org.wallerlab.yoink.service.clustering

Class InteractionSet

java.lang.Object

org.wallerlab.yoink.service.clustering.InteractionSet

@Service
public class InteractionSet
extends java.lang.Object

This class is to get all pairs having interaction(yes or no) base on DORI analysis.

Field Summary

Fields

Modifier and Type	Field and Description
protected Calculator<DensityPoint,java.util.Set<Atom>,Coord>	densityPropertiesCalculator
protected FilesReader<RadialGrid,java.lang.String>	radialGridReader

Constructor Summary

Constructors

Constructor and Description
InteractionSet()

Method Summary

Modifier and Type	Method and Description
protected void	checkCriteria(java.util.Map<Region.Name,Region> regions, java.util.List<java.util.List<java.lang.Integer>> pairList, GridPoint gridPoint, java.util.Set<Molecule> neighbours, java.util.List<java.lang.Integer> pair, java.util.Map<JobParameter,java.lang.Object> parameters, java.util.List<java.lang.Double> weightList, java.util.Set<java.util.Set<java.lang.Integer>> interactionSet)
void	getDoriInteractionSet(Job job)

Methods inherited from class java.lang.Object

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

Field Detail

densityPropertiesCalculator

protected Calculator<DensityPoint,java.util.Set<Atom>,Coord> densityPropertiesCalculator

radialGridReader

protected FilesReader<RadialGrid,java.lang.String> radialGridReader

Constructor Detail

InteractionSet

public InteractionSet()

Method Detail

getDoriInteractionSet

public void getDoriInteractionSet(Job job)

checkCriteria

protected void checkCriteria(java.util.Map<Region.Name,Region> regions,
                             java.util.List<java.util.List<java.lang.Integer>> pairList,
                             GridPoint gridPoint,
                             java.util.Set<Molecule> neighbours,
                             java.util.List<java.lang.Integer> pair,
                             java.util.Map<JobParameter,java.lang.Object> parameters,
                             java.util.List<java.lang.Double> weightList,
                             java.util.Set<java.util.Set<java.lang.Integer>> interactionSet)