Package ffx.algorithms.groovy

Class DynamicsNVETest

java.lang.Object
ffx.utilities.FFXTest
ffx.algorithms.misc.AlgorithmsTest
ffx.algorithms.groovy.DynamicsNVETest
public class DynamicsNVETest extends ffx.algorithms.misc.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()