edu.duke.cs.osprey/edu.duke.cs.osprey.gui.forcefield.eef1/EEF1ForcefieldParams/AtomParams

AtomParams

inner class AtomParams(type: EEF1.AtomType) : ForcefieldParams.AtomParams

Functions

open operator override fun equals(other: Any?): Boolean

Override equals(), to tell subclasses they should explicitly implement it. The default identity implementation will always be wrong for this application.

hashCode

open override fun hashCode(): Int

internalEnergy

open override fun internalEnergy(): Double?

Return the internal energy for this atom, if any. The atom index comes from the ConfSpaceIndex.

toString

open override fun toString(): String

Properties

type

val type: EEF1.AtomType