Package ffx.algorithms.commands

Class MinimizeCrystalsTest

java.lang.Object

ffx.utilities.FFXTest

ffx.algorithms.misc.AlgorithmsTest

ffx.algorithms.commands.MinimizeCrystalsTest

public class MinimizeCrystalsTest
extends 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.