org.biojava.nbio.structure.symmetry.core

Class RotationGroup

java.lang.Object

org.biojava.nbio.structure.symmetry.core.RotationGroup

public class RotationGroup
extends Object

Author:

Peter

Constructor Summary

Constructors

Constructor and Description
RotationGroup()

Method Summary

Modifier and Type	Method and Description
void	addRotation(Rotation rotation)
void	complete()
int	getHigherOrderRotationAxis()
int	getOrder()
String	getPointGroup()
int	getPrincipalAxisIndex()
Rotation	getRotation(int index)
QuatSymmetryScores	getScores() Returns QuatSymmetryScores averaged over all rotations (except the first rotation, which is the unit operation E)
int	getTwoFoldsPerpendicular()
boolean	isComplete()
void	removeRotation(int index)
void	setC1(int n)
void	setSymmetryDeviation(double symmetryDeviation)
void	sortByFoldDecending()
String	toString()

Methods inherited from class java.lang.Object

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

Constructor Detail

RotationGroup

public RotationGroup()

Method Detail

getOrder

public int getOrder()

getRotation

public Rotation getRotation(int index)

addRotation

public void addRotation(Rotation rotation)

setC1

public void setC1(int n)

removeRotation

public void removeRotation(int index)

complete

public void complete()

getPointGroup

public String getPointGroup()

getScores

public QuatSymmetryScores getScores()

Returns QuatSymmetryScores averaged over all rotations (except the first rotation, which is the unit operation E)

Returns:

mean scores average over rotations

setSymmetryDeviation

public void setSymmetryDeviation(double symmetryDeviation)

Parameters:

symmetryDeviation - the symmetryDeviation to set

isComplete

public boolean isComplete()

toString

public String toString()

Overrides:

toString in class Object

getHigherOrderRotationAxis

public int getHigherOrderRotationAxis()

getTwoFoldsPerpendicular

public int getTwoFoldsPerpendicular()

getPrincipalAxisIndex

public int getPrincipalAxisIndex()

sortByFoldDecending

public void sortByFoldDecending()