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 centroidX_arg; /**< @brief Location of droplet centroid in x. */ |
61 |
+ |
char * centroidX_orig; /**< @brief Location of droplet centroid in x original value given at command line. */ |
62 |
+ |
const char *centroidX_help; /**< @brief Location of droplet centroid in x help description. */ |
63 |
+ |
double centroidY_arg; /**< @brief Location of droplet centroid in y. */ |
64 |
+ |
char * centroidY_orig; /**< @brief Location of droplet centroid in y original value given at command line. */ |
65 |
+ |
const char *centroidY_help; /**< @brief Location of droplet centroid in y help description. */ |
66 |
|
double referenceZ_arg; /**< @brief Reference z-height of solid surface. */ |
67 |
|
char * referenceZ_orig; /**< @brief Reference z-height of solid surface original value given at command line. */ |
68 |
|
const char *referenceZ_help; /**< @brief Reference z-height of solid surface help description. */ |
72 |
|
double threshDens_arg; /**< @brief Threshold Density in g/cm^3. */ |
73 |
|
char * threshDens_orig; /**< @brief Threshold Density in g/cm^3 original value given at command line. */ |
74 |
|
const char *threshDens_help; /**< @brief Threshold Density in g/cm^3 help description. */ |
75 |
+ |
double bufferLength_arg; /**< @brief Buffer length in angstroms. */ |
76 |
+ |
char * bufferLength_orig; /**< @brief Buffer length in angstroms original value given at command line. */ |
77 |
+ |
const char *bufferLength_help; /**< @brief Buffer length in angstroms help description. */ |
78 |
|
const char *com_help; /**< @brief selection center of mass help description. */ |
79 |
|
const char *ca1_help; /**< @brief contact angle of selection (using center of mass) help description. */ |
80 |
|
const char *ca2_help; /**< @brief contact angle of selection (using density profile) help description. */ |
87 |
|
unsigned int sele2_given ; /**< @brief Whether sele2 was given. */ |
88 |
|
unsigned int nbins_given ; /**< @brief Whether nbins was given. */ |
89 |
|
unsigned int nbins_z_given ; /**< @brief Whether nbins_z was given. */ |
90 |
+ |
unsigned int centroidX_given ; /**< @brief Whether centroidX was given. */ |
91 |
+ |
unsigned int centroidY_given ; /**< @brief Whether centroidY was given. */ |
92 |
|
unsigned int referenceZ_given ; /**< @brief Whether referenceZ was given. */ |
93 |
|
unsigned int dropletR_given ; /**< @brief Whether dropletR was given. */ |
94 |
|
unsigned int threshDens_given ; /**< @brief Whether threshDens was given. */ |
95 |
+ |
unsigned int bufferLength_given ; /**< @brief Whether bufferLength was given. */ |
96 |
|
unsigned int com_given ; /**< @brief Whether com was given. */ |
97 |
|
unsigned int ca1_given ; /**< @brief Whether ca1 was given. */ |
98 |
|
unsigned int ca2_given ; /**< @brief Whether ca2 was given. */ |