| 1 | < | /* StaticPropsCmd.h */ | 
| 1 | > | /** @file StaticPropsCmd.h | 
| 2 | > | *  @brief The header file for the command line option parser | 
| 3 | > | *  generated by GNU Gengetopt version 2.22 | 
| 4 | > | *  http://www.gnu.org/software/gengetopt. | 
| 5 | > | *  DO NOT modify this file, since it can be overwritten | 
| 6 | > | *  @author GNU Gengetopt by Lorenzo Bettini */ | 
| 7 |  |  | 
| 3 | – | /* File autogenerated by gengetopt version 2.11  */ | 
| 4 | – |  | 
| 8 |  | #ifndef STATICPROPSCMD_H | 
| 9 |  | #define STATICPROPSCMD_H | 
| 10 |  |  | 
| 13 |  | #include "config.h" | 
| 14 |  | #endif | 
| 15 |  |  | 
| 16 | + | #include <stdio.h> /* for FILE */ | 
| 17 | + |  | 
| 18 |  | #ifdef __cplusplus | 
| 19 |  | extern "C" { | 
| 20 |  | #endif /* __cplusplus */ | 
| 21 |  |  | 
| 22 |  | #ifndef CMDLINE_PARSER_PACKAGE | 
| 23 | + | /** @brief the program name */ | 
| 24 |  | #define CMDLINE_PARSER_PACKAGE "StaticProps" | 
| 25 |  | #endif | 
| 26 |  |  | 
| 27 |  | #ifndef CMDLINE_PARSER_VERSION | 
| 28 | + | /** @brief the program version */ | 
| 29 |  | #define CMDLINE_PARSER_VERSION "1.00" | 
| 30 |  | #endif | 
| 31 |  |  | 
| 32 | + | /** @brief Where the command line options are stored */ | 
| 33 |  | struct gengetopt_args_info | 
| 34 |  | { | 
| 35 | < | char * input_arg;     /* input dump file.  */ | 
| 36 | < | char * output_arg;    /* output file name.  */ | 
| 37 | < | int step_arg; /* process every n frame (default='1').  */ | 
| 38 | < | int nrbins_arg;       /* number of bins for distance (default='100').  */ | 
| 39 | < | int nanglebins_arg;   /* number of bins for cos(angle) (default='50').  */ | 
| 40 | < | double length_arg;    /* maximum length (Defaults to 1/2 smallest length of first frame).  */ | 
| 41 | < | char * sele1_arg;     /* select the first stuntdouble set.  */ | 
| 42 | < | char * sele2_arg;     /* select the second stuntdouble set.  */ | 
| 43 | < | char * sele3_arg;     /* select the third stuntdouble set.  */ | 
| 44 | < | char * refsele_arg;   /* select reference (use and only use with --gxyz).  */ | 
| 45 | < | char * molname_arg;   /* molecule name.  */ | 
| 46 | < | int begin_arg;        /* begin interanl index.  */ | 
| 47 | < | int end_arg;  /* end internal index.  */ | 
| 35 | > | const char *help_help; /**< @brief Print help and exit help description.  */ | 
| 36 | > | const char *version_help; /**< @brief Print version and exit help description.  */ | 
| 37 | > | char * input_arg;     /**< @brief input dump file.  */ | 
| 38 | > | char * input_orig;    /**< @brief input dump file original value given at command line.  */ | 
| 39 | > | const char *input_help; /**< @brief input dump file help description.  */ | 
| 40 | > | char * output_arg;    /**< @brief output file name.  */ | 
| 41 | > | char * output_orig;   /**< @brief output file name original value given at command line.  */ | 
| 42 | > | const char *output_help; /**< @brief output file name help description.  */ | 
| 43 | > | int step_arg; /**< @brief process every n frame (default='1').  */ | 
| 44 | > | char * step_orig;     /**< @brief process every n frame original value given at command line.  */ | 
| 45 | > | const char *step_help; /**< @brief process every n frame help description.  */ | 
| 46 | > | int nbins_arg;        /**< @brief number of bins (general purpose) (default='100').  */ | 
| 47 | > | char * nbins_orig;    /**< @brief number of bins (general purpose) original value given at command line.  */ | 
| 48 | > | const char *nbins_help; /**< @brief number of bins (general purpose) help description.  */ | 
