ffe.net
Class TinkerUpdate

java.lang.Object
  ffe.net.TinkerUpdate

All Implemented Interfaces:

java.io.Serializable

public class TinkerUpdate

extends java.lang.Object

implements java.io.Serializable

The TinkerUpdate class is a serializable wrapper for TINKER simulation data that changes during a simulation.

See Also:

Serialized Form

Field Summary

double[][]	acceleration
boolean	amoeba
double[][]	coordinates
double	density
double	energy
double[][]	gradients
double[][]	induced
double	intermolecular
double	kinetic
static int	NONE
int	numatoms
static int	OPTIMIZATION
double	potential
double	pressure
boolean	read
static int	SIMULATION
int	step
double	temperature
double	time
int	type
double[][]	velocity

Constructor Summary

TinkerUpdate(int n, int t, boolean a)

Method Summary

boolean	isNewer(FMessage message)
void	print()

Methods inherited from class java.lang.Object

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

Field Detail

read

public boolean read

type

public int type

numatoms

public int numatoms

coordinates

public double[][] coordinates

time

public double time

temperature

public double temperature

energy

public double energy

potential

public double potential

kinetic

public double kinetic

intermolecular

public double intermolecular

pressure

public double pressure

density

public double density

velocity

public double[][] velocity

acceleration

public double[][] acceleration

step

public int step

gradients

public double[][] gradients

amoeba

public boolean amoeba

induced

public double[][] induced

NONE

public static int NONE

SIMULATION

public static int SIMULATION

OPTIMIZATION

public static int OPTIMIZATION

Constructor Detail

TinkerUpdate

public TinkerUpdate(int n,
                    int t,
                    boolean a)

Method Detail

print

public void print()

isNewer

public boolean isNewer(FMessage message)