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/* StaticPropsCmd.h */ |
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/** @file StaticPropsCmd.h |
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* @brief The header file for the command line option parser |
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* generated by GNU Gengetopt version 2.22.4 |
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* http://www.gnu.org/software/gengetopt. |
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* DO NOT modify this file, since it can be overwritten |
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* @author GNU Gengetopt by Lorenzo Bettini */ |
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/* File autogenerated by gengetopt version 2.16 */ |
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#ifndef STATICPROPSCMD_H |
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#define STATICPROPSCMD_H |
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#include "config.h" |
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#endif |
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#include <stdio.h> /* for FILE */ |
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#ifdef __cplusplus |
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extern "C" { |
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#endif /* __cplusplus */ |
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#ifndef CMDLINE_PARSER_PACKAGE |
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/** @brief the program name (used for printing errors) */ |
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#define CMDLINE_PARSER_PACKAGE "StaticProps" |
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#endif |
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#ifndef CMDLINE_PARSER_PACKAGE_NAME |
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/** @brief the complete program name (used for help and version) */ |
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#define CMDLINE_PARSER_PACKAGE_NAME "StaticProps" |
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#endif |
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#ifndef CMDLINE_PARSER_VERSION |
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/** @brief the program version */ |
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#define CMDLINE_PARSER_VERSION "1.00" |
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#endif |
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/** @brief Where the command line options are stored */ |
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struct gengetopt_args_info |
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{ |
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char * input_arg; /* input dump file. */ |
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char * input_orig; /* input dump file original value given at command line. */ |
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char * output_arg; /* output file name. */ |
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char * output_orig; /* output file name original value given at command line. */ |
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int step_arg; /* process every n frame (default='1'). */ |
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char * step_orig; /* process every n frame original value given at command line. */ |
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int nrbins_arg; /* number of bins for distance (default='100'). */ |
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char * nrbins_orig; /* number of bins for distance original value given at command line. */ |
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int nbins_x_arg; /* number of bins in x axis (default='100'). */ |
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char * nbins_x_orig; /* number of bins in x axis original value given at command line. */ |
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int nbins_y_arg; /* number of bins in y axis (default='100'). */ |
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char * nbins_y_orig; /* number of bins in y axis original value given at command line. */ |
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int nanglebins_arg; /* number of bins for cos(angle) (default='50'). */ |
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char * nanglebins_orig; /* number of bins for cos(angle) original value given at command line. */ |
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double length_arg; /* maximum length (Defaults to 1/2 smallest length of first frame). */ |
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char * length_orig; /* maximum length (Defaults to 1/2 smallest length of first frame) original value given at command line. */ |
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double zoffset_arg; /* Where to set the zero for the slab_density calculation (default='0'). */ |
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char * zoffset_orig; /* Where to set the zero for the slab_density calculation original value given at command line. */ |
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char * sele1_arg; /* select the first stuntdouble set. */ |
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char * sele1_orig; /* select the first stuntdouble set original value given at command line. */ |
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char * sele2_arg; /* select the second stuntdouble set. */ |
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char * sele2_orig; /* select the second stuntdouble set original value given at command line. */ |
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char * sele3_arg; /* select the third stuntdouble set. */ |
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char * sele3_orig; /* select the third stuntdouble set original value given at command line. */ |
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char * refsele_arg; /* select reference (use and only use with --gxyz). */ |
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char * refsele_orig; /* select reference (use and only use with --gxyz) original value given at command line. */ |
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char * molname_arg; /* molecule name. */ |