| 49 | > | int nbins_x_arg;      /**< @brief number of bins in x axis (default='100').  */ | 
| 50 | > | char * nbins_x_orig;  /**< @brief number of bins in x axis original value given at command line.  */ | 
| 51 | > | const char *nbins_x_help; /**< @brief number of bins in x axis help description.  */ | 
| 52 | > | int nbins_y_arg;      /**< @brief number of bins in y axis (default='100').  */ | 
| 53 | > | char * nbins_y_orig;  /**< @brief number of bins in y axis original value given at command line.  */ | 
| 54 | > | const char *nbins_y_help; /**< @brief number of bins in y axis help description.  */ | 
| 55 | > | int nanglebins_arg;   /**< @brief number of bins for cos(angle) (default='50').  */ | 
| 56 | > | char * nanglebins_orig;       /**< @brief number of bins for cos(angle) original value given at command line.  */ | 
| 57 | > | const char *nanglebins_help; /**< @brief number of bins for cos(angle) help description.  */ | 
| 58 | > | double length_arg;    /**< @brief maximum length (Defaults to 1/2 smallest length of first frame).  */ | 
| 59 | > | char * length_orig;   /**< @brief maximum length (Defaults to 1/2 smallest length of first frame) original value given at command line.  */ | 
| 60 | > | const char *length_help; /**< @brief maximum length (Defaults to 1/2 smallest length of first frame) help description.  */ | 
| 61 | > | double rcut_arg;      /**< @brief cutoff radius (rcut).  */ | 
| 62 | > | char * rcut_orig;     /**< @brief cutoff radius (rcut) original value given at command line.  */ | 
| 63 | > | const char *rcut_help; /**< @brief cutoff radius (rcut) help description.  */ | 
| 64 | > | double zoffset_arg;   /**< @brief Where to set the zero for the slab_density calculation (default='0').  */ | 
| 65 | > | char * zoffset_orig;  /**< @brief Where to set the zero for the slab_density calculation original value given at command line.  */ | 
| 66 | > | const char *zoffset_help; /**< @brief Where to set the zero for the slab_density calculation help description.  */ | 
| 67 | > | char * sele1_arg;     /**< @brief select the first stuntdouble set.  */ | 
| 68 | > | char * sele1_orig;    /**< @brief select the first stuntdouble set original value given at command line.  */ | 
| 69 | > | const char *sele1_help; /**< @brief select the first stuntdouble set help description.  */ | 
| 70 | > | char * sele2_arg;     /**< @brief select the second stuntdouble set.  */ | 
| 71 | > | char * sele2_orig;    /**< @brief select the second stuntdouble set original value given at command line.  */ | 
| 72 | > | const char *sele2_help; /**< @brief select the second stuntdouble set help description.  */ | 
| 73 | > | char * sele3_arg;     /**< @brief select the third stuntdouble set.  */ | 
| 74 | > | char * sele3_orig;    /**< @brief select the third stuntdouble set original value given at command line.  */ | 
| 75 | > | const char *sele3_help; /**< @brief select the third stuntdouble set help description.  */ | 
| 76 | > | char * refsele_arg;   /**< @brief select reference (use and only use with --gxyz).  */ | 
| 77 | > | char * refsele_orig;  /**< @brief select reference (use and only use with --gxyz) original value given at command line.  */ | 
| 78 | > | const char *refsele_help; /**< @brief select reference (use and only use with --gxyz) help description.  */ | 
| 79 | > | char * comsele_arg;   /**< @brief select stunt doubles for center-of-mass reference point.  */ | 
| 80 | > | char * comsele_orig;  /**< @brief select stunt doubles for center-of-mass reference point original value given at command line.  */ | 
| 81 | > | const char *comsele_help; /**< @brief select stunt doubles for center-of-mass reference point help description.  */ | 
