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/** @file Dump2XYZCmd.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 |
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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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|
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#ifndef DUMP2XYZCMD_H |
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#define DUMP2XYZCMD_H |
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|
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/* If we use autoconf. */ |
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#ifdef HAVE_CONFIG_H |
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#include "config.h" |
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#endif |
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|
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#include <stdio.h> /* for FILE */ |
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|
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#ifdef __cplusplus |
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extern "C" { |
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#endif /* __cplusplus */ |
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|
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#ifndef CMDLINE_PARSER_PACKAGE |
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/** @brief the program name */ |
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#define CMDLINE_PARSER_PACKAGE "Dump2XYZ" |
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#endif |
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|
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#ifndef CMDLINE_PARSER_VERSION |
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/** @brief the program version */ |
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#define CMDLINE_PARSER_VERSION "0.99" |
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#endif |
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|
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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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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 frame_arg; /**< @brief print every n frame (default='1'). */ |
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char * frame_orig; /**< @brief print every n frame original value given at command line. */ |
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const char *frame_help; /**< @brief print every n frame help description. */ |
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int water_flag; /**< @brief skip the the waters (default=off). */ |
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const char *water_help; /**< @brief skip the the waters help description. */ |
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int periodicBox_flag; /**< @brief map to the periodic box (default=off). */ |
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const char *periodicBox_help; /**< @brief map to the periodic box help description. */ |
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int zconstraint_flag; /**< @brief replace the atom types of zconstraint molecules (default=off). */ |
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const char *zconstraint_help; /**< @brief replace the atom types of zconstraint molecules help description. */ |
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int rigidbody_flag; /**< @brief add a pseudo COM atom to rigidbody (default=off). */ |
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const char *rigidbody_help; /**< @brief add a pseudo COM atom to rigidbody help description. */ |
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int watertype_flag; /**< @brief replace the atom type of water model (default=on). */ |
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const char *watertype_help; /**< @brief replace the atom type of water model help description. */ |
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char * selection_arg; /**< @brief general selection syntax. */ |
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char * selection_orig; /**< @brief general selection syntax original value given at command line. */ |
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const char *selection_help; /**< @brief general selection syntax help description. */ |
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char * originsele_arg; /**< @brief select origin. */ |
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char * originsele_orig; /**< @brief select origin original value given at command line. */ |
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const char *originsele_help; /**< @brief select origin help description. */ |
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char * refsele_arg; /**< @brief select reference. */ |
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char * refsele_orig; /**< @brief select reference original value given at command line. */ |
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const char *refsele_help; /**< @brief select reference help description. */ |
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int repeatX_arg; /**< @brief The number of images to repeat in the x direction (default='0'). */ |
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char * repeatX_orig; /**< @brief The number of images to repeat in the x direction original value given at command line. */ |
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const char *repeatX_help; /**< @brief The number of images to repeat in the x direction help description. */ |
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int repeatY_arg; /**< @brief The number of images to repeat in the y direction (default='0'). */ |
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char * repeatY_orig; /**< @brief The number of images to repeat in the y direction original value given at command line. */ |
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const char *repeatY_help; /**< @brief The number of images to repeat in the y direction help description. */ |
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int repeatZ_arg; /**< @brief The number of images to repeat in the z direction (default='0'). */ |
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char * repeatZ_orig; /**< @brief The number of images to repeat in the z direction original value given at command line. */ |
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const char *repeatZ_help; /**< @brief The number of images to repeat in the z direction help description. */ |
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int basetype_flag; /**< @brief Convert to base atom type (default=off). */ |
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const char *basetype_help; /**< @brief Convert to base atom type help description. */ |
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int velocities_flag; /**< @brief Print velocities in xyz file (default=off). */ |
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const char *velocities_help; /**< @brief Print velocities in xyz file help description. */ |
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int forces_flag; /**< @brief Print forces xyz file (default=off). */ |
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const char *forces_help; /**< @brief Print forces xyz file help description. */ |
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int vectors_flag; /**< @brief Print vectors (dipoles, etc) in xyz file (default=off). */ |
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const char *vectors_help; /**< @brief Print vectors (dipoles, etc) in xyz file help description. */ |
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int charges_flag; /**< @brief Print charges in xyz file (default=off). */ |
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const char *charges_help; /**< @brief Print charges in xyz file help description. */ |
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|
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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 frame_given ; /**< @brief Whether frame was given. */ |
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unsigned int water_given ; /**< @brief Whether water was given. */ |
