Package ffx.potential.utils

Class GradientUtils

java.lang.Object

ffx.potential.utils.GradientUtils

public class GradientUtils
extends Object

GradientUtils is a utility class for testing the gradient of a potential.

Since:

1.0

Author:

Michael J. Schnieders

Constructor Summary

Constructors

Constructor	Description
GradientUtils(Potential potential)	Constructor.

Method Summary

Modifier and Type	Method	Description
int	testGradient(GradientOptions gradientOptions)	Test the gradient of the Potential.

Methods inherited from class java.lang.Object

clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait

Constructor Details

GradientUtils

public GradientUtils(Potential potential)

Constructor.

Parameters:

potential - The Potential to test.

Method Details

testGradient

public int testGradient(GradientOptions gradientOptions)

Test the gradient of the Potential.

Parameters:

gradientOptions - The GradientOptions to use.

Returns:

The number of failures.