| 51 |
|
char * sele2_arg; /**< @brief select second stuntdouble set (if sele2 is not set, use script from sele1). */ |
| 52 |
|
char * sele2_orig; /**< @brief select second stuntdouble set (if sele2 is not set, use script from sele1) original value given at command line. */ |
| 53 |
|
const char *sele2_help; /**< @brief select second stuntdouble set (if sele2 is not set, use script from sele1) help description. */ |
| 54 |
< |
int nbins_arg; /**< @brief Number of bins (default='100'). */ |
| 55 |
< |
char * nbins_orig; /**< @brief Number of bins original value given at command line. */ |
| 56 |
< |
const char *nbins_help; /**< @brief Number of bins help description. */ |
| 54 |
> |
int nbins_arg; /**< @brief number of bins (general purpose) (default='100'). */ |
| 55 |
> |
char * nbins_orig; /**< @brief number of bins (general purpose) original value given at command line. */ |
| 56 |
> |
const char *nbins_help; /**< @brief number of bins (general purpose) help description. */ |
| 57 |
> |
int nbins_z_arg; /**< @brief number of bins in z axis (default='100'). */ |
| 58 |
> |
char * nbins_z_orig; /**< @brief number of bins in z axis original value given at command line. */ |
| 59 |
> |
const char *nbins_z_help; /**< @brief number of bins in z axis help description. */ |
| 60 |
|
double referenceZ_arg; /**< @brief Reference z-height of solid surface. */ |
| 61 |
|
char * referenceZ_orig; /**< @brief Reference z-height of solid surface original value given at command line. */ |
| 62 |
|
const char *referenceZ_help; /**< @brief Reference z-height of solid surface help description. */ |
| 63 |
|
double dropletR_arg; /**< @brief Droplet radius in angstroms. */ |
| 64 |
|
char * dropletR_orig; /**< @brief Droplet radius in angstroms original value given at command line. */ |
| 65 |
|
const char *dropletR_help; /**< @brief Droplet radius in angstroms help description. */ |
| 66 |
+ |
double threshDens_arg; /**< @brief Threshold Density in g/cm^3. */ |
| 67 |
+ |
char * threshDens_orig; /**< @brief Threshold Density in g/cm^3 original value given at command line. */ |
| 68 |
+ |
const char *threshDens_help; /**< @brief Threshold Density in g/cm^3 help description. */ |
| 69 |
+ |
double bufferLength_arg; /**< @brief Buffer length in angstroms. */ |
| 70 |
+ |
char * bufferLength_orig; /**< @brief Buffer length in angstroms original value given at command line. */ |
| 71 |
+ |
const char *bufferLength_help; /**< @brief Buffer length in angstroms help description. */ |
| 72 |
|
const char *com_help; /**< @brief selection center of mass help description. */ |
| 73 |
|
const char *ca1_help; /**< @brief contact angle of selection (using center of mass) help description. */ |
| 74 |
|
const char *ca2_help; /**< @brief contact angle of selection (using density profile) help description. */ |
| 80 |
|
unsigned int sele1_given ; /**< @brief Whether sele1 was given. */ |
| 81 |
|
unsigned int sele2_given ; /**< @brief Whether sele2 was given. */ |
| 82 |
|
unsigned int nbins_given ; /**< @brief Whether nbins was given. */ |
| 83 |
+ |
unsigned int nbins_z_given ; /**< @brief Whether nbins_z was given. */ |
| 84 |
|
unsigned int referenceZ_given ; /**< @brief Whether referenceZ was given. */ |
| 85 |
|
unsigned int dropletR_given ; /**< @brief Whether dropletR was given. */ |
| 86 |
+ |
unsigned int threshDens_given ; /**< @brief Whether threshDens was given. */ |
| 87 |
+ |
unsigned int bufferLength_given ; /**< @brief Whether bufferLength was given. */ |
| 88 |
|
unsigned int com_given ; /**< @brief Whether com was given. */ |
| 89 |
|
unsigned int ca1_given ; /**< @brief Whether ca1 was given. */ |
| 90 |
|
unsigned int ca2_given ; /**< @brief Whether ca2 was given. */ |