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char * molname_orig; /* molecule name original value given at command line. */ |
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int begin_arg; /* begin interanl index. */ |
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char * begin_orig; /* begin interanl index original value given at command line. */ |
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int end_arg; /* end internal index. */ |
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char * end_orig; /* end internal index original value given at command line. */ |
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const char *help_help; /**< @brief Print help and exit help description. */ |
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const char *version_help; /**< @brief Print version and exit help description. */ |
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char * input_arg; /**< @brief input dump file. */ |
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char * input_orig; /**< @brief input dump file original value given at command line. */ |
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const char *input_help; /**< @brief input dump file help description. */ |
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char * output_arg; /**< @brief output file name. */ |
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char * output_orig; /**< @brief output file name original value given at command line. */ |
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const char *output_help; /**< @brief output file name help description. */ |
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int step_arg; /**< @brief process every n frame (default='1'). */ |
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char * step_orig; /**< @brief process every n frame original value given at command line. */ |
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const char *step_help; /**< @brief process every n frame help description. */ |
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int nbins_arg; /**< @brief number of bins (general purpose) (default='100'). */ |
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char * nbins_orig; /**< @brief number of bins (general purpose) original value given at command line. */ |
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const char *nbins_help; /**< @brief number of bins (general purpose) help description. */ |
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int nbins_x_arg; /**< @brief number of bins in x axis (default='100'). */ |
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char * nbins_x_orig; /**< @brief number of bins in x axis original value given at command line. */ |
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const char *nbins_x_help; /**< @brief number of bins in x axis help description. */ |
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int nbins_y_arg; /**< @brief number of bins in y axis (default='100'). */ |
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char * nbins_y_orig; /**< @brief number of bins in y axis original value given at command line. */ |
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const char *nbins_y_help; /**< @brief number of bins in y axis help description. */ |
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int nbins_z_arg; /**< @brief number of bins in z axis (default='100'). */ |
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char * nbins_z_orig; /**< @brief number of bins in z axis original value given at command line. */ |
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const char *nbins_z_help; /**< @brief number of bins in z axis help description. */ |
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int nanglebins_arg; /**< @brief number of bins for cos(angle) (default='50'). */ |
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char * nanglebins_orig; /**< @brief number of bins for cos(angle) original value given at command line. */ |
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const char *nanglebins_help; /**< @brief number of bins for cos(angle) help description. */ |
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double rcut_arg; /**< @brief cutoff radius (rcut). */ |
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char * rcut_orig; /**< @brief cutoff radius (rcut) original value given at command line. */ |
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const char *rcut_help; /**< @brief cutoff radius (rcut) help description. */ |
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double dz_arg; /**< @brief slab width (dz). */ |
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char * dz_orig; /**< @brief slab width (dz) original value given at command line. */ |
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const char *dz_help; /**< @brief slab width (dz) help description. */ |
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double length_arg; /**< @brief maximum length (Defaults to 1/2 smallest length of first frame). */ |
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char * length_orig; /**< @brief maximum length (Defaults to 1/2 smallest length of first frame) original value given at command line. */ |
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const char *length_help; /**< @brief maximum length (Defaults to 1/2 smallest length of first frame) help description. */ |
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double zlength_arg; /**< @brief maximum length (Defaults to 1/2 smallest length of first frame). */ |
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char * zlength_orig; /**< @brief maximum length (Defaults to 1/2 smallest length of first frame) original value given at command line. */ |
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const char *zlength_help; /**< @brief maximum length (Defaults to 1/2 smallest length of first frame) help description. */ |
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double zoffset_arg; /**< @brief Where to set the zero for the slab_density calculation (default='0'). */ |
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char * zoffset_orig; /**< @brief Where to set the zero for the slab_density calculation original value given at command line. */ |
