astex
Class ModellingData

java.lang.Object
  astex.ModellingData

public class ModellingData
extends java.lang.Object

Field Summary

double	energy The energy associated with this object.
Point3d	gradient The gradient associated with this object.
double	radius The radius for non-bonded interactions.

Constructor Summary

ModellingData()

Method Summary

Methods inherited from class java.lang.Object

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

Field Detail

gradient

public Point3d gradient

The gradient associated with this object.

energy

public double energy

The energy associated with this object.

radius

public double radius

The radius for non-bonded interactions.

Constructor Detail

ModellingData

public ModellingData()