MopacUtilities (Ambit 2 4.0.1-SNAPSHOT API)

```
public class MopacUtilities
extends Object
```
Some utilities and helper functions for the work with MOPAC

Fields
Modifier and Type	Field and Description
`protected SmilesParserWrapper`	`parser`
`protected AbstractMopacShell`	`shell`

Constructors
Constructor and Description
`MopacUtilities()`

All Methods Instance Methods Concrete Methods
Modifier and Type	Method and Description
`double`	`getTotalEnergy(org.openscience.cdk.interfaces.IAtomContainer mol)`
`double`	`getTotalEnergy(String smiles)`
`void`	`setUp()`

public MopacUtilities()
               throws Exception

public void setUp()
           throws Exception

public double getTotalEnergy(String smiles)
                      throws Exception

public double getTotalEnergy(org.openscience.cdk.interfaces.IAtomContainer mol)
                      throws Exception

Class MopacUtilities