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const char *zoffset_help; /**< @brief Where to set the zero for the slab_density calculation help description. */ |
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char * sele1_arg; /**< @brief select the first stuntdouble set. */ |
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char * sele1_orig; /**< @brief select the first stuntdouble set original value given at command line. */ |
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const char *sele1_help; /**< @brief select the first stuntdouble set help description. */ |
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char * sele2_arg; /**< @brief select the second stuntdouble set. */ |
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char * sele2_orig; /**< @brief select the second stuntdouble set original value given at command line. */ |
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const char *sele2_help; /**< @brief select the second stuntdouble set help description. */ |
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char * sele3_arg; /**< @brief select the third stuntdouble set. */ |
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char * sele3_orig; /**< @brief select the third stuntdouble set original value given at command line. */ |
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const char *sele3_help; /**< @brief select the third stuntdouble set help description. */ |
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char * refsele_arg; /**< @brief select reference (use and only use with --gxyz). */ |
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char * refsele_orig; /**< @brief select reference (use and only use with --gxyz) original value given at command line. */ |
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const char *refsele_help; /**< @brief select reference (use and only use with --gxyz) help description. */ |
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char * comsele_arg; /**< @brief select stunt doubles for center-of-mass reference point. */ |
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char * comsele_orig; /**< @brief select stunt doubles for center-of-mass reference point original value given at command line. */ |
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const char *comsele_help; /**< @brief select stunt doubles for center-of-mass reference point help description. */ |
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char * molname_arg; /**< @brief molecule name. */ |
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char * molname_orig; /**< @brief molecule name original value given at command line. */ |
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const char *molname_help; /**< @brief molecule name help description. */ |
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int begin_arg; /**< @brief begin internal index. */ |
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char * begin_orig; /**< @brief begin internal index original value given at command line. */ |
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const char *begin_help; /**< @brief begin internal index help description. */ |
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int end_arg; /**< @brief end internal index. */ |
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char * end_orig; /**< @brief end internal index original value given at command line. */ |
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const char *end_help; /**< @brief end internal index help description. */ |
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double radius_arg; /**< @brief nanoparticle radius. */ |
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char * radius_orig; /**< @brief nanoparticle radius original value given at command line. */ |
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const char *radius_help; /**< @brief nanoparticle radius help description. */ |
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const char *bo_help; /**< @brief bond order parameter (--rcut must be specified) help description. */ |
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const char *bor_help; /**< @brief bond order parameter as a function of radius (--rcut must be specified) help description. */ |
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const char *bad_help; /**< @brief N(theta) bond angle density within (--rcut must be specified) help description. */ |
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const char *count_help; /**< @brief count of molecules matching selection criteria (and associated statistics) help description. */ |
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const char *gofr_help; /**< @brief g(r) help description. */ |
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const char *gofz_help; /**< @brief g(z) help description. */ |
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const char *r_theta_help; /**< @brief g(r, cos(theta)) help description. */ |
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const char *r_omega_help; /**< @brief g(r, cos(omega)) help description. */ |
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const char *r_z_help; /**< @brief g(r, z) help description. */ |
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const char *theta_omega_help; /**< @brief g(cos(theta), cos(omega)) help description. */ |
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const char *gxyz_help; /**< @brief g(x, y, z) help description. */ |
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const char *twodgofr_help; /**< @brief 2D g(r) (Slab width --dz must be specified) help description. */ |
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const char *p2_help; /**< @brief p2 order parameter (--sele1 and --sele2 must be specified) help description. */ |
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const char *rp2_help; /**< @brief rp2 order parameter (--sele1 and --sele2 must be specified) help description. */ |
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const char *scd_help; /**< @brief scd order parameter (either --sele1, --sele2, --sele3 are specified or --molname, --begin, --end are specified) help description. */ |
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const char *density_help; /**< @brief density plot help description. */ |
