| 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. */ |
| 128 |
|
const char *scd_help; /**< @brief scd order parameter (either --sele1, --sele2, --sele3 are specified or --molname, --begin, --end are specified) help description. */ |
| 129 |
|
const char *density_help; /**< @brief density plot help description. */ |
| 130 |
|
const char *slab_density_help; /**< @brief slab density help description. */ |
| 131 |
< |
const char *p_angle_help; /**< @brief p(cos(theta)) help description. */ |
| 131 |
> |
const char *p_angle_help; /**< @brief p(cos(theta)) (--sele1 must be specified, --sele2 is optional) help description. */ |
| 132 |
|
const char *hxy_help; /**< @brief hxy help description. */ |
| 133 |
|
const char *rho_r_help; /**< @brief rho of R help description. */ |
| 134 |
|
const char *angle_r_help; /**< @brief angle of R help description. */ |
| 161 |
|
unsigned int refsele_given ; /**< @brief Whether refsele was given. */ |
| 162 |
|
unsigned int comsele_given ; /**< @brief Whether comsele was given. */ |
| 163 |
|
unsigned int seleoffset_given ; /**< @brief Whether seleoffset was given. */ |
| 164 |
+ |
unsigned int seleoffset2_given ; /**< @brief Whether seleoffset2 was given. */ |
| 165 |
|
unsigned int molname_given ; /**< @brief Whether molname was given. */ |
| 166 |
|
unsigned int begin_given ; /**< @brief Whether begin was given. */ |
| 167 |
|
unsigned int end_given ; /**< @brief Whether end was given. */ |
