OpenBabel::GasteigerState

GasteigerState Class Reference

Helper class for OBGastChrg which stores the Gasteiger states of a given atom. More...

#include <openbabel/molchrg.h>

List of all members.

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

double chi

double q

The documentation for this class was generated from the following files: