meshi.energy.linearRG
Class LinearRgEnergy

java.lang.Object
  meshi.energy.AbstractEnergy
      meshi.energy.CooperativeEnergyTerm
          meshi.energy.linearRG.LinearRgEnergy

All Implemented Interfaces:

Attributable, Updateable

public class LinearRgEnergy
extends CooperativeEnergyTerm

Nested Class Summary

Nested classes/interfaces inherited from class meshi.energy.AbstractEnergy

AbstractEnergy.UpdateableList

Field Summary

private RgCalculator	rgCalculator
private double	targetRG

Fields inherited from class meshi.energy.CooperativeEnergyTerm

atomList, coordinates, dm, DX, parameters, relativeDiffTolerance, verySmall, XYZ

Fields inherited from class meshi.energy.AbstractEnergy

comment, filter, INFINITY, NaN, on, updateableResources, weight

Constructor Summary

LinearRgEnergy()

LinearRgEnergy(AtomList atomList, double weight, double targetRG, RgCalculator rgCalculator)

Method Summary

double	evaluate() Evaluates the energy term and update the derivatives.
void	evaluateAtoms() Evaluates the energy term and devides the energy between the atoms.

Methods inherited from class meshi.energy.CooperativeEnergyTerm

test

Methods inherited from class meshi.energy.AbstractEnergy

addAttribute, comment, getAttribute, handleMissingParameters, isOn, off, on, toArray, toArray, toArray, toArray, toString, update

Methods inherited from class java.lang.Object

clone, equals, finalize, getClass, hashCode, notify, notifyAll, wait, wait, wait

Field Detail

targetRG

private double targetRG

rgCalculator

private RgCalculator rgCalculator

Constructor Detail

LinearRgEnergy

public LinearRgEnergy()

LinearRgEnergy

public LinearRgEnergy(AtomList atomList,
                      double weight,
                      double targetRG,
                      RgCalculator rgCalculator)

Method Detail

evaluateAtoms

public void evaluateAtoms()

Description copied from class: AbstractEnergy

Evaluates the energy term and devides the energy between the atoms. The energy field of each atom is assigned a value - its contribution to the total energy sum.

Specified by:

evaluateAtoms in class AbstractEnergy

evaluate

public double evaluate()

Description copied from class: AbstractEnergy

Evaluates the energy term and update the derivatives.

Specified by:

evaluate in class AbstractEnergy