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const char *slab_density_help; /**< @brief slab density help description. */ |
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const char *p_angle_help; /**< @brief p(cos(theta)) help description. */ |
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const char *hxy_help; /**< @brief hxy help description. */ |
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const char *rho_r_help; /**< @brief rho of R help description. */ |
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const char *angle_r_help; /**< @brief angle of R help description. */ |
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const char *hullvol_help; /**< @brief hull volume of nanoparticle help description. */ |
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const char *tet_param_help; /**< @brief tetrahedrality order parameter help description. */ |
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int help_given ; /* Whether help was given. */ |
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int version_given ; /* Whether version was given. */ |
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int input_given ; /* Whether input was given. */ |
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int output_given ; /* Whether output was given. */ |
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int step_given ; /* Whether step was given. */ |
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int nrbins_given ; /* Whether nrbins was given. */ |
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int nbins_x_given ; /* Whether nbins_x was given. */ |
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int nbins_y_given ; /* Whether nbins_y was given. */ |
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int nanglebins_given ; /* Whether nanglebins was given. */ |
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int length_given ; /* Whether length was given. */ |
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int zoffset_given ; /* Whether zoffset was given. */ |
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int sele1_given ; /* Whether sele1 was given. */ |
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int sele2_given ; /* Whether sele2 was given. */ |
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int sele3_given ; /* Whether sele3 was given. */ |
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int refsele_given ; /* Whether refsele was given. */ |
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int molname_given ; /* Whether molname was given. */ |
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int begin_given ; /* Whether begin was given. */ |
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int end_given ; /* Whether end was given. */ |
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int gofr_given ; /* Whether gofr was given. */ |
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int r_theta_given ; /* Whether r_theta was given. */ |
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int r_omega_given ; /* Whether r_omega was given. */ |
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int theta_omega_given ; /* Whether theta_omega was given. */ |
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int gxyz_given ; /* Whether gxyz was given. */ |
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int p2_given ; /* Whether p2 was given. */ |
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int rp2_given ; /* Whether rp2 was given. */ |
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int scd_given ; /* Whether scd was given. */ |
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int density_given ; /* Whether density was given. */ |
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int slab_density_given ; /* Whether slab_density was given. */ |
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int hxy_given ; /* Whether hxy was given. */ |
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unsigned int help_given ; /**< @brief Whether help was given. */ |
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unsigned int version_given ; /**< @brief Whether version was given. */ |
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unsigned int input_given ; /**< @brief Whether input was given. */ |
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unsigned int output_given ; /**< @brief Whether output was given. */ |
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unsigned int step_given ; /**< @brief Whether step was given. */ |
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unsigned int nbins_given ; /**< @brief Whether nbins was given. */ |
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unsigned int nbins_x_given ; /**< @brief Whether nbins_x was given. */ |
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unsigned int nbins_y_given ; /**< @brief Whether nbins_y was given. */ |
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unsigned int nbins_z_given ; /**< @brief Whether nbins_z was given. */ |
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unsigned int nanglebins_given ; /**< @brief Whether nanglebins was given. */ |
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unsigned int rcut_given ; /**< @brief Whether rcut was given. */ |
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unsigned int dz_given ; /**< @brief Whether dz was given. */ |
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unsigned int length_given ; /**< @brief Whether length was given. */ |
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unsigned int zlength_given ; /**< @brief Whether zlength was given. */ |
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unsigned int zoffset_given ; /**< @brief Whether zoffset was given. */ |
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unsigned int sele1_given ; /**< @brief Whether sele1 was given. */ |
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unsigned int sele2_given ; /**< @brief Whether sele2 was given. */ |
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unsigned int sele3_given ; /**< @brief Whether sele3 was given. */ |
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unsigned int refsele_given ; /**< @brief Whether refsele was given. */ |
