Package ffx.algorithms.groovy

Class MinimizeTest

java.lang.Object

ffx.utilities.FFXTest

ffx.algorithms.misc.AlgorithmsTest

ffx.algorithms.groovy.MinimizeTest

public class MinimizeTest
extends 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.