meshi.energy.simpleEnergyTerms.compositeTorsions.compositePropensity
Class CompositePropensityEnergyElement

java.lang.Object
  meshi.energy.EnergyElement
      meshi.energy.simpleEnergyTerms.compositeTorsions.compositePropensity.CompositePropensityEnergyElement

All Implemented Interfaces:

CompositeTorsionsDefinitions

public class CompositePropensityEnergyElement
extends EnergyElement
implements CompositeTorsionsDefinitions

Field Summary

protected CompositePropensityParameters	cpp
protected ResidueTorsions	residueTorsions
(package private) int	residueTypeIndex
protected double	weight

Fields inherited from class meshi.energy.EnergyElement

atoms, dFormatSrt, dFormatStd, DX, frozen, relativeDiffTolerance, VERY_SMALL, XYZ

Fields inherited from interface meshi.energy.simpleEnergyTerms.compositeTorsions.CompositeTorsionsDefinitions

ALL, CHI_1, CHI_2, CHI_3, CHI_4, COIL, HELIX, NUM_SIDECHAIN_TORSIONS, OMG, OMNI, PHI, POLYNOMIAL_CHI_1, POLYNOMIAL_CHI_1_CHI_2, POLYNOMIAL_CHI_1_CHI_2_TORSIONS, POLYNOMIAL_CHI_1_CHI_3, POLYNOMIAL_CHI_1_CHI_3_TORSIONS, POLYNOMIAL_CHI_1_CHI_4, POLYNOMIAL_CHI_1_CHI_4_TORSIONS, POLYNOMIAL_CHI_1_TORSIONS, POLYNOMIAL_PHI_PSI, POLYNOMIAL_PHI_PSI_CHI_1, POLYNOMIAL_PHI_PSI_CHI_1_TORSIONS, POLYNOMIAL_PHI_PSI_TORSIONS, PREPRO, PSI, SHEET, TOTAL_TORSION_ANGLES, UNIDENTIFIED_TORSION_TYPE

Constructor Summary

CompositePropensityEnergyElement(ResidueTorsions residueTorsions, CompositePropensityParameters cpp, double weight)

Method Summary

double	evaluate()
protected void	setAtoms()

Methods inherited from class meshi.energy.EnergyElement

atoms, evaluateAtoms, frozen, test, updateFrozen

Methods inherited from class java.lang.Object

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

Field Detail

residueTorsions

protected ResidueTorsions residueTorsions

cpp

protected CompositePropensityParameters cpp

weight

protected double weight

residueTypeIndex

int residueTypeIndex

Constructor Detail

CompositePropensityEnergyElement

public CompositePropensityEnergyElement(ResidueTorsions residueTorsions,
                                        CompositePropensityParameters cpp,
                                        double weight)

Method Detail

setAtoms

protected void setAtoms()

Specified by:

setAtoms in class EnergyElement

evaluate

public double evaluate()

Specified by:

evaluate in class EnergyElement