| 82 | > | char * molname_arg;   /**< @brief molecule name.  */ | 
| 83 | > | char * molname_orig;  /**< @brief molecule name original value given at command line.  */ | 
| 84 | > | const char *molname_help; /**< @brief molecule name help description.  */ | 
| 85 | > | int begin_arg;        /**< @brief begin internal index.  */ | 
| 86 | > | char * begin_orig;    /**< @brief begin internal index original value given at command line.  */ | 
| 87 | > | const char *begin_help; /**< @brief begin internal index help description.  */ | 
| 88 | > | int end_arg;  /**< @brief end internal index.  */ | 
| 89 | > | char * end_orig;      /**< @brief end internal index original value given at command line.  */ | 
| 90 | > | const char *end_help; /**< @brief end internal index help description.  */ | 
| 91 | > | double radius_arg;    /**< @brief nanoparticle radius.  */ | 
| 92 | > | char * radius_orig;   /**< @brief nanoparticle radius original value given at command line.  */ | 
| 93 | > | const char *radius_help; /**< @brief nanoparticle radius help description.  */ | 
| 94 | > | const char *bo_help; /**< @brief bond order parameter (--rcut must be specified) help description.  */ | 
| 95 | > | const char *bor_help; /**< @brief bond order parameter as a function of radius (--rcut must be specified) help description.  */ | 
| 96 | > | const char *bad_help; /**< @brief N(theta) bond angle density within (--rcut must be specified) help description.  */ | 
| 97 | > | const char *gofr_help; /**< @brief g(r) help description.  */ | 
| 98 | > | const char *gofz_help; /**< @brief g(z) help description.  */ | 
| 99 | > | const char *r_theta_help; /**< @brief g(r, cos(theta)) help description.  */ | 
| 100 | > | const char *r_omega_help; /**< @brief g(r, cos(omega)) help description.  */ | 
| 101 | > | const char *theta_omega_help; /**< @brief g(cos(theta), cos(omega)) help description.  */ | 
| 102 | > | const char *gxyz_help; /**< @brief g(x, y, z) help description.  */ | 
| 103 | > | const char *p2_help; /**< @brief p2 order parameter (--sele1 and --sele2 must be specified) help description.  */ | 
| 104 | > | const char *rp2_help; /**< @brief rp2 order parameter (--sele1 and --sele2 must be specified) help description.  */ | 
| 105 | > | const char *scd_help; /**< @brief scd order parameter (either --sele1, --sele2, --sele3 are specified or --molname, --begin, --end are specified) help description.  */ | 
| 106 | > | const char *density_help; /**< @brief density plot help description.  */ | 
| 107 | > | const char *slab_density_help; /**< @brief slab density help description.  */ | 
| 108 | > | const char *hxy_help; /**< @brief hxy help description.  */ | 
| 109 | > | const char *rho_r_help; /**< @brief rho of R help description.  */ | 
| 110 | > | const char *hullvol_help; /**< @brief hull volume of nanoparticle help description.  */ | 
| 111 | > |  | 
| 112 | > | unsigned int help_given ;     /**< @brief Whether help was given.  */ | 
| 113 | > | unsigned int version_given ;  /**< @brief Whether version was given.  */ | 
| 114 | > | unsigned int input_given ;    /**< @brief Whether input was given.  */ | 
| 115 | > | unsigned int output_given ;   /**< @brief Whether output was given.  */ | 
| 116 | > | unsigned int step_given ;     /**< @brief Whether step was given.  */ | 
| 117 | > | unsigned int nbins_given ;    /**< @brief Whether nbins was given.  */ | 
| 118 | > | unsigned int nbins_x_given ;  /**< @brief Whether nbins_x was given.  */ | 
| 119 | > | unsigned int nbins_y_given ;  /**< @brief Whether nbins_y was given.  */ | 
