| 96 |
|
int seleoffset_arg; /**< @brief global index offset for a second object (used to define a vector between sites in molecule). */ |
| 97 |
|
char * seleoffset_orig; /**< @brief global index offset for a second object (used to define a vector between sites in molecule) original value given at command line. */ |
| 98 |
|
const char *seleoffset_help; /**< @brief global index offset for a second object (used to define a vector between sites in molecule) help description. */ |
| 99 |
+ |
int seleoffset2_arg; /**< @brief global index offset for a third object (used to define a vector between sites in molecule). */ |
| 100 |
+ |
char * seleoffset2_orig; /**< @brief global index offset for a third object (used to define a vector between sites in molecule) original value given at command line. */ |
| 101 |
+ |
const char *seleoffset2_help; /**< @brief global index offset for a third object (used to define a vector between sites in molecule) help description. */ |
| 102 |
|
char * molname_arg; /**< @brief molecule name. */ |
| 103 |
|
char * molname_orig; /**< @brief molecule name original value given at command line. */ |
| 104 |
|
const char *molname_help; /**< @brief molecule name help description. */ |
| 112 |
|
char * radius_orig; /**< @brief nanoparticle radius original value given at command line. */ |
| 113 |
|
const char *radius_help; /**< @brief nanoparticle radius help description. */ |
| 114 |
|
const char *bo_help; /**< @brief bond order parameter (--rcut must be specified) help description. */ |
| 115 |
< |
const char *bor_help; /**< @brief bond order parameter as a function of radius (--rcut must be specified) help description. */ |
| 115 |
> |
const char *ior_help; /**< @brief icosahedral bond order parameter as a function of radius (--rcut must be specified) help description. */ |
| 116 |
> |
const char *for_help; /**< @brief FCC bond order parameter as a function of radius (--rcut must be specified) help description. */ |
| 117 |
|
const char *bad_help; /**< @brief N(theta) bond angle density within (--rcut must be specified) help description. */ |
| 118 |
|
const char *count_help; /**< @brief count of molecules matching selection criteria (and associated statistics) help description. */ |
| 119 |
|
const char *gofr_help; /**< @brief g(r) help description. */ |
| 162 |
|
unsigned int refsele_given ; /**< @brief Whether refsele was given. */ |
| 163 |
|
unsigned int comsele_given ; /**< @brief Whether comsele was given. */ |
| 164 |
|
unsigned int seleoffset_given ; /**< @brief Whether seleoffset was given. */ |
| 165 |
+ |
unsigned int seleoffset2_given ; /**< @brief Whether seleoffset2 was given. */ |
| 166 |
|
unsigned int molname_given ; /**< @brief Whether molname was given. */ |
| 167 |
|
unsigned int begin_given ; /**< @brief Whether begin was given. */ |
| 168 |
|
unsigned int end_given ; /**< @brief Whether end was given. */ |
| 169 |
|
unsigned int radius_given ; /**< @brief Whether radius was given. */ |
| 170 |
|
unsigned int bo_given ; /**< @brief Whether bo was given. */ |
| 171 |
< |
unsigned int bor_given ; /**< @brief Whether bor was given. */ |
| 171 |
> |
unsigned int ior_given ; /**< @brief Whether ior was given. */ |
| 172 |
> |
unsigned int for_given ; /**< @brief Whether for was given. */ |
| 173 |
|
unsigned int bad_given ; /**< @brief Whether bad was given. */ |
| 174 |
|
unsigned int count_given ; /**< @brief Whether count was given. */ |
| 175 |
|
unsigned int gofr_given ; /**< @brief Whether gofr was given. */ |
