org.wallerlab.yoink.molecular.service.calculator

Class CenterOfMassComputer

java.lang.Object

org.wallerlab.yoink.molecular.service.calculator.CenterOfMassComputer

All Implemented Interfaces:

Computer<Coord,java.util.Set<Molecule>>

@Service
public class CenterOfMassComputer
extends java.lang.Object
implements Computer<Coord,java.util.Set<Molecule>>

This class is to get the center of mass for a set of molecules. e.g. molecules in a region.

Constructor Summary

Constructors

Constructor and Description
CenterOfMassComputer()

Method Summary

Modifier and Type	Method and Description
Coord	calculate(java.util.Set<Molecule> molecules) calculate the center of mass of molecules.

Methods inherited from class java.lang.Object

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

Constructor Detail

CenterOfMassComputer

public CenterOfMassComputer()

Method Detail

calculate

public Coord calculate(java.util.Set<Molecule> molecules)

calculate the center of mass of molecules.

Specified by:

calculate in interface Computer<Coord,java.util.Set<Molecule>>

Parameters:

molecules - - a set of Molecules

Returns:

centerCoord Coord