Package ffx.algorithms.dynamics

Enum Class MolecularDynamics.DynamicsEngine

java.lang.Object

java.lang.Enum<MolecularDynamics.DynamicsEngine>

ffx.algorithms.dynamics.MolecularDynamics.DynamicsEngine

All Implemented Interfaces:

Serializable, Comparable<MolecularDynamics.DynamicsEngine>, Constable

Enclosing class:

MolecularDynamics

public static enum MolecularDynamics.DynamicsEngine
extends Enum<MolecularDynamics.DynamicsEngine>

Enumerates available molecular dynamics engines; presently limited to the FFX reference engine and the OpenMM engine.

Distinct from the force field energy Platform, as the FFX engine can use OpenMM energies, but not vice-versa.

Nested Class Summary

Nested classes/interfaces inherited from class java.lang.Enum

Enum.EnumDesc<E extends Enum<E>>

Enum Constant Summary

Enum Constants

Enum Constant	Description
FFX
OMM
OPENMM

Method Summary

Modifier and Type	Method	Description
EnumSet<ForceFieldEnergy.Platform>	getSupportedPlatforms()	Gets the set of Platforms supported by this DynamicsEngine
boolean	supportsPlatform(ForceFieldEnergy.Platform platform)	Checks if this energy Platform is supported by this DynamicsEngine
static MolecularDynamics.DynamicsEngine	valueOf(String name)	Returns the enum constant of this class with the specified name.
static MolecularDynamics.DynamicsEngine[]	values()	Returns an array containing the constants of this enum class, in the order they are declared.

Methods inherited from class java.lang.Enum

clone, compareTo, describeConstable, equals, finalize, getDeclaringClass, hashCode, name, ordinal, toString, valueOf

Methods inherited from class java.lang.Object

getClass, notify, notifyAll, wait, wait, wait

Enum Constant Details

FFX

public static final MolecularDynamics.DynamicsEngine FFX

OMM

public static final MolecularDynamics.DynamicsEngine OMM

OPENMM

public static final MolecularDynamics.DynamicsEngine OPENMM

Method Details

values

public static MolecularDynamics.DynamicsEngine[] values()

Returns an array containing the constants of this enum class, in the order they are declared.

Returns:

an array containing the constants of this enum class, in the order they are declared

valueOf

public static MolecularDynamics.DynamicsEngine valueOf(String name)

Returns the enum constant of this class with the specified name. The string must match exactly an identifier used to declare an enum constant in this class. (Extraneous whitespace characters are not permitted.)

Parameters:

name - the name of the enum constant to be returned.

Returns:

the enum constant with the specified name

Throws:

IllegalArgumentException - if this enum class has no constant with the specified name

NullPointerException - if the argument is null

getSupportedPlatforms

public EnumSet<ForceFieldEnergy.Platform> getSupportedPlatforms()

Gets the set of Platforms supported by this DynamicsEngine

Returns:

An EnumSet

supportsPlatform

public boolean supportsPlatform(ForceFieldEnergy.Platform platform)

Checks if this energy Platform is supported by this DynamicsEngine

Parameters:

platform - The requested platform.

Returns:

If supported