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unsigned int periodicBox_given ; /**< @brief Whether periodicBox was given. */ |
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unsigned int zconstraint_given ; /**< @brief Whether zconstraint was given. */ |
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unsigned int rigidbody_given ; /**< @brief Whether rigidbody was given. */ |
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unsigned int watertype_given ; /**< @brief Whether watertype was given. */ |
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unsigned int selection_given ; /**< @brief Whether selection was given. */ |
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unsigned int originsele_given ; /**< @brief Whether originsele was given. */ |
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unsigned int refsele_given ; /**< @brief Whether refsele was given. */ |
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unsigned int repeatX_given ; /**< @brief Whether repeatX was given. */ |
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unsigned int repeatY_given ; /**< @brief Whether repeatY was given. */ |
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unsigned int repeatZ_given ; /**< @brief Whether repeatZ was given. */ |
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unsigned int basetype_given ; /**< @brief Whether basetype was given. */ |
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unsigned int velocities_given ; /**< @brief Whether velocities was given. */ |
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unsigned int forces_given ; /**< @brief Whether forces was given. */ |
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unsigned int vectors_given ; /**< @brief Whether vectors was given. */ |
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unsigned int charges_given ; /**< @brief Whether charges was given. */ |
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|
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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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} ; |
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|
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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 * const *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 * const *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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*/ |
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int cmdline_parser_ext (int argc, char * const *argv, |
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struct gengetopt_args_info *args_info, |
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struct cmdline_parser_params *params); |
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|
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/** |
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* Save the contents of the option struct into an already open FILE stream. |
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* @param outfile the stream where to dump options |
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* @param args_info the option struct to dump |
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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_dump(FILE *outfile, |
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struct gengetopt_args_info *args_info); |
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|
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/** |
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* Save the contents of the option struct into a (text) file. |
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* This file can be read by the config file parser (if generated by gengetopt) |
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* @param filename the file where to save |
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* @param args_info the option struct to save |
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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_file_save(const char *filename, |
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struct gengetopt_args_info *args_info); |
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|
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/** |
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* Print the help |
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*/ |
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void cmdline_parser_print_help(void); |
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/** |
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* Print the version |
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*/ |
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void cmdline_parser_print_version(void); |
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|
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/** |
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* Initializes all the fields a cmdline_parser_params structure |
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* to their default values |
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* @param params the structure to initialize |
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*/ |
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void cmdline_parser_params_init(struct cmdline_parser_params *params); |
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/** |
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* Allocates dynamically a cmdline_parser_params structure and initializes |
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* all its fields to their default values |
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* @return the created and initialized cmdline_parser_params structure |
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*/ |
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struct cmdline_parser_params *cmdline_parser_params_create(void); |
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|
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/** |
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* Initializes the passed gengetopt_args_info structure's fields |
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* (also set default values for options that have a default) |
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* @param args_info the structure to initialize |
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*/ |
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void cmdline_parser_init (struct gengetopt_args_info *args_info); |
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/** |
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* Deallocates the string fields of the gengetopt_args_info structure |
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* (but does not deallocate the structure itself) |
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* @param args_info the structure to deallocate |
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*/ |
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void cmdline_parser_free (struct gengetopt_args_info *args_info); |
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|
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/** |
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* Checks that all the required options were specified |
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* @param args_info the structure to check |
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* @param prog_name the name of the program that will be used to print |
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* possible errors |
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* @return |
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*/ |
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int cmdline_parser_required (struct gengetopt_args_info *args_info, |
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const char *prog_name); |
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|
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|
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#ifdef __cplusplus |
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} |
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#endif /* __cplusplus */ |
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#endif /* DUMP2XYZCMD_H */ |
