8#ifndef NANORODBUILDERCMD_H
9#define NANORODBUILDERCMD_H
22#ifndef CMDLINE_PARSER_PACKAGE
24#define CMDLINE_PARSER_PACKAGE "nanorodBuilder"
27#ifndef CMDLINE_PARSER_PACKAGE_NAME
29#define CMDLINE_PARSER_PACKAGE_NAME "nanorodBuilder"
32#ifndef CMDLINE_PARSER_VERSION
34#define CMDLINE_PARSER_VERSION ""
135 int override,
int initialize,
int check_required);
237 const char *prog_name);
int cmdline_parser_dump(FILE *outfile, struct gengetopt_args_info *args_info)
Save the contents of the option struct into an already open FILE stream.
int cmdline_parser(int argc, char **argv, struct gengetopt_args_info *args_info)
The command line parser.
int cmdline_parser_file_save(const char *filename, struct gengetopt_args_info *args_info)
Save the contents of the option struct into a (text) file.
const char * gengetopt_args_info_purpose
the purpose string of the program
const char * gengetopt_args_info_help[]
all the lines making the help output
int cmdline_parser2(int argc, char **argv, struct gengetopt_args_info *args_info, int override, int initialize, int check_required)
The command line parser (version with additional parameters - deprecated)
int cmdline_parser_required(struct gengetopt_args_info *args_info, const char *prog_name)
Checks that all the required options were specified.
void cmdline_parser_print_version(void)
Print the version.
struct cmdline_parser_params * cmdline_parser_params_create(void)
Allocates dynamically a cmdline_parser_params structure and initializes all its fields to their defau...
const char * gengetopt_args_info_usage
the usage string of the program
int cmdline_parser_ext(int argc, char **argv, struct gengetopt_args_info *args_info, struct cmdline_parser_params *params)
The command line parser (version with additional parameters)
void cmdline_parser_init(struct gengetopt_args_info *args_info)
Initializes the passed gengetopt_args_info structure's fields (also set default values for options th...
const char * gengetopt_args_info_description
the description string of the program
void cmdline_parser_print_help(void)
Print the help.
int cmdline_parser_config_file(const char *filename, struct gengetopt_args_info *args_info, struct cmdline_parser_params *params)
The config file parser.
void cmdline_parser_free(struct gengetopt_args_info *args_info)
Deallocates the string fields of the gengetopt_args_info structure (but does not deallocate the struc...
void cmdline_parser_params_init(struct cmdline_parser_params *params)
Initializes all the fields a cmdline_parser_params structure to their default values.
int cmdline_parser_configfile(const char *filename, struct gengetopt_args_info *args_info, int override, int initialize, int check_required)
The config file parser (deprecated version)
The additional parameters to pass to parser functions.
int print_errors
whether getopt_long should print an error message for a bad option (default 1)
int check_required
whether to check that all required options were provided (default 1)
int check_ambiguity
whether to check for options already specified in the option structure gengetopt_args_info (default 0...
int initialize
whether to initialize the option structure gengetopt_args_info (default 1)
Where the command line options are stored.
unsigned int vacancyInnerRadius_given
Whether vacancyInnerRadius was given.
unsigned int output_given
Whether output was given.
const char * ellipsoid_help
Build an Ellipsoid instead of a rod.
char ** molFraction_orig
Builds a multi-component random alloy nanoparticle.
unsigned int latticeConstant_given
Whether latticeConstant was given.
double vacancyPercent_arg
Percentage of atoms to remove from within vacancy range.
const char * radius_help
Nanoparticle radius in Angstroms help description.
char * output_orig
output file name original value given at command line.
const char * output_help
output file name help description.
double vacancyOuterRadius_arg
Radius arround core-shell where vacancies should be located.
const char * molFraction_help
Builds a multi-component random alloy nanoparticle.
unsigned inputs_num
unamed options number
char * vacancyInnerRadius_orig
Radius arround core-shell where vacancies should be located.
const char * vacancyInnerRadius_help
Radius arround core-shell where vacancies should be located.
const char * latticeConstant_help
Lattice spacing in Angstroms for cubic lattice.
unsigned int molFraction_given
Whether molFraction was given.
int ellipsoid_flag
Build an Ellipsoid instead of a rod.
const char * vacancyPercent_help
Percentage of atoms to remove from within vacancy range help description.
double length_arg
maximum length (default='100').
const char * help_help
Print help and exit help description.
double * molFraction_arg
Builds a multi-component random alloy nanoparticle.
char * vacancyPercent_orig
Percentage of atoms to remove from within vacancy range original value given at command line.
char * output_arg
output file name.
char ** inputs
unamed options (options without names)
double * shellRadius_arg
Radius containing within it only molecules of a specific component.
unsigned int molFraction_min
Builds a multi-component random alloy nanoparticle.
unsigned int shellRadius_given
Whether shellRadius was given.
const char * vacancyOuterRadius_help
Radius arround core-shell where vacancies should be located.
char * latticeConstant_orig
Lattice spacing in Angstroms for cubic lattice.
unsigned int length_given
Whether length was given.
unsigned int molFraction_max
Builds a multi-component random alloy nanoparticle.
char * length_orig
maximum length original value given at command line.
double radius_arg
Nanoparticle radius in Angstroms.
unsigned int help_given
Whether help was given.
const char * shellRadius_help
Radius containing within it only molecules of a specific component.
unsigned int ellipsoid_given
Whether ellipsoid was given.
char * vacancyOuterRadius_orig
Radius arround core-shell where vacancies should be located.
unsigned int radius_given
Whether radius was given.
double vacancyInnerRadius_arg
Radius arround core-shell where vacancies should be located.
char * radius_orig
Nanoparticle radius in Angstroms original value given at command line.
unsigned int version_given
Whether version was given.
const char * length_help
maximum length help description.
unsigned int shellRadius_min
Radius containing within it only molecules of a specific component.
const char * version_help
Print version and exit help description.
unsigned int vacancyPercent_given
Whether vacancyPercent was given.
double latticeConstant_arg
Lattice spacing in Angstroms for cubic lattice.
char ** shellRadius_orig
Radius containing within it only molecules of a specific component.
unsigned int shellRadius_max
Radius containing within it only molecules of a specific component.
unsigned int vacancyOuterRadius_given
Whether vacancyOuterRadius was given.