Package org.rcsb.strucmotif.domain.motif

Class ResiduePairDescriptor

java.lang.Object

org.rcsb.strucmotif.domain.motif.ResiduePairDescriptor

public class ResiduePairDescriptor
extends Object

Captures all properties of a residue pair (i.e. types, distances and angle).

Constructor Summary

Constructors

Constructor	Description
ResiduePairDescriptor(ResidueType residueType1, ResidueType residueType2, DistanceType backboneDistance, DistanceType sideChainDistance, AngleType angle)	Construct a residue pair descriptor capturing all properties of this pair.

Method Summary

Modifier and Type	Method	Description
boolean	equals(Object o)
AngleType	getAngle()	Binned angle for this pair.
DistanceType	getBackboneDistance()	Binned backbone distance for this pair.
ResidueType	getResidueType1()	Residue type (label_comp_id) of first element.
ResidueType	getResidueType2()	Residue type (label_comp_id) of second element.
DistanceType	getSideChainDistance()	Binned side-chain distance for this pair.
int	hashCode()
boolean	isFlipped()	We have to keep track whether this descriptor should match an original one (i.e.
String	toString()

Methods inherited from class java.lang.Object

clone, finalize, getClass, notify, notifyAll, wait, wait, wait

Constructor Details

ResiduePairDescriptor

public ResiduePairDescriptor(ResidueType residueType1,
 ResidueType residueType2,
 DistanceType backboneDistance,
 DistanceType sideChainDistance,
 AngleType angle)

Construct a residue pair descriptor capturing all properties of this pair.

Parameters:

residueType1 - the first type

residueType2 - the second type

backboneDistance - the backbone distance

sideChainDistance - the side-chain distance

angle - the angle

Method Details

getResidueType1

public ResidueType getResidueType1()

Residue type (label_comp_id) of first element.

Returns:

a residue type

getResidueType2

public ResidueType getResidueType2()

Residue type (label_comp_id) of second element.

Returns:

a residue type

getBackboneDistance

public DistanceType getBackboneDistance()

Binned backbone distance for this pair.

Returns:

a distance type

getSideChainDistance

public DistanceType getSideChainDistance()

Binned side-chain distance for this pair.

Returns:

a distance type

getAngle

public AngleType getAngle()

Binned angle for this pair.

Returns:

an angle type

equals

public boolean equals(Object o)

Overrides:

equals in class Object

hashCode

public int hashCode()

Overrides:

hashCode in class Object

toString

public String toString()

Overrides:

toString in class Object

isFlipped

public boolean isFlipped()

We have to keep track whether this descriptor should match an original one (i.e. during a position-specific exchange) but was flipped in order to library contract (e.g. GH - HIS is replaced by ALA - will become AG).

Returns:

true if flipped and special care must be taken during overlap computation (otherwise all overlap values would be mismatching)