Package ffx.potential.groovy

Class LambdaGradientTest

java.lang.Object

ffx.utilities.FFXTest

ffx.potential.utils.PotentialTest

ffx.potential.groovy.LambdaGradientTest

public class LambdaGradientTest
extends PotentialTest

Tests test.LambdaGradient command to determine that the end state potentials and derivatives are correct.

Author:

Aaron J. Nessler, Mallory R. Tollefson

Field Summary

Fields inherited from class ffx.potential.utils.PotentialTest

binding, potentialScript

Fields inherited from class ffx.utilities.FFXTest

ffxCI, ffxOpenMM, logger

Constructor Summary

Constructors

Constructor	Description
LambdaGradientTest()

Method Summary

Modifier and Type	Method	Description
void	testLambdaGradient()	Tests the End States of the LambdaGradient class.
void	testLambdaGradientHelp()
void	testLambdaGradientIntermolecularSoftcore()	Tests the End States of the LambdaGradient class when softcore is active.
void	testLambdaGradientSymOp()	Tests the End States of the LambdaGradient class when mapped via sym op.

Methods inherited from class ffx.potential.utils.PotentialTest

afterTest, beforeTest, getResourceFile, getResourcePath

Methods inherited from class ffx.utilities.FFXTest

afterClass, beforeClass, registerTemporaryDirectory

Methods inherited from class java.lang.Object

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

Constructor Details

LambdaGradientTest

public LambdaGradientTest()

Method Details

testLambdaGradient

public void testLambdaGradient()

Tests the End States of the LambdaGradient class.

testLambdaGradientHelp

public void testLambdaGradientHelp()

testLambdaGradientIntermolecularSoftcore

public void testLambdaGradientIntermolecularSoftcore()

Tests the End States of the LambdaGradient class when softcore is active.

testLambdaGradientSymOp

public void testLambdaGradientSymOp()

Tests the End States of the LambdaGradient class when mapped via sym op.