--- trunk/src/applications/staticProps/StaticPropsCmd.h 2009/11/25 20:02:06 1390 +++ trunk/src/applications/staticProps/StaticPropsCmd.h 2010/04/29 14:41:48 1440 @@ -52,6 +52,9 @@ struct gengetopt_args_info int nbins_y_arg; /**< @brief number of bins in y axis (default='100'). */ char * nbins_y_orig; /**< @brief number of bins in y axis original value given at command line. */ const char *nbins_y_help; /**< @brief number of bins in y axis help description. */ + int nbins_z_arg; /**< @brief number of bins in z axis (default='100'). */ + char * nbins_z_orig; /**< @brief number of bins in z axis original value given at command line. */ + const char *nbins_z_help; /**< @brief number of bins in z axis help description. */ 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. */ @@ -98,6 +101,7 @@ struct gengetopt_args_info const char *gofz_help; /**< @brief g(z) help description. */ const char *r_theta_help; /**< @brief g(r, cos(theta)) help description. */ const char *r_omega_help; /**< @brief g(r, cos(omega)) help description. */ + 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 *p2_help; /**< @brief p2 order parameter (--sele1 and --sele2 must be specified) help description. */ @@ -105,6 +109,7 @@ struct gengetopt_args_info const char *scd_help; /**< @brief scd order parameter (either --sele1, --sele2, --sele3 are specified or --molname, --begin, --end are specified) help description. */ const char *density_help; /**< @brief density plot help description. */ const char *slab_density_help; /**< @brief slab density help description. */ + const char *p_angle_help; /**< @brief p(cos(theta)) help description. */ const char *hxy_help; /**< @brief hxy help description. */ const char *rho_r_help; /**< @brief rho of R help description. */ const char *hullvol_help; /**< @brief hull volume of nanoparticle help description. */ @@ -117,6 +122,7 @@ struct gengetopt_args_info unsigned int nbins_given ; /**< @brief Whether nbins was given. */ unsigned int nbins_x_given ; /**< @brief Whether nbins_x was given. */ 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. */ @@ -137,6 +143,7 @@ struct gengetopt_args_info unsigned int gofz_given ; /**< @brief Whether gofz was given. */ unsigned int r_theta_given ; /**< @brief Whether r_theta was given. */ unsigned int r_omega_given ; /**< @brief Whether r_omega was given. */ + 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 p2_given ; /**< @brief Whether p2 was given. */ @@ -144,10 +151,13 @@ struct gengetopt_args_info unsigned int scd_given ; /**< @brief Whether scd was given. */ unsigned int density_given ; /**< @brief Whether density was given. */ unsigned int slab_density_given ; /**< @brief Whether slab_density was given. */ + unsigned int p_angle_given ; /**< @brief Whether p_angle was given. */ unsigned int hxy_given ; /**< @brief Whether hxy was given. */ unsigned int rho_r_given ; /**< @brief Whether rho_r was given. */ unsigned int hullvol_given ; /**< @brief Whether hullvol was given. */ + char **inputs ; /**< @brief unamed options (options without names) */ + unsigned inputs_num ; /**< @brief unamed options number */ int staticProps_group_counter; /**< @brief Counter for group staticProps */ } ;