| 103 |
|
const char *bo_help; /**< @brief bond order parameter (--rcut must be specified) help description. */ |
| 104 |
|
const char *bor_help; /**< @brief bond order parameter as a function of radius (--rcut must be specified) help description. */ |
| 105 |
|
const char *bad_help; /**< @brief N(theta) bond angle density within (--rcut must be specified) help description. */ |
| 106 |
+ |
const char *count_help; /**< @brief count of molecules matching selection criteria (and associated statistics) help description. */ |
| 107 |
|
const char *gofr_help; /**< @brief g(r) help description. */ |
| 108 |
|
const char *gofz_help; /**< @brief g(z) help description. */ |
| 109 |
|
const char *r_theta_help; /**< @brief g(r, cos(theta)) help description. */ |
| 120 |
|
const char *p_angle_help; /**< @brief p(cos(theta)) help description. */ |
| 121 |
|
const char *hxy_help; /**< @brief hxy help description. */ |
| 122 |
|
const char *rho_r_help; /**< @brief rho of R help description. */ |
| 123 |
+ |
const char *angle_r_help; /**< @brief angle of R help description. */ |
| 124 |
|
const char *hullvol_help; /**< @brief hull volume of nanoparticle help description. */ |
| 125 |
+ |
const char *tet_param_help; /**< @brief tetrahedrality order parameter help description. */ |
| 126 |
|
|
| 127 |
|
unsigned int help_given ; /**< @brief Whether help was given. */ |
| 128 |
|
unsigned int version_given ; /**< @brief Whether version was given. */ |
| 151 |
|
unsigned int bo_given ; /**< @brief Whether bo was given. */ |
| 152 |
|
unsigned int bor_given ; /**< @brief Whether bor was given. */ |
| 153 |
|
unsigned int bad_given ; /**< @brief Whether bad was given. */ |
| 154 |
+ |
unsigned int count_given ; /**< @brief Whether count was given. */ |
| 155 |
|
unsigned int gofr_given ; /**< @brief Whether gofr was given. */ |
| 156 |
|
unsigned int gofz_given ; /**< @brief Whether gofz was given. */ |
| 157 |
|
unsigned int r_theta_given ; /**< @brief Whether r_theta was given. */ |
| 168 |
|
unsigned int p_angle_given ; /**< @brief Whether p_angle was given. */ |
| 169 |
|
unsigned int hxy_given ; /**< @brief Whether hxy was given. */ |
| 170 |
|
unsigned int rho_r_given ; /**< @brief Whether rho_r was given. */ |
| 171 |
+ |
unsigned int angle_r_given ; /**< @brief Whether angle_r was given. */ |
| 172 |
|
unsigned int hullvol_given ; /**< @brief Whether hullvol was given. */ |
| 173 |
+ |
unsigned int tet_param_given ; /**< @brief Whether tet_param was given. */ |
| 174 |
|
|
| 175 |
|
char **inputs ; /**< @brief unamed options (options without names) */ |
| 176 |
|
unsigned inputs_num ; /**< @brief unamed options number */ |
