org.wallerlab.yoink.density.service.density

Class AtomicDensityRatioCalculator

java.lang.Object

org.wallerlab.yoink.density.service.density.AtomicDensityRatioCalculator

All Implemented Interfaces:

Calculator<java.lang.Double,Coord,Atom[]>

@Service
public class AtomicDensityRatioCalculator
extends java.lang.Object
implements Calculator<java.lang.Double,Coord,Atom[]>

this class is to get the density ratio between two atoms on a grid point.

Constructor Summary

Constructors

Constructor and Description
AtomicDensityRatioCalculator()

Method Summary

Modifier and Type	Method and Description
java.lang.Double	calculate(Coord coordinate, Atom[] neighbours) the density ratio of two atoms on a grid point.

Methods inherited from class java.lang.Object

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

Constructor Detail

AtomicDensityRatioCalculator

public AtomicDensityRatioCalculator()

Method Detail

calculate

public java.lang.Double calculate(Coord coordinate,
                                  Atom[] neighbours)

the density ratio of two atoms on a grid point.

Specified by:

calculate in interface Calculator<java.lang.Double,Coord,Atom[]>

Parameters:

coordinate - -Coord

neighbours - - an array of two atoms Atom.

Returns:

the density ratio of two atoms in neighbours