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

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Detailed Description

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

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Constructor & Destructor Documentation

GasteigerState

(

)

~GasteigerState

(

)

[inline]

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Member Function Documentation

void SetValues	(	double	_a,
		double	_b,
		double	_c,
		double	_q
	)			[inline]

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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().

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

• molchrg.h
• molchrg.cpp