FixBondOrdersTool (cdk 1.5.15 API)

Deprecated.
use Kekulization
```
@Deprecated
public class FixBondOrdersTool
extends Object
```
Class to Fix bond orders at present for Aromatic Rings only. Contains one public function: kekuliseAromaticRings(IAtomContainer molecule)
- Analyses which rings are marked aromatic/SP2/Planar3
- Splits rings into groups containing independent sets of single/fused rings
- Loops over each ring group
- Uses an adjacency matrix of bonds (rows) and atoms (columns) to represent each fused ring system
- Scans the adjacency matrix for bonds for which there is no order choice (eg - both bonds to the NH of pyrrole must be single)
- All choices made to match valency against bonds used (including implicit H atoms)
- Solves other bonds as possible - dependent on previous choices - makes free (random) choices only where necessary and possible
- Makes assumption that where there is a choice in bond order (not forced by previous choices) - either choice is consistent with correct solution
- Requires molecule with all rings to be solved being marked aromatic (SP2/Planar3 atoms). All bonds to non-ring atoms need to be fully defined (including implicit H atoms)
Author:

Kevin Lawson, Lucy Entwistle

Source code:
master

Belongs to CDK module:
smiles

Constructors
Constructor and Description
`FixBondOrdersTool()` Deprecated. Constructor for the FixBondOrdersTool object.

Methods
Modifier and Type	Method and Description
`boolean`	`isInterrupted()` Deprecated. Returns if the next or running calculation should be interrupted.
`IAtomContainer`	`kekuliseAromaticRings(IAtomContainer molecule)` Deprecated. kekuliseAromaticRings - function to add double/single bond order information for molecules having rings containing all atoms marked SP2 or Planar3 hybridisation.
`void`	`setInterrupted(boolean interrupted)` Deprecated. Sets if the calculation should be interrupted.

Class FixBondOrdersTool