Package ffx.potential.nonbonded.pme

Enum Class AlchemicalParameters.AlchemicalMode

java.lang.Object

java.lang.Enum<AlchemicalParameters.AlchemicalMode>

ffx.potential.nonbonded.pme.AlchemicalParameters.AlchemicalMode

All Implemented Interfaces:

Serializable, Comparable<AlchemicalParameters.AlchemicalMode>, Constable

Enclosing class:

AlchemicalParameters

public static enum AlchemicalParameters.AlchemicalMode
extends Enum<AlchemicalParameters.AlchemicalMode>

For OST mode, we are calculating analytic dU/dL, d2U/dL2 and d2U/dL/dX for the permanent and polarization energy terms.

For SCALE mode, the permanent multipoles and polarizabilities are scaled by lambda for alchemical atoms.

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
OST
SCALE

Method Summary

Modifier and Type	Method	Description
static AlchemicalParameters.AlchemicalMode	valueOf(String name)	Returns the enum constant of this class with the specified name.
static AlchemicalParameters.AlchemicalMode[]	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

OST

public static final AlchemicalParameters.AlchemicalMode OST

SCALE

public static final AlchemicalParameters.AlchemicalMode SCALE

Method Details

values

public static AlchemicalParameters.AlchemicalMode[] 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 AlchemicalParameters.AlchemicalMode 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