Package ffx.algorithms.groovy

Class MinimizeTest

java.lang.Object
ffx.utilities.FFXTest
ffx.algorithms.misc.AlgorithmsTest
ffx.algorithms.groovy.MinimizeTest
public class MinimizeTest extends ffx.algorithms.misc.AlgorithmsTest
Tests Minimize command to determine if the resulting potential energies with the -e and -I flags works properly.
Author:
Aaron J. Nessler, Mallory R. Tollefson

  • 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
    MinimizeTest()
     

  • Method Summary

    Modifier and Type
    Method
    Description
    void
    testMinimizeConvergenceCriteria()
    Tests convergence criteria flag of the minimize class.
    void
    testMinimizeHelp()
     
    void
    testMinimizeIterations()
    Tests the iterations flag of the minimize class.

    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

    • MinimizeTest

      public MinimizeTest()

  • Method Details

    • testMinimizeConvergenceCriteria

      public void testMinimizeConvergenceCriteria()
      Tests convergence criteria flag of the minimize class.

    • testMinimizeHelp

      public void testMinimizeHelp()

    • testMinimizeIterations

      public void testMinimizeIterations()
      Tests the iterations flag of the minimize class.