| 22 |  | #define CMDLINE_PARSER_VERSION "1.00" | 
| 23 |  | #endif | 
| 24 |  |  | 
| 25 | < | struct gengetopt_args_info | 
| 26 | < | { | 
| 27 | < | char * input_arg;   /* input dump file.  */ | 
| 28 | < | char * output_arg;  /* output file name.  */ | 
| 29 | < | int step_arg;       /* process every n frame (default='1').  */ | 
| 30 | < | int nrbins_arg;     /* number of bins for distance (default='100').  */ | 
| 31 | < | int nanglebins_arg; /* number of bins for cos(angle) (default='50').  */ | 
| 32 | < | double length_arg;  /* maximum length (Defaults to 1/2 smallest length of first frame).  */ | 
| 33 | < | char * sele1_arg;   /* select first stuntdouble set.  */ | 
| 34 | < | char * sele2_arg;   /* select second stuntdouble set.  */ | 
| 35 | < | char * refsele_arg; /* select reference (use and only use with --gxyz).  */ | 
| 25 | > | struct gengetopt_args_info | 
| 26 | > | { | 
| 27 | > | char * input_arg;     /* input dump file.  */ | 
| 28 | > | char * output_arg;    /* output file name.  */ | 
| 29 | > | int step_arg; /* process every n frame (default='1').  */ | 
| 30 | > | int nrbins_arg;       /* number of bins for distance (default='100').  */ | 
| 31 | > | int nanglebins_arg;   /* number of bins for cos(angle) (default='50').  */ | 
| 32 | > | double length_arg;    /* maximum length (Defaults to 1/2 smallest length of first frame).  */ | 
| 33 | > | char * sele1_arg;     /* select the first stuntdouble set.  */ | 
| 34 | > | char * sele2_arg;     /* select the second stuntdouble set.  */ | 
| 35 | > | char * sele3_arg;     /* select the third stuntdouble set.  */ | 
| 36 | > | char * refsele_arg;   /* select reference (use and only use with --gxyz).  */ | 
| 37 | > | char * molname_arg;   /* molecule name.  */ | 
| 38 | > | int begin_arg;        /* begin interanl index.  */ | 
| 39 | > | int end_arg;  /* end internal index.  */ | 
| 40 |  |  | 
| 41 | < | int help_given ;    /* Whether help was given.  */ | 
| 42 | < | 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 refsele_given ; /* Whether refsele was given.  */ | 
| 52 | < | int gofr_given ;    /* Whether gofr was given.  */ | 
| 53 | < | int r_theta_given ; /* Whether r_theta was given.  */ | 
| 54 | < | int r_omega_given ; /* Whether r_omega was given.  */ | 
| 55 | < | int theta_omega_given ;     /* Whether theta_omega was given.  */ | 
| 56 | < | int gxyz_given ;    /* Whether gxyz was given.  */ | 
| 41 | > | int help_given ;      /* Whether help was given.  */ | 
| 42 | > | 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.  */ | 
| 64 |  |  | 
| 65 | < | } ; | 
| 65 | > | } ; | 
| 66 |  |  | 
| 67 | < | int cmdline_parser (int argc, char * const *argv, struct gengetopt_args_info *args_info); | 
| 67 | > | int cmdline_parser (int argc, char * const *argv, struct gengetopt_args_info *args_info); | 
| 68 |  |  | 
| 69 | < | void cmdline_parser_print_help(void); | 
| 70 | < | void cmdline_parser_print_version(void); | 
| 69 | > | void cmdline_parser_print_help(void); | 
| 70 | > | void cmdline_parser_print_version(void); | 
| 71 |  |  | 
| 72 |  | #ifdef __cplusplus | 
| 73 |  | } |