Package ffx.potential.groovy

Class ExportQETest

java.lang.Object
ffx.utilities.FFXTest
ffx.potential.utils.PotentialTest
ffx.potential.groovy.ExportQETest
public class ExportQETest extends ffx.potential.utils.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()