| 120 | > | unsigned int nanglebins_given ;       /**< @brief Whether nanglebins was given.  */ | 
| 121 | > | unsigned int length_given ;   /**< @brief Whether length was given.  */ | 
| 122 | > | unsigned int rcut_given ;     /**< @brief Whether rcut was given.  */ | 
| 123 | > | unsigned int zoffset_given ;  /**< @brief Whether zoffset was given.  */ | 
| 124 | > | unsigned int sele1_given ;    /**< @brief Whether sele1 was given.  */ | 
| 125 | > | unsigned int sele2_given ;    /**< @brief Whether sele2 was given.  */ | 
| 126 | > | unsigned int sele3_given ;    /**< @brief Whether sele3 was given.  */ | 
| 127 | > | unsigned int refsele_given ;  /**< @brief Whether refsele was given.  */ | 
| 128 | > | unsigned int comsele_given ;  /**< @brief Whether comsele was given.  */ | 
| 129 | > | unsigned int molname_given ;  /**< @brief Whether molname was given.  */ | 
| 130 | > | unsigned int begin_given ;    /**< @brief Whether begin was given.  */ | 
| 131 | > | unsigned int end_given ;      /**< @brief Whether end was given.  */ | 
| 132 | > | unsigned int radius_given ;   /**< @brief Whether radius was given.  */ | 
| 133 | > | unsigned int bo_given ;       /**< @brief Whether bo was given.  */ | 
| 134 | > | unsigned int bor_given ;      /**< @brief Whether bor was given.  */ | 
| 135 | > | unsigned int bad_given ;      /**< @brief Whether bad was given.  */ | 
| 136 | > | unsigned int gofr_given ;     /**< @brief Whether gofr was given.  */ | 
| 137 | > | unsigned int gofz_given ;     /**< @brief Whether gofz was given.  */ | 
| 138 | > | unsigned int r_theta_given ;  /**< @brief Whether r_theta was given.  */ | 
| 139 | > | unsigned int r_omega_given ;  /**< @brief Whether r_omega was given.  */ | 
| 140 | > | unsigned int theta_omega_given ;      /**< @brief Whether theta_omega was given.  */ | 
| 141 | > | unsigned int gxyz_given ;     /**< @brief Whether gxyz was given.  */ | 
| 142 | > | unsigned int p2_given ;       /**< @brief Whether p2 was given.  */ | 
| 143 | > | unsigned int rp2_given ;      /**< @brief Whether rp2 was given.  */ | 
| 144 | > | unsigned int scd_given ;      /**< @brief Whether scd was given.  */ | 
| 145 | > | unsigned int density_given ;  /**< @brief Whether density was given.  */ | 
| 146 | > | unsigned int slab_density_given ;     /**< @brief Whether slab_density was given.  */ | 
| 147 | > | unsigned int hxy_given ;      /**< @brief Whether hxy was given.  */ | 
| 148 | > | unsigned int rho_r_given ;    /**< @brief Whether rho_r was given.  */ | 
| 149 | > | unsigned int hullvol_given ;  /**< @brief Whether hullvol was given.  */ | 
| 150 |  |  | 
| 151 | < | int help_given ;      /* Whether help was given.  */ | 
| 152 | < | int version_given ;   /* Whether version was given.  */ | 
| 43 | < | int input_given ;     /* Whether input was given.  */ | 
| 44 | < | int output_given ;    /* Whether output was given.  */ | 
| 45 | < | int step_given ;      /* Whether step was given.  */ | 
| 46 | < | int nrbins_given ;    /* Whether nrbins was given.  */ | 
| 47 | < | int nanglebins_given ;        /* Whether nanglebins was given.  */ | 
| 48 | < | int length_given ;    /* Whether length was given.  */ | 
| 49 | < | int sele1_given ;     /* Whether sele1 was given.  */ | 
| 50 | < | int sele2_given ;     /* Whether sele2 was given.  */ | 
| 51 | < | int sele3_given ;     /* Whether sele3 was given.  */ | 
| 52 | < | int refsele_given ;   /* Whether refsele was given.  */ | 
| 53 | < | int molname_given ;   /* Whether molname was given.  */ | 
| 54 | < | int begin_given ;     /* Whether begin was given.  */ | 
| 55 | < | int end_given ;       /* Whether end was given.  */ | 
