 |
char ** molFraction_orig; /* (Default) Builds a multi-component random mixed nanoparticle. Mole Fraction must be specified for each componet > 1 in MD file. original value given at command line. */ |
| 37 |
double vacancyPCT_arg; /* Percentage of vacancies to build. */ |
| 38 |
char * vacancyPCT_orig; /* Percentage of vacancies to build original value given at command line. */ |
| 39 |
double* vacancyRadius_arg; /* Radius arround core-shell where vacancies should be located.. */ |
| 40 |
char ** vacancyRadius_orig; /* Radius arround core-shell where vacancies should be located. original value given at command line. */ |
| 41 |
|
| 42 |
int help_given ; /* Whether help was given. */ |
| 43 |
int version_given ; /* Whether version was given. */ |
| 44 |
int output_given ; /* Whether output was given. */ |
| 45 |
int latticeCnst_given ; /* Whether latticeCnst was given. */ |
| 46 |
int radius_given ; /* Whether radius was given. */ |
| 47 |
unsigned int ShellRadius_given ; /* Whether ShellRadius was given. */ |
| 48 |
unsigned int molFraction_given ; /* Whether molFraction was given. */ |
| 49 |
int vacancyPCT_given ; /* Whether vacancyPCT was given. */ |
| 50 |
unsigned int vacancyRadius_given ; /* Whether vacancyRadius was given. */ |
| 51 |
|
| 52 |
char **inputs ; /* unamed options */ |
| 53 |
unsigned inputs_num ; /* unamed options number */ |
| 54 |
} ; |
| 55 |
|
| 56 |
int cmdline_parser (int argc, char * const *argv, struct gengetopt_args_info *args_info); |
| 57 |
int cmdline_parser2 (int argc, char * const *argv, struct gengetopt_args_info *args_info, int override, int initialize, int check_required); |
| 58 |
int cmdline_parser_file_save(const char *filename, struct gengetopt_args_info *args_info); |
| 59 |
|
| 60 |
void cmdline_parser_print_help(void); |
| 61 |
void cmdline_parser_print_version(void); |
| 62 |
|
| 63 |
void cmdline_parser_init (struct gengetopt_args_info *args_info); |
| 64 |
void cmdline_parser_free (struct gengetopt_args_info *args_info); |
| 65 |
|
| 66 |
int cmdline_parser_required (struct gengetopt_args_info *args_info, const char *prog_name); |
| 67 |
|
| 68 |
|
| 69 |
#ifdef __cplusplus |
| 70 |
} |
| 71 |
#endif /* __cplusplus */ |
| 72 |
#endif /* NANOPARTICLEBUILDERCMD_H */ |
