Package ffx.openmm

Class OpenMMHarmonicBondTest

java.lang.Object

ffx.openmm.OpenMMHarmonicBondTest

public class OpenMMHarmonicBondTest
extends Object

Simple unit tests to exercise creating a System with a HarmonicBondForce, creating a Context with a Langevin integrator on the OpenCL platform, and validating potential energy before and after a few MD steps.

Constructor Summary

Constructors

Constructor	Description
OpenMMHarmonicBondTest()

Method Summary

Modifier and Type	Method	Description
static void	init()
void	tearDown()
void	testHarmonicBondEnergyAtEquilibriumOpenCL()
void	testHarmonicBondEnergyDisplacedOpenCL()

Methods inherited from class java.lang.Object

clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait

Constructor Details

OpenMMHarmonicBondTest

public OpenMMHarmonicBondTest()

Method Details

init

public static void init()

tearDown

public void tearDown()

testHarmonicBondEnergyAtEquilibriumOpenCL

public void testHarmonicBondEnergyAtEquilibriumOpenCL()

testHarmonicBondEnergyDisplacedOpenCL

public void testHarmonicBondEnergyDisplacedOpenCL()