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unsigned int comsele_given ; /**< @brief Whether comsele was given. */ |
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unsigned int molname_given ; /**< @brief Whether molname was given. */ |
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unsigned int begin_given ; /**< @brief Whether begin was given. */ |
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unsigned int end_given ; /**< @brief Whether end was given. */ |
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unsigned int radius_given ; /**< @brief Whether radius was given. */ |
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unsigned int bo_given ; /**< @brief Whether bo was given. */ |
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unsigned int bor_given ; /**< @brief Whether bor was given. */ |
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unsigned int bad_given ; /**< @brief Whether bad was given. */ |
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unsigned int count_given ; /**< @brief Whether count was given. */ |
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unsigned int gofr_given ; /**< @brief Whether gofr was given. */ |
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unsigned int gofz_given ; /**< @brief Whether gofz was given. */ |
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unsigned int r_theta_given ; /**< @brief Whether r_theta was given. */ |
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unsigned int r_omega_given ; /**< @brief Whether r_omega was given. */ |
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unsigned int r_z_given ; /**< @brief Whether r_z was given. */ |
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unsigned int theta_omega_given ; /**< @brief Whether theta_omega was given. */ |
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unsigned int gxyz_given ; /**< @brief Whether gxyz was given. */ |
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unsigned int twodgofr_given ; /**< @brief Whether twodgofr was given. */ |
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unsigned int p2_given ; /**< @brief Whether p2 was given. */ |
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unsigned int rp2_given ; /**< @brief Whether rp2 was given. */ |
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unsigned int scd_given ; /**< @brief Whether scd was given. */ |
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unsigned int density_given ; /**< @brief Whether density was given. */ |
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unsigned int slab_density_given ; /**< @brief Whether slab_density was given. */ |
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unsigned int p_angle_given ; /**< @brief Whether p_angle was given. */ |
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unsigned int hxy_given ; /**< @brief Whether hxy was given. */ |
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unsigned int rho_r_given ; /**< @brief Whether rho_r was given. */ |
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unsigned int angle_r_given ; /**< @brief Whether angle_r was given. */ |
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unsigned int hullvol_given ; /**< @brief Whether hullvol was given. */ |
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unsigned int tet_param_given ; /**< @brief Whether tet_param was given. */ |
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int staticProps_group_counter; /* counter for group staticProps */ |
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char **inputs ; /**< @brief unamed options (options without names) */ |
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unsigned inputs_num ; /**< @brief unamed options number */ |
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int staticProps_group_counter; /**< @brief Counter for group staticProps */ |
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} ; |
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int cmdline_parser (int argc, char * const *argv, struct gengetopt_args_info *args_info); |
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int cmdline_parser2 (int argc, char * const *argv, struct gengetopt_args_info *args_info, int override, int initialize, int check_required); |
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int cmdline_parser_file_save(const char *filename, struct gengetopt_args_info *args_info); |
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/** @brief The additional parameters to pass to parser functions */ |
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struct cmdline_parser_params |
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{ |
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int override; /**< @brief whether to override possibly already present options (default 0) */ |
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int initialize; /**< @brief whether to initialize the option structure gengetopt_args_info (default 1) */ |
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int check_required; /**< @brief whether to check that all required options were provided (default 1) */ |
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int check_ambiguity; /**< @brief whether to check for options already specified in the option structure gengetopt_args_info (default 0) */ |
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int print_errors; /**< @brief whether getopt_long should print an error message for a bad option (default 1) */ |
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} ; |
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|
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/** @brief the purpose string of the program */ |
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extern const char *gengetopt_args_info_purpose; |
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/** @brief the usage string of the program */ |
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extern const char *gengetopt_args_info_usage; |
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/** @brief all the lines making the help output */ |
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extern const char *gengetopt_args_info_help[]; |
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|
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/** |
