Package ffx.algorithms.groovy

Class DynamicsNVETest

java.lang.Object

ffx.utilities.FFXTest

ffx.algorithms.misc.AlgorithmsTest

ffx.algorithms.groovy.DynamicsNVETest

public class DynamicsNVETest
extends AlgorithmsTest

Author:

Hernan V Bernabe

Field Summary

Fields inherited from class ffx.algorithms.misc.AlgorithmsTest

algorithmsScript, binding

Fields inherited from class ffx.utilities.FFXTest

ffxCI, ffxOpenMM, logger

Constructor Summary

Constructors

Constructor	Description
DynamicsNVETest(String info, String filename, double startingTotalEnergy, double endKineticEnergy, double endPotentialEnergy, double endTotalEnergy)

Method Summary

Modifier and Type	Method	Description
static Collection<Object[]>	data()
void	testDynamicsHelp()
void	testDynamicsNVE()

Methods inherited from class ffx.algorithms.misc.AlgorithmsTest

afterTest, beforeClass, beforeTest, getResourceFile, getResourcePath

Methods inherited from class ffx.utilities.FFXTest

afterClass, registerTemporaryDirectory

Methods inherited from class java.lang.Object

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

Constructor Details

DynamicsNVETest

public DynamicsNVETest(String info,
 String filename,
 double startingTotalEnergy,
 double endKineticEnergy,
 double endPotentialEnergy,
 double endTotalEnergy)

Method Details

data

public static Collection<Object[]> data()

testDynamicsHelp

public void testDynamicsHelp()

testDynamicsNVE

public void testDynamicsNVE()