org.wallerlab.yoink.molecular.service.calculator

Class ClosestDistanceToMoleculeCalculator

java.lang.Object

org.wallerlab.yoink.molecular.service.calculator.ClosestDistanceToMoleculeCalculator

All Implemented Interfaces:

Calculator<java.lang.Double,Coord,Molecule>

@Service
public class ClosestDistanceToMoleculeCalculator
extends java.lang.Object
implements Calculator<java.lang.Double,Coord,Molecule>

This class is to calculate the closest distance between one point in space and a molecule

Constructor Summary

Constructors

Constructor and Description
ClosestDistanceToMoleculeCalculator()

Method Summary

Modifier and Type	Method and Description
java.lang.Double	calculate(Coord gridCoord, Molecule molecule) calculate the distance minimum between a coordinate and a molecule.

Methods inherited from class java.lang.Object

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

Constructor Detail

ClosestDistanceToMoleculeCalculator

public ClosestDistanceToMoleculeCalculator()

Method Detail

calculate

public java.lang.Double calculate(Coord gridCoord,
                                  Molecule molecule)

calculate the distance minimum between a coordinate and a molecule.

Specified by:

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

Parameters:

gridCoord - -Coord

molecule - -Molecule

Returns:

density -Double