meshi.energy.simpleEnergyTerms.compositeTorsions.ramachandran
Class RamachandranEnergyElement

java.lang.Object
  meshi.energy.EnergyElement
      meshi.energy.simpleEnergyTerms.compositeTorsions.ramachandran.RamachandranEnergyElement

All Implemented Interfaces:

CompositeTorsionsDefinitions

public class RamachandranEnergyElement
extends EnergyElement
implements CompositeTorsionsDefinitions

Field Summary

RamachandranParameters	cpp
ResidueTorsions	residueTorsions
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

RamachandranEnergyElement(ResidueTorsions residueTorsions, RamachandranParameters 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

public final ResidueTorsions residueTorsions

cpp

public final RamachandranParameters cpp

weight

protected double weight

Constructor Detail

RamachandranEnergyElement

public RamachandranEnergyElement(ResidueTorsions residueTorsions,
                                 RamachandranParameters 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