StabilizationCharges (cdk 2.9 API)

java.lang.Object
- org.openscience.cdk.charges.StabilizationCharges

```
public class StabilizationCharges
extends Object
```
The stabilization of the positive and the negative charge obtained (e.g in the polar breaking of a bond) is calculated from the sigma- and lone pair-electronegativity values of the atoms that are in conjugation to the atoms obtaining the charges. Based on H. Saller Dissertation @cdk.cite{SallerH1895}.

Author:

Miguel Rojas Cherto

Source code:
main

Belongs to CDK module:
charges

Keywords:

stabilization charge

Created on:

2008-104-31

Constructor Summary

Constructors
Constructor Description

StabilizationCharges()
Constructor for the StabilizationCharges object.

Method Summary

All Methods Instance Methods Concrete Methods
Modifier and Type	Method	Description
`double`	`calculatePositive(IAtomContainer atomContainer, IAtom atom)`	calculate the stabilization of orbitals when they contain deficiency of charge.

Methods inherited from class java.lang.Object
clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait

- Constructor Detail
  - StabilizationCharges
```
public StabilizationCharges()
```
    Constructor for the StabilizationCharges object.
- Method Detail
  - calculatePositive
```
public double calculatePositive(IAtomContainer atomContainer,
                                IAtom atom)
```
    calculate the stabilization of orbitals when they contain deficiency of charge.
    
    Parameters:
    
    atomContainer - the molecule to be considered
    
    atom - IAtom for which effective atom StabilizationCharges factor should be calculated
    
    Returns:
    
    stabilizationValue