meshi.energy.simpleEnergyTerms.compositeTorsions.compositePropensity2DwithPP
Class CompositePropensity2DParameters

java.lang.Object
  meshi.energy.simpleEnergyTerms.compositeTorsions.compositePropensity2DwithPP.CompositePropensity2DParameters

All Implemented Interfaces:

Parameters, CompositeTorsionsDefinitions

public class CompositePropensity2DParameters
extends java.lang.Object
implements Parameters, CompositeTorsionsDefinitions

Field Summary

private SplinedPolynomial	omniPolynomial the omni polynomial
private SplinedPolynomial	propPolynomial propensity polynomial for this residue
private int	residueType residue type

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

CompositePropensity2DParameters(int residueType, SplinedPolynomialsLoader spl)

Method Summary

double	evaluate(int derivVar, ResidueTorsions resTorsions)
int	getResidueType() returns rotamer's residue type

Methods inherited from class java.lang.Object

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

Field Detail

residueType

private final int residueType

residue type

propPolynomial

private SplinedPolynomial propPolynomial

propensity polynomial for this residue

omniPolynomial

private SplinedPolynomial omniPolynomial

the omni polynomial

Constructor Detail

CompositePropensity2DParameters

public CompositePropensity2DParameters(int residueType,
                                       SplinedPolynomialsLoader spl)

Method Detail

getResidueType

public int getResidueType()

returns rotamer's residue type

evaluate

public double evaluate(int derivVar,
                       ResidueTorsions resTorsions)