| 56 | < | int gofr_given ;      /* Whether gofr was given.  */ | 
| 57 | < | int r_theta_given ;   /* Whether r_theta was given.  */ | 
| 58 | < | int r_omega_given ;   /* Whether r_omega was given.  */ | 
| 59 | < | int theta_omega_given ;       /* Whether theta_omega was given.  */ | 
| 60 | < | int gxyz_given ;      /* Whether gxyz was given.  */ | 
| 61 | < | int p2_given ;        /* Whether p2 was given.  */ | 
| 62 | < | int scd_given ;       /* Whether scd was given.  */ | 
| 63 | < | int density_given ;   /* Whether density was given.  */ | 
| 151 | > | int staticProps_group_counter; /**< @brief Counter for group staticProps */ | 
| 152 | > | } ; | 
| 153 |  |  | 
| 154 | + | /** @brief The additional parameters to pass to parser functions */ | 
| 155 | + | struct cmdline_parser_params | 
| 156 | + | { | 
| 157 | + | int override; /**< @brief whether to override possibly already present options (default 0) */ | 
| 158 | + | int initialize; /**< @brief whether to initialize the option structure gengetopt_args_info (default 1) */ | 
| 159 | + | int check_required; /**< @brief whether to check that all required options were provided (default 1) */ | 
| 160 | + | int check_ambiguity; /**< @brief whether to check for options already specified in the option structure gengetopt_args_info (default 0) */ | 
| 161 | + | int print_errors; /**< @brief whether getopt_long should print an error message for a bad option (default 1) */ | 
| 162 |  | } ; | 
| 163 |  |  | 
| 164 | < | int cmdline_parser (int argc, char * const *argv, struct gengetopt_args_info *args_info); | 
| 164 | > | /** @brief the purpose string of the program */ | 
| 165 | > | extern const char *gengetopt_args_info_purpose; | 
| 166 | > | /** @brief the usage string of the program */ | 
| 167 | > | extern const char *gengetopt_args_info_usage; | 
| 168 | > | /** @brief all the lines making the help output */ | 
| 169 | > | extern const char *gengetopt_args_info_help[]; | 
| 170 |  |  | 
| 171 | + | /** | 
| 172 | + | * The command line parser | 
| 173 | + | * @param argc the number of command line options | 
| 174 | + | * @param argv the command line options | 
| 175 | + | * @param args_info the structure where option information will be stored | 
| 176 | + | * @return 0 if everything went fine, NON 0 if an error took place | 
| 177 | + | */ | 
| 178 | + | int cmdline_parser (int argc, char * const *argv, | 
| 179 | + | struct gengetopt_args_info *args_info); | 
| 180 | + |  | 
| 181 | + | /** | 
| 182 | + | * The command line parser (version with additional parameters - deprecated) | 
| 183 | + | * @param argc the number of command line options | 
| 184 | + | * @param argv the command line options | 
| 185 | + | * @param args_info the structure where option information will be stored | 
| 186 | + | * @param override whether to override possibly already present options | 
| 187 | + | * @param initialize whether to initialize the option structure my_args_info | 
| 188 | + | * @param check_required whether to check that all required options were provided | 
| 189 | + | * @return 0 if everything went fine, NON 0 if an error took place | 
| 190 | + | * @deprecated use cmdline_parser_ext() instead | 
| 191 | + | */ | 
| 192 | + | int cmdline_parser2 (int argc, char * const *argv, | 
| 193 | + | struct gengetopt_args_info *args_info, | 
| 194 | + | int override, int initialize, int check_required); | 
| 195 | + |  | 
| 196 | + | /** | 
| 197 | + | * The command line parser (version with additional parameters) | 
| 198 | + | * @param argc the number of command line options | 
| 199 | + | * @param argv the command line options | 
