Package ffx.algorithms.groovy

Class DynamicsNVTTest

java.lang.Object
ffx.utilities.FFXTest
ffx.algorithms.misc.AlgorithmsTest
ffx.algorithms.groovy.DynamicsNVTTest
public class DynamicsNVTTest extends ffx.algorithms.misc.AlgorithmsTest
Test NVT dynamics on a waterbox.
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
    DynamicsNVTTest(String info, String filename, double finalTemp, double endTotalEnergy)
     

  • Method Summary

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

    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

    • DynamicsNVTTest

      public DynamicsNVTTest(String info, String filename, double finalTemp, double endTotalEnergy)

  • Method Details

    • data

      public static Collection<Object[]> data()

    • testDynamicsNVT

      public void testDynamicsNVT()