Package ffx.algorithms.groovy

Class MinimizeCrystalsTest

java.lang.Object
ffx.utilities.FFXTest
ffx.algorithms.misc.AlgorithmsTest
ffx.algorithms.groovy.MinimizeCrystalsTest
public class MinimizeCrystalsTest extends ffx.algorithms.misc.AlgorithmsTest
Tests CrystalMin and CrystalMin.groovy scripts for -e -I -f and -c flags.
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
    MinimizeCrystalsTest()
     

  • Method Summary

    Modifier and Type
    Method
    Description
    void
    testCrystalMinConvergenceCriteria()
    Tests convergence criteria flag of the CrystalMin class.
    void
    testCrystalMinCoords()
    Tests the fractional flag of the CrystalMin class.
    void
    testCrystalMinFractional()
    Tests the fractional flag of the CrystalMin class.
    void
    testCrystalMinHelp()
     
    void
    testCrystalMinIterations()
    Tests the iterations flag of the CrystalMin 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

    • MinimizeCrystalsTest

      public MinimizeCrystalsTest()

  • Method Details

    • testCrystalMinConvergenceCriteria

      public void testCrystalMinConvergenceCriteria()
      Tests convergence criteria flag of the CrystalMin class.

    • testCrystalMinCoords

      public void testCrystalMinCoords()
      Tests the fractional flag of the CrystalMin class.

    • testCrystalMinFractional

      public void testCrystalMinFractional()
      Tests the fractional flag of the CrystalMin class.

    • testCrystalMinHelp

      public void testCrystalMinHelp()

    • testCrystalMinIterations

      public void testCrystalMinIterations()
      Tests the iterations flag of the CrystalMin class.