Package ffx.potential.parameters

Enum Class BondType.BondFunction

java.lang.Object

java.lang.Enum<BondType.BondFunction>

ffx.potential.parameters.BondType.BondFunction

All Implemented Interfaces:

Serializable, Comparable<BondType.BondFunction>, Constable

Enclosing class:

BondType

public static enum BondType.BondFunction
extends Enum<BondType.BondFunction>

Describes the function used by the bond. Currently supported: harmonic and quartic with flat-bottom variants.

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
FLAT_BOTTOM_HARMONIC
FLAT_BOTTOM_QUARTIC
HARMONIC
QUARTIC

Method Summary

Modifier and Type	Method	Description
boolean	hasFlatBottom()	Returns whether this BondFunction has a flat bottom.
String	toMathematicalForm()	Returns the form of this bond as a mathematical expression parsable by OpenMM.
static BondType.BondFunction	valueOf(String name)	Returns the enum constant of this class with the specified name.
static BondType.BondFunction[]	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

HARMONIC

public static final BondType.BondFunction HARMONIC

QUARTIC

public static final BondType.BondFunction QUARTIC

FLAT_BOTTOM_HARMONIC

public static final BondType.BondFunction FLAT_BOTTOM_HARMONIC

FLAT_BOTTOM_QUARTIC

public static final BondType.BondFunction FLAT_BOTTOM_QUARTIC

Method Details

values

public static BondType.BondFunction[] 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 BondType.BondFunction 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

hasFlatBottom

public boolean hasFlatBottom()

Returns whether this BondFunction has a flat bottom.

Returns:

Flat bottom.

toMathematicalForm

public String toMathematicalForm()

Returns the form of this bond as a mathematical expression parsable by OpenMM.

Returns:

A string describing mathematical form.