| 200 | + | * @param args_info the structure where option information will be stored | 
| 201 | + | * @param params additional parameters for the parser | 
| 202 | + | * @return 0 if everything went fine, NON 0 if an error took place | 
| 203 | + | */ | 
| 204 | + | int cmdline_parser_ext (int argc, char * const *argv, | 
| 205 | + | struct gengetopt_args_info *args_info, | 
| 206 | + | struct cmdline_parser_params *params); | 
| 207 | + |  | 
| 208 | + | /** | 
| 209 | + | * Save the contents of the option struct into an already open FILE stream. | 
| 210 | + | * @param outfile the stream where to dump options | 
| 211 | + | * @param args_info the option struct to dump | 
| 212 | + | * @return 0 if everything went fine, NON 0 if an error took place | 
| 213 | + | */ | 
| 214 | + | int cmdline_parser_dump(FILE *outfile, | 
| 215 | + | struct gengetopt_args_info *args_info); | 
| 216 | + |  | 
| 217 | + | /** | 
| 218 | + | * Save the contents of the option struct into a (text) file. | 
| 219 | + | * This file can be read by the config file parser (if generated by gengetopt) | 
| 220 | + | * @param filename the file where to save | 
| 221 | + | * @param args_info the option struct to save | 
| 222 | + | * @return 0 if everything went fine, NON 0 if an error took place | 
| 223 | + | */ | 
| 224 | + | int cmdline_parser_file_save(const char *filename, | 
| 225 | + | struct gengetopt_args_info *args_info); | 
| 226 | + |  | 
| 227 | + | /** | 
| 228 | + | * Print the help | 
| 229 | + | */ | 
| 230 |  | void cmdline_parser_print_help(void); | 
| 231 | + | /** | 
| 232 | + | * Print the version | 
| 233 | + | */ | 
| 234 |  | void cmdline_parser_print_version(void); | 
| 235 |  |  | 
| 236 | + | /** | 
| 237 | + | * Initializes all the fields a cmdline_parser_params structure | 
| 238 | + | * to their default values | 
| 239 | + | * @param params the structure to initialize | 
| 240 | + | */ | 
| 241 | + | void cmdline_parser_params_init(struct cmdline_parser_params *params); | 
| 242 | + |  | 
| 243 | + | /** | 
| 244 | + | * Allocates dynamically a cmdline_parser_params structure and initializes | 
| 245 | + | * all its fields to their default values | 
| 246 | + | * @return the created and initialized cmdline_parser_params structure | 
| 247 | + | */ | 
| 248 | + | struct cmdline_parser_params *cmdline_parser_params_create(void); | 
| 249 | + |  | 
| 250 | + | /** | 
| 251 | + | * Initializes the passed gengetopt_args_info structure's fields | 
| 252 | + | * (also set default values for options that have a default) | 
| 253 | + | * @param args_info the structure to initialize | 
| 254 | + | */ | 
| 255 | + | void cmdline_parser_init (struct gengetopt_args_info *args_info); | 
| 256 | + | /** | 
| 257 | + | * Deallocates the string fields of the gengetopt_args_info structure | 
| 258 | + | * (but does not deallocate the structure itself) | 
| 259 | + | * @param args_info the structure to deallocate | 
| 260 | + | */ | 
| 261 | + | void cmdline_parser_free (struct gengetopt_args_info *args_info); | 
| 262 | + |  | 
| 263 | + | /** | 
| 264 | + | * Checks that all the required options were specified | 
| 265 | + | * @param args_info the structure to check | 
| 266 | + | * @param prog_name the name of the program that will be used to print | 
| 267 | + | *   possible errors | 
| 268 | + | * @return | 
| 269 | + | */ | 
| 270 | + | int cmdline_parser_required (struct gengetopt_args_info *args_info, | 
| 271 | + | const char *prog_name); | 
| 272 | + |  | 
| 273 | + |  | 
| 274 |  | #ifdef __cplusplus | 
| 275 |  | } | 
| 276 |  | #endif /* __cplusplus */ |