org.wallerlab.yoink.molecular.service.calculator

Class SortedDistancesCalculator

java.lang.Object

org.wallerlab.yoink.molecular.service.calculator.SortedDistancesCalculator

All Implemented Interfaces:

Calculator<java.util.Map<Molecule,java.lang.Double>,Coord,java.util.Set<Molecule>>

@Service
public class SortedDistancesCalculator
extends java.lang.Object
implements Calculator<java.util.Map<Molecule,java.lang.Double>,Coord,java.util.Set<Molecule>>

This class is to get the sortedDistances which is a Map(molecule as key and distance as value) sorted by distance in ascending way. And the distance is between the center mass of a molecule and one point.

Constructor Summary

Constructors

Constructor and Description
SortedDistancesCalculator()

Method Summary

Modifier and Type	Method and Description
java.util.Map<Molecule,java.lang.Double>	calculate(Coord centerCoord, java.util.Set<Molecule> molecules) This method is to calculate the distances between molecules and a point, make a map(sortedDistances) for molecule(as key) and corresponding distance(as value), and sort the map by distance.

Methods inherited from class java.lang.Object

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

Constructor Detail

SortedDistancesCalculator

public SortedDistancesCalculator()

Method Detail

calculate

public java.util.Map<Molecule,java.lang.Double> calculate(Coord centerCoord,
                                                          java.util.Set<Molecule> molecules)

This method is to calculate the distances between molecules and a point, make a map(sortedDistances) for molecule(as key) and corresponding distance(as value), and sort the map by distance.

Specified by:

calculate in interface Calculator<java.util.Map<Molecule,java.lang.Double>,Coord,java.util.Set<Molecule>>

Parameters:

centerCoord - -Coord

molecules - - a Set of molecules

Returns:

sortedDistance - a Map, molecule as key and distance as value