AromaticityCalculator (cdk 2.10 API)

java.lang.Object
- org.openscience.cdk.aromaticity.AromaticityCalculator

```
@Deprecated
public class AromaticityCalculator
extends Object
```
Deprecated.
use Aromaticity

Author:

Oliver Horlacher <oliver.horlacher@therastrat.com>

Source code:
main

Belongs to CDK module:
standard

Keywords:

aromaticity detector

Created on:

2002-03-14

Constructor Summary

Constructors
Constructor Description

AromaticityCalculator()
Deprecated.

Method Summary

All Methods Static Methods Concrete Methods Deprecated Methods
Modifier and Type	Method	Description
`static boolean`	`isAromatic(IRing ring, IAtomContainer atomContainer)`	Deprecated. Tests the `ring` in the `molecule` for aromaticity.

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

- Constructor Detail
  - AromaticityCalculator
```
public AromaticityCalculator()
```
    Deprecated.
- Method Detail
  - isAromatic
```
public static boolean isAromatic(IRing ring,
                                 IAtomContainer atomContainer)
```
    Deprecated.
    
    Tests the ring in the molecule for aromaticity. Uses the Hückel rule (4n + 2) pie electrons. sp² hybridized C contibute 1 electron non sp² hybridized heteroatoms contribute 2 electrons (N and O should never be sp in or anything else in a ring and d electron elements get to complicated) sp² hybridized heteroatoms contribute 1 electron hybridization is worked out by counting the number of bonds with order 2. Therefore sp² hybridization is assumed if there is one bond of order 2. Otherwise sp³ hybridization is assumed.
    
    Parameters:
    
    ring - the ring to test
    
    atomContainer - the AtomContainer the ring is in
    
    Returns:
    
    true if the ring is aromatic false otherwise.