MoleculeSanityCheck (cdk 2.9 API)

java.lang.Object
- org.openscience.cdk.smsd.tools.MoleculeSanityCheck

```
@Deprecated
public class MoleculeSanityCheck
extends Object
```
Deprecated.
SMSD has been deprecated from the CDK with a newer, more recent version of SMSD is available at http://github.com/asad/smsd.

Class that cleans a molecule before MCS search.

Author:

Syed Asad Rahman <asad@ebi.ac.uk>

Source code:
main

Belongs to CDK module:
smsd

Constructor Summary

Constructors
Constructor Description

MoleculeSanityCheck()
Deprecated.

Method Summary

All Methods Static Methods Concrete Methods Deprecated Methods
Modifier and Type	Method	Description
`static IAtomContainer`	`checkAndCleanMolecule(IAtomContainer molecule)`	Deprecated. Modules for cleaning a molecule
`static void`	`configure(IAtomContainer mol)`	Deprecated. Fixes Aromaticity of the molecule i.e.

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

- Constructor Detail
  - MoleculeSanityCheck
```
public MoleculeSanityCheck()
```
    Deprecated.
- Method Detail
  - checkAndCleanMolecule
```
public static IAtomContainer checkAndCleanMolecule(IAtomContainer molecule)
```
    Deprecated.
    
    Modules for cleaning a molecule
    
    Parameters:
    
    molecule -
    
    Returns:
    
    cleaned AtomContainer
  - configure
```
public static void configure(IAtomContainer mol)
```
    Deprecated.
    
    Fixes Aromaticity of the molecule i.e. need to find rings and aromaticity again since added H's
    
    Parameters:
    
    mol -