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* The command line parser |
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* @param argc the number of command line options |
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* @param argv the command line options |
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* @param args_info the structure where option information will be stored |
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* @return 0 if everything went fine, NON 0 if an error took place |
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*/ |
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int cmdline_parser (int argc, char **argv, |
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struct gengetopt_args_info *args_info); |
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|
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/** |
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* The command line parser (version with additional parameters - deprecated) |
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* @param argc the number of command line options |
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* @param argv the command line options |
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* @param args_info the structure where option information will be stored |
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* @param override whether to override possibly already present options |
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* @param initialize whether to initialize the option structure my_args_info |
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* @param check_required whether to check that all required options were provided |
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* @return 0 if everything went fine, NON 0 if an error took place |
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* @deprecated use cmdline_parser_ext() instead |
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*/ |
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int cmdline_parser2 (int argc, char **argv, |
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struct gengetopt_args_info *args_info, |
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int override, int initialize, int check_required); |
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|
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/** |
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* The command line parser (version with additional parameters) |
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* @param argc the number of command line options |
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* @param argv the command line options |
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* @param args_info the structure where option information will be stored |
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* @param params additional parameters for the parser |
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* @return 0 if everything went fine, NON 0 if an error took place |
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*/ |
235 |
+ |
int cmdline_parser_ext (int argc, char **argv, |
236 |
+ |
struct gengetopt_args_info *args_info, |
237 |
+ |
struct cmdline_parser_params *params); |
238 |
+ |
|
239 |
+ |
/** |
240 |
+ |
* Save the contents of the option struct into an already open FILE stream. |
241 |
+ |
* @param outfile the stream where to dump options |
242 |
+ |
* @param args_info the option struct to dump |
243 |
+ |
* @return 0 if everything went fine, NON 0 if an error took place |
244 |
+ |
*/ |
245 |
+ |
int cmdline_parser_dump(FILE *outfile, |
246 |
+ |
struct gengetopt_args_info *args_info); |
247 |
+ |
|
248 |
+ |
/** |
249 |
+ |
* Save the contents of the option struct into a (text) file. |
250 |
+ |
* This file can be read by the config file parser (if generated by gengetopt) |
251 |
+ |
* @param filename the file where to save |
252 |
+ |
* @param args_info the option struct to save |
253 |
+ |
* @return 0 if everything went fine, NON 0 if an error took place |
254 |
+ |
*/ |
255 |
+ |
int cmdline_parser_file_save(const char *filename, |
256 |
+ |
struct gengetopt_args_info *args_info); |
257 |
+ |
|
258 |
+ |
/** |
259 |
+ |
* Print the help |
260 |
+ |
*/ |
261 |
|
void cmdline_parser_print_help(void); |
262 |
+ |
/** |
263 |
+ |
* Print the version |
264 |
+ |
*/ |
265 |
|
void cmdline_parser_print_version(void); |
266 |
|
|
267 |
+ |
/** |
268 |
+ |
* Initializes all the fields a cmdline_parser_params structure |
269 |
+ |
* to their default values |
270 |
+ |
* @param params the structure to initialize |
271 |
+ |
*/ |
272 |
+ |
void cmdline_parser_params_init(struct cmdline_parser_params *params); |
273 |
+ |
|
274 |
+ |
/** |
275 |
+ |
* Allocates dynamically a cmdline_parser_params structure and initializes |
276 |
+ |
* all its fields to their default values |
277 |
+ |
* @return the created and initialized cmdline_parser_params structure |
278 |
+ |
*/ |
279 |
+ |
struct cmdline_parser_params *cmdline_parser_params_create(void); |
280 |
+ |
|
281 |
+ |
/** |
282 |
+ |
* Initializes the passed gengetopt_args_info structure's fields |
283 |
+ |
* (also set default values for options that have a default) |
284 |
+ |
* @param args_info the structure to initialize |
285 |
+ |
*/ |
286 |
|
void cmdline_parser_init (struct gengetopt_args_info *args_info); |
287 |
+ |
/** |
288 |
+ |
* Deallocates the string fields of the gengetopt_args_info structure |
289 |
+ |
* (but does not deallocate the structure itself) |
290 |
+ |
* @param args_info the structure to deallocate |
291 |
+ |
*/ |
292 |
|
void cmdline_parser_free (struct gengetopt_args_info *args_info); |
293 |
|
|
294 |
< |
int cmdline_parser_required (struct gengetopt_args_info *args_info, const char *prog_name); |
294 |
> |
/** |
295 |
> |
* Checks that all the required options were specified |
296 |
> |
* @param args_info the structure to check |
297 |
> |
* @param prog_name the name of the program that will be used to print |
298 |
> |
* possible errors |
299 |
> |
* @return |
300 |
> |
*/ |
301 |
> |
int cmdline_parser_required (struct gengetopt_args_info *args_info, |
302 |
> |
const char *prog_name); |
303 |
|
|
304 |
|
|
305 |
|
#ifdef __cplusplus |