| 1 |  | /* StaticPropsCmd.h */ | 
| 2 |  |  | 
| 3 | < | /* File autogenerated by gengetopt version 2.11  */ | 
| 3 | > | /* File autogenerated by gengetopt version 2.16  */ | 
| 4 |  |  | 
| 5 |  | #ifndef STATICPROPSCMD_H | 
| 6 |  | #define STATICPROPSCMD_H | 
| 25 |  | struct gengetopt_args_info | 
| 26 |  | { | 
| 27 |  | char * input_arg;     /* input dump file.  */ | 
| 28 | + | char * input_orig;    /* input dump file original value given at command line.  */ | 
| 29 |  | char * output_arg;    /* output file name.  */ | 
| 30 | + | char * output_orig;   /* output file name original value given at command line.  */ | 
| 31 |  | int step_arg; /* process every n frame (default='1').  */ | 
| 32 | < | int nrbins_arg;       /* number of bins for distance (default='100').  */ | 
| 32 | > | char * step_orig;     /* process every n frame original value given at command line.  */ | 
| 33 | > | int nbins_arg;        /* number of bins (general purpose) (default='100').  */ | 
| 34 | > | char * nbins_orig;    /* number of bins (general purpose) original value given at command line.  */ | 
| 35 | > | int nbins_x_arg;      /* number of bins in x axis (default='100').  */ | 
| 36 | > | char * nbins_x_orig;  /* number of bins in x axis original value given at command line.  */ | 
| 37 | > | int nbins_y_arg;      /* number of bins in y axis (default='100').  */ | 
| 38 | > | char * nbins_y_orig;  /* number of bins in y axis original value given at command line.  */ | 
| 39 |  | int nanglebins_arg;   /* number of bins for cos(angle) (default='50').  */ | 
| 40 | + | char * nanglebins_orig;       /* number of bins for cos(angle) original value given at command line.  */ | 
| 41 |  | double length_arg;    /* maximum length (Defaults to 1/2 smallest length of first frame).  */ | 
| 42 | + | char * length_orig;   /* maximum length (Defaults to 1/2 smallest length of first frame) original value given at command line.  */ | 
| 43 | + | int LegendreL_arg;    /* Order of Legendre Polynomial (used for Bond Order calculations).  */ | 
| 44 | + | char * LegendreL_orig;        /* Order of Legendre Polynomial (used for Bond Order calculations) original value given at command line.  */ | 
| 45 | + | double rcut_arg;      /* cutoff radius (rcut).  */ | 
| 46 | + | char * rcut_orig;     /* cutoff radius (rcut) original value given at command line.  */ | 
| 47 | + | double zoffset_arg;   /* Where to set the zero for the slab_density calculation (default='0').  */ | 
| 48 | + | char * zoffset_orig;  /* Where to set the zero for the slab_density calculation original value given at command line.  */ | 
| 49 |  | char * sele1_arg;     /* select the first stuntdouble set.  */ | 
| 50 | + | char * sele1_orig;    /* select the first stuntdouble set original value given at command line.  */ | 
| 51 |  | char * sele2_arg;     /* select the second stuntdouble set.  */ | 
| 52 | + | char * sele2_orig;    /* select the second stuntdouble set original value given at command line.  */ | 
| 53 |  | char * sele3_arg;     /* select the third stuntdouble set.  */ | 
| 54 | + | char * sele3_orig;    /* select the third stuntdouble set original value given at command line.  */ | 
| 55 |  | char * refsele_arg;   /* select reference (use and only use with --gxyz).  */ | 
| 56 | + | char * refsele_orig;  /* select reference (use and only use with --gxyz) original value given at command line.  */ | 
| 57 |  | char * molname_arg;   /* molecule name.  */ | 
| 58 | < | int begin_arg;        /* begin interanl index.  */ | 
| 58 | > | char * molname_orig;  /* molecule name original value given at command line.  */ | 
| 59 | > | int begin_arg;        /* begin internal index.  */ | 
| 60 | > | char * begin_orig;    /* begin internal index original value given at command line.  */ | 
| 61 |  | int end_arg;  /* end internal index.  */ | 
| 62 | < |  | 
| 62 | > | char * end_orig;      /* end internal index original value given at command line.  */ | 
| 63 | > |  | 
| 64 |  | int help_given ;      /* Whether help was given.  */ | 
| 65 |  | int version_given ;   /* Whether version was given.  */ | 
| 66 |  | int input_given ;     /* Whether input was given.  */ | 
| 67 |  | int output_given ;    /* Whether output was given.  */ | 
| 68 |  | int step_given ;      /* Whether step was given.  */ | 
| 69 | < | int nrbins_given ;    /* Whether nrbins was given.  */ | 
| 69 | > | int nbins_given ;     /* Whether nbins was given.  */ | 
| 70 | > | int nbins_x_given ;   /* Whether nbins_x was given.  */ | 
| 71 | > | int nbins_y_given ;   /* Whether nbins_y was given.  */ | 
| 72 |  | int nanglebins_given ;        /* Whether nanglebins was given.  */ | 
| 73 |  | int length_given ;    /* Whether length was given.  */ | 
| 74 | + | int LegendreL_given ; /* Whether LegendreL was given.  */ | 
| 75 | + | int rcut_given ;      /* Whether rcut was given.  */ | 
| 76 | + | int zoffset_given ;   /* Whether zoffset was given.  */ | 
| 77 |  | int sele1_given ;     /* Whether sele1 was given.  */ | 
| 78 |  | int sele2_given ;     /* Whether sele2 was given.  */ | 
| 79 |  | int sele3_given ;     /* Whether sele3 was given.  */ | 
| 81 |  | int molname_given ;   /* Whether molname was given.  */ | 
| 82 |  | int begin_given ;     /* Whether begin was given.  */ | 
| 83 |  | int end_given ;       /* Whether end was given.  */ | 
| 84 | + | int bo_given ;        /* Whether bo was given.  */ | 
| 85 |  | int gofr_given ;      /* Whether gofr was given.  */ | 
| 86 |  | int r_theta_given ;   /* Whether r_theta was given.  */ | 
| 87 |  | int r_omega_given ;   /* Whether r_omega was given.  */ | 
| 88 |  | int theta_omega_given ;       /* Whether theta_omega was given.  */ | 
| 89 |  | int gxyz_given ;      /* Whether gxyz was given.  */ | 
| 90 |  | int p2_given ;        /* Whether p2 was given.  */ | 
| 91 | + | int rp2_given ;       /* Whether rp2 was given.  */ | 
| 92 |  | int scd_given ;       /* Whether scd was given.  */ | 
| 93 | + | int density_given ;   /* Whether density was given.  */ | 
| 94 | + | int slab_density_given ;      /* Whether slab_density was given.  */ | 
| 95 | + | int hxy_given ;       /* Whether hxy was given.  */ | 
| 96 |  |  | 
| 97 | + | int staticProps_group_counter; /* counter for group staticProps */ | 
| 98 |  | } ; | 
| 99 |  |  | 
| 100 |  | int cmdline_parser (int argc, char * const *argv, struct gengetopt_args_info *args_info); | 
| 101 | + | int cmdline_parser2 (int argc, char * const *argv, struct gengetopt_args_info *args_info, int override, int initialize, int check_required); | 
| 102 | + | int cmdline_parser_file_save(const char *filename, struct gengetopt_args_info *args_info); | 
| 103 |  |  | 
| 104 |  | void cmdline_parser_print_help(void); | 
| 105 |  | void cmdline_parser_print_version(void); | 
| 106 |  |  | 
| 107 | + | void cmdline_parser_init (struct gengetopt_args_info *args_info); | 
| 108 | + | void cmdline_parser_free (struct gengetopt_args_info *args_info); | 
| 109 | + |  | 
| 110 | + | int cmdline_parser_required (struct gengetopt_args_info *args_info, const char *prog_name); | 
| 111 | + |  | 
| 112 | + |  | 
| 113 |  | #ifdef __cplusplus | 
| 114 |  | } | 
| 115 |  | #endif /* __cplusplus */ |