8#ifndef SEQUENTIALPROPSCMD_H
9#define SEQUENTIALPROPSCMD_H
22#ifndef CMDLINE_PARSER_PACKAGE
24#define CMDLINE_PARSER_PACKAGE "SequentialProps"
27#ifndef CMDLINE_PARSER_PACKAGE_NAME
29#define CMDLINE_PARSER_PACKAGE_NAME "SequentialProps"
32#ifndef CMDLINE_PARSER_VERSION
34#define CMDLINE_PARSER_VERSION ""
157 int override,
int initialize,
int check_required);
234 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.
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.
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 comvel_given
Whether comvel was given.
char * sele2_arg
select second stuntdouble set (if sele2 is not set, use script from sele1).
char * nbins_orig
Number of bins original value given at command line.
const char * comvel_help
selection center of mass velocity help description.
unsigned int output_given
Whether output was given.
double centroidX_arg
Location of droplet centroid in x.
unsigned int referenceZ_given
Whether referenceZ was given.
const char * rcut_help
cutoff radius (angstroms) help description.
unsigned int dropletR_given
Whether dropletR was given.
unsigned int threshDens_given
Whether threshDens was given.
char * output_orig
output file name original value given at command line.
const char * output_help
output file name help description.
const char * nbins_help
Number of bins help description.
const char * ca1_help
contact angle of selection (using center of mass) help description.
double bufferLength_arg
Buffer length in angstroms.
char * referenceZ_orig
Reference z-height of solid surface original value given at command line.
const char * sele1_help
select first stuntdouble set help description.
char * bufferLength_orig
Buffer length in angstroms original value given at command line.
double referenceZ_arg
Reference z-height of solid surface.
const char * sele2_help
select second stuntdouble set (if sele2 is not set, use script from sele1) help description.
unsigned inputs_num
unamed options number
const char * gcn_help
Generalized Coordinate Number help description.
unsigned int ca2_given
Whether ca2 was given.
const char * ca2_help
contact angle of selection (using density profile) help description.
const char * referenceZ_help
Reference z-height of solid surface help description.
const char * help_help
Print help and exit help description.
char * threshDens_orig
Threshold Density in g/cm^3 original value given at command line.
char * output_arg
output file name.
unsigned int centroidY_given
Whether centroidY was given.
const char * centroidX_help
Location of droplet centroid in x help description.
const char * threshDens_help
Threshold Density in g/cm^3 help description.
char ** inputs
unamed options (options without names)
const char * centroidY_help
Location of droplet centroid in y help description.
const char * com_help
selection center of mass help description.
unsigned int testequi_given
Whether testequi was given.
char * input_arg
input dump file.
char * nbins_z_orig
number of bins in z axis original value given at command line.
int nbins_z_arg
number of bins in z axis (default='100').
unsigned int sele1_given
Whether sele1 was given.
unsigned int gcn_given
Whether gcn was given.
char * dropletR_orig
Droplet radius in angstroms original value given at command line.
unsigned int com_given
Whether com was given.
double rcut_arg
cutoff radius (angstroms).
int sequentialProps_group_counter
Counter for group sequentialProps.
char * sele2_orig
select second stuntdouble set (if sele2 is not set, use script from sele1) original value given at co...
char * sele1_orig
select first stuntdouble set original value given at command line.
unsigned int ca1_given
Whether ca1 was given.
char * centroidX_orig
Location of droplet centroid in x original value given at command line.
char * sele1_arg
select first stuntdouble set.
double centroidY_arg
Location of droplet centroid in y.
const char * bufferLength_help
Buffer length in angstroms help description.
unsigned int rcut_given
Whether rcut was given.
unsigned int bufferLength_given
Whether bufferLength was given.
unsigned int help_given
Whether help was given.
const char * dropletR_help
Droplet radius in angstroms help description.
double threshDens_arg
Threshold Density in g/cm^3.
unsigned int input_given
Whether input was given.
int nbins_arg
Number of bins (default='100').
const char * testequi_help
Temperature using all componets of linear and angular momentum help description.
unsigned int centroidX_given
Whether centroidX was given.
unsigned int version_given
Whether version was given.
unsigned int sele2_given
Whether sele2 was given.
const char * version_help
Print version and exit help description.
char * centroidY_orig
Location of droplet centroid in y original value given at command line.
char * input_orig
input dump file original value given at command line.
unsigned int nbins_given
Whether nbins was given.
const char * nbins_z_help
number of bins in z axis help description.
double dropletR_arg
Droplet radius in angstroms.
unsigned int nbins_z_given
Whether nbins_z was given.
char * rcut_orig
cutoff radius (angstroms) original value given at command line.
const char * input_help
input dump file help description.