Package ffx.potential.groovy

Class ExportQETest

java.lang.Object

ffx.utilities.FFXTest

ffx.potential.utils.PotentialTest

ffx.potential.groovy.ExportQETest

public class ExportQETest
extends PotentialTest

Tests test.XYZtoQE command to test saving an XYZ file to QE format.

Author:

Aaron J. Nessler

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
ExportQETest()

Method Summary

Modifier and Type	Method	Description
void	testXYZtoQE()	Tests the XYZtoQE script.
void	testXYZtoQEHelp()

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

ExportQETest

public ExportQETest()

Method Details

testXYZtoQE

public void testXYZtoQE()

Tests the XYZtoQE script.

testXYZtoQEHelp

public void testXYZtoQEHelp()