edu.sdsc.mbt.util
Class AtomStats

java.lang.Object
  edu.sdsc.mbt.util.AtomStats

public class AtomStats

extends java.lang.Object

The AtomStats class provides a number of static methods for computing useful information about a collection of Atom objects.

Author:

John L. Moreland

See Also:

Constructor Summary

AtomStats()

Method Summary

static double[]	getAtomCoordinateAverage(Structure structure) Return the coordinate average for a Structure's atom coordinates.
static double[][]	getAtomCoordinateBounds(Structure structure) Return the coordinate bounds for given a Structure.

Methods inherited from class java.lang.Object

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

Constructor Detail

AtomStats

public AtomStats()

Method Detail

getAtomCoordinateBounds

public static double[][] getAtomCoordinateBounds(Structure structure)

Return the coordinate bounds for given a Structure.

double[0][0] = min x
double[0][1] = min y
double[0][2] = min z
double[1][0] = max x
double[1][1] = max y
double[1][2] = max z

getAtomCoordinateAverage

public static double[] getAtomCoordinateAverage(Structure structure)
                                         throws java.lang.IllegalArgumentException

Return the coordinate average for a Structure's atom coordinates.

double[0] = x
double[1] = y
double[2] = z

Throws:

java.lang.IllegalArgumentException