GasteigerState Class Reference

#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

(

)

~GasteigerState()

~GasteigerState ( )

inline

Member Function Documentation

SetValues()

void SetValues ( double  _a, double  _b, double  _c, double  _q  )

inline

Member Data Documentation

a

double a

b

double b

c

double c

denom

double denom

chi

double chi

q

double q

---

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

• molchrg.h
• molchrg.cpp