--- trunk/src/applications/staticProps/StaticPropsCmd.h 2010/04/29 14:41:48 1440 +++ trunk/src/applications/staticProps/StaticPropsCmd.h 2010/06/23 19:25:02 1454 @@ -58,12 +58,18 @@ struct gengetopt_args_info int nanglebins_arg; /**< @brief number of bins for cos(angle) (default='50'). */ char * nanglebins_orig; /**< @brief number of bins for cos(angle) original value given at command line. */ const char *nanglebins_help; /**< @brief number of bins for cos(angle) help description. */ - double length_arg; /**< @brief maximum length (Defaults to 1/2 smallest length of first frame). */ - char * length_orig; /**< @brief maximum length (Defaults to 1/2 smallest length of first frame) original value given at command line. */ - const char *length_help; /**< @brief maximum length (Defaults to 1/2 smallest length of first frame) help description. */ double rcut_arg; /**< @brief cutoff radius (rcut). */ char * rcut_orig; /**< @brief cutoff radius (rcut) original value given at command line. */ const char *rcut_help; /**< @brief cutoff radius (rcut) help description. */ + double dz_arg; /**< @brief slab width (dz). */ + char * dz_orig; /**< @brief slab width (dz) original value given at command line. */ + const char *dz_help; /**< @brief slab width (dz) help description. */ + double length_arg; /**< @brief maximum length (Defaults to 1/2 smallest length of first frame). */ + char * length_orig; /**< @brief maximum length (Defaults to 1/2 smallest length of first frame) original value given at command line. */ + const char *length_help; /**< @brief maximum length (Defaults to 1/2 smallest length of first frame) help description. */ + double zlength_arg; /**< @brief maximum length (Defaults to 1/2 smallest length of first frame). */ + char * zlength_orig; /**< @brief maximum length (Defaults to 1/2 smallest length of first frame) original value given at command line. */ + const char *zlength_help; /**< @brief maximum length (Defaults to 1/2 smallest length of first frame) help description. */ double zoffset_arg; /**< @brief Where to set the zero for the slab_density calculation (default='0'). */ char * zoffset_orig; /**< @brief Where to set the zero for the slab_density calculation original value given at command line. */ const char *zoffset_help; /**< @brief Where to set the zero for the slab_density calculation help description. */ @@ -104,6 +110,7 @@ struct gengetopt_args_info const char *r_z_help; /**< @brief g(r, z) help description. */ const char *theta_omega_help; /**< @brief g(cos(theta), cos(omega)) help description. */ const char *gxyz_help; /**< @brief g(x, y, z) help description. */ + const char *twodgofr_help; /**< @brief 2D g(r) (Slab width --dz must be specified) help description. */ const char *p2_help; /**< @brief p2 order parameter (--sele1 and --sele2 must be specified) help description. */ const char *rp2_help; /**< @brief rp2 order parameter (--sele1 and --sele2 must be specified) help description. */ const char *scd_help; /**< @brief scd order parameter (either --sele1, --sele2, --sele3 are specified or --molname, --begin, --end are specified) help description. */ @@ -124,8 +131,10 @@ struct gengetopt_args_info unsigned int nbins_y_given ; /**< @brief Whether nbins_y was given. */ unsigned int nbins_z_given ; /**< @brief Whether nbins_z was given. */ unsigned int nanglebins_given ; /**< @brief Whether nanglebins was given. */ - unsigned int length_given ; /**< @brief Whether length was given. */ unsigned int rcut_given ; /**< @brief Whether rcut was given. */ + unsigned int dz_given ; /**< @brief Whether dz was given. */ + unsigned int length_given ; /**< @brief Whether length was given. */ + unsigned int zlength_given ; /**< @brief Whether zlength was given. */ unsigned int zoffset_given ; /**< @brief Whether zoffset was given. */ unsigned int sele1_given ; /**< @brief Whether sele1 was given. */ unsigned int sele2_given ; /**< @brief Whether sele2 was given. */ @@ -146,6 +155,7 @@ struct gengetopt_args_info unsigned int r_z_given ; /**< @brief Whether r_z was given. */ unsigned int theta_omega_given ; /**< @brief Whether theta_omega was given. */ unsigned int gxyz_given ; /**< @brief Whether gxyz was given. */ + unsigned int twodgofr_given ; /**< @brief Whether twodgofr was given. */ unsigned int p2_given ; /**< @brief Whether p2 was given. */ unsigned int rp2_given ; /**< @brief Whether rp2 was given. */ unsigned int scd_given ; /**< @brief Whether scd was given. */