All Classes and Interfaces

Classes

Class	Description
AngleTest	Unit tests for the Angle class.
AtomTest	Unit tests for the Atom class.
BARDualTopologyTest
BARFilesTest
BARSingleTopologyTest
BiotypeTest	Test the Biotype script.
BondTest	Unit tests for the Bond class.
Cart2FracTest	Test the Cart2Frac script.
CIFFilterTest	Test the CIF Filter.
ClusteringTest	Tests the Cluster command to assess clustering based on distances.
Complex3DParallelTest
Complex3DTest
ComplexTest
CrystalReciprocalSpaceTest
CrystalVolumeDerivativeTest	Test the Crystal class.
DynamicsBeemanBerendsenTest
DynamicsInitVelocitiesTest
DynamicsNVETest
DynamicsNVTTest	Test NVT dynamics on a waterbox.
DynamicsOpenMMRESPANVETest
DynamicsOpenMMStochasticTest
DynamicsRESPANVETest
DynamicsStochasticTest
EnergyTest	Test the Energy script.
ErfTest
ExportQETest	Tests test.XYZtoQE command to test saving an XYZ file to QE format.
FFTTestSuite	FFTTestSuite collects all Unit tests from the ffx.numerics.fft package.
FiniteDifferenceTest
ForceFieldFilterTest	Test creation of a Force Field object from a CompositeConfiguration.
FormFactorTest
Frac2CartTest	Test the Cart2Frac script.
GKEnergyTest	Test the Energy script with Generalized Kirkwood parameters.
GKTensorGlobalTest	Test the GK tensor evaluated in the global coordinate frame.
GKTensorQITest	Test the GK tensor evaluated in the quasi-internal coordinate frame.
GlobalMultipoleTensorTest	Parameterized Test of the MultipoleTensor class.
Hybrid36Test
ImportCIFTest	Tests ImportCIF command to determine that files are being translated correctly.
Integrate1DTest	The IntegrationTest is a JUnit test for the Integration program that ensures that the integrals are calculated correctly.
IntegrationTest	The IntegrationTest is a JUnit test for the Integration program that ensures that the integrals are calculated correctly.
LambdaGradientTest	Tests test.LambdaGradient command to determine that the end state potentials and derivatives are correct.
LoopClosureTest
ManyBodyTest	Tests many body optimization and the many body groovy script under global, box and monte carlo parameter conditions.
MBARFilesTest
MBARHarmonicOscillatorsTest
MinimizeCrystalsTest	Tests CrystalMin and CrystalMin.groovy scripts for -e -I -f and -c flags.
MinimizeTest	Tests Minimize command to determine if the resulting potential energies with the -e and -I flags works properly.
ModifiedBesselTest
MoveIntoUnitCellTest	Test the Cart2Frac script.
MSNodeTest	Unit tests for the MSNode class.
MTZFilterTest	Test the MTZ Filter.
MultipoleTensorTest	Parameterized Test of the MultipoleTensor class.
MultipoleTestSuite	MultipoleTestSuite collects all Unit tests from the ffx.numerics.multipole package.
NeckIntegralTest
NumericsTestSuite	NumericsTestSuite collects all Unit tests from the ffx.numerics package.
OPLSAAEnergyTest	Test OPLS-AA energy and gradient.
OSTGradientTest
ParentEnergyTest	Test the Energy script.
PhGradientTest	JUnit Tests for the PhGradient Script
PrepareSpaceGroupsTest	Test the Energy script.
QIMultipoleTensorTest	Parameterized Test of the MultipoleTensor class.
QuasiLinearSwitchTest
Real3DParallelTest
Real3DTest
RealspaceManyBodyTest	Tests Real-space many-body optimization.
RealTest
ReflectionListTest	Test the ReflectionList class.
RotamerOptimizationTest	Test the Goldstein elimination criteria for both self and pair eliminations.
SaveAsP1Test	Test the Energy script.
SaveAsPDBTest	Test the SaveAsPDB script.
SaveAsXYZTest	Test the SaveAsXYZ script.
SimulatedAnnealingTest
SolvatorTest
SquareRootTest
SuperposeCrystalsTest	Tests SuperposeCrystals command to verify crystals are being aligned and compared.
SwitchFunctionTest	Test the various switching functions.
ThermodynamicsTest	Tests the functionality of the OST algorithm in Force Field X, both by running a very simple and quick OST run, and setting up a number of systems, comparing output energies and gradients from the starting algorithmConfig.
TimerTest	Test the Energy script.
TorsionTest	Unit tests for the Torsion class.
UniformBSplineTest	Parameterized test of the UniformBSpline class.
VolumeTest	JUnit Tests for the Volume Script
XRayManyBodyTest	Tests X-Ray many body optimization and the X-Ray many body groovy script under varying parameters.
XRayMinimizeTest