energy
Class PositionUtils

java.lang.Object
  energy.PositionUtils

public class PositionUtils

extends java.lang.Object

Constructor Summary

PositionUtils()
The PositionsUtils class constructor.

Method Summary

(package private) static double[]	cog(Particles atoms, SimSystem sys) Method cog calculates the center of geometry for the system
(package private) static double[]	com(Particles atoms, SimSystem sys) Method cog calculates the center of mass for the system
static void	G96radii(Particles atoms, SimSystem sys)
static double[]	MaxMinCoordinate(Particles atoms, java.lang.String axis)
static double[]	MaxMinCoordinate3D(Particles atoms)
static double[]	MaxMinCoordinate3DinclRadii(Particles atoms)
double[]	MaxMinHeavyAtomCoordinate3D(Particles atoms, SimSystem sys)
(package private) static void	shiftCOGin1stquadrant(Particles atoms, SimSystem sys)
static void	StillradiibyIAC(Particles atoms)

Methods inherited from class java.lang.Object

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

Constructor Detail

PositionUtils

public PositionUtils()

The PositionsUtils class constructor.

Method Detail

shiftCOGin1stquadrant

static void shiftCOGin1stquadrant(Particles atoms,
                                  SimSystem sys)

cog

static double[] cog(Particles atoms,
                    SimSystem sys)

Method cog calculates the center of geometry for the system

Parameters:

atoms - Particles in the system

sys - the SimSystem to be used

com

static double[] com(Particles atoms,
                    SimSystem sys)

Method cog calculates the center of mass for the system

Parameters:

atoms - Particles in the system

sys - the SimSystem to be used

MaxMinCoordinate

public static double[] MaxMinCoordinate(Particles atoms,
                                        java.lang.String axis)

MaxMinCoordinate3D

public static double[] MaxMinCoordinate3D(Particles atoms)

MaxMinCoordinate3DinclRadii

public static double[] MaxMinCoordinate3DinclRadii(Particles atoms)

MaxMinHeavyAtomCoordinate3D

public double[] MaxMinHeavyAtomCoordinate3D(Particles atoms,
                                            SimSystem sys)

G96radii

public static void G96radii(Particles atoms,
                            SimSystem sys)

StillradiibyIAC

public static void StillradiibyIAC(Particles atoms)