GasteigerState Class Reference
Helper class for OBGastChrg which stores the Gasteiger states of a given atom. More...
#include <openbabel/molchrg.h>
Public Member Functions | |
GasteigerState () | |
~GasteigerState () | |
void | SetValues (double _a, double _b, double _c, double _q) |
Public Attributes | |
double | a |
double | b |
double | c |
double | denom |
double | chi |
double | q |
Detailed Description
Helper class for OBGastChrg which stores the Gasteiger states of a given atom.
Constructor & Destructor Documentation
GasteigerState | ( | ) |
~GasteigerState | ( | ) | [inline] |
Member Function Documentation
void SetValues | ( | double | _a, | |
double | _b, | |||
double | _c, | |||
double | _q | |||
) | [inline] |
Member Data Documentation
double a |
double b |
double c |
double denom |
Referenced by GasteigerState::GasteigerState().
double chi |
Referenced by GasteigerState::GasteigerState().
double q |
Referenced by GasteigerState::GasteigerState().
The documentation for this class was generated from the following files: