Open Babel: GasteigerState Class Reference

Public Member Functions | Public Attributes

# 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:

- molchrg.h
- molchrg.cpp

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