core.pbc
Class PBC_RectBox

java.lang.Object
  core.pbc.PBC
      core.pbc.PBC_RectBox

public class PBC_RectBox

extends PBC

Reconstructs systems from PBC that use rectangular box boundary conditions.

Since:

0.1

Version:

0.1, November 2002

Author:

Mika Kastenholz

Nested Class Summary

Nested classes inherited from class core.pbc.PBC

PBC.ByMoleculeGatherer, PBC.CoGGatherer, PBC.G96Gatherer, PBC.Gatherer, PBC.InBoxGatherer

Field Summary

Fields inherited from class core.pbc.PBC

gatherMethod

Constructor Summary

PBC_RectBox(java.lang.String gatherName)

Method Summary

double[]

nearestImage(double[] v1, double[] v2, double[] box) Return the nearest image of v2 with respect to v1.

Methods inherited from class core.pbc.PBC

boxCheck, gather, getPbc

Methods inherited from class java.lang.Object

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

Constructor Detail

PBC_RectBox

public PBC_RectBox(java.lang.String gatherName)
            throws java.lang.IllegalArgumentException

Parameters:

gatherName -

Throws:

java.lang.IllegalArgumentException

Method Detail

nearestImage

public double[] nearestImage(double[] v1,
                             double[] v2,
                             double[] box)

Description copied from class: PBC

Return the nearest image of v2 with respect to v1.

Overrides:

nearestImage in class PBC

Parameters:

v1 -

v2 -

box -

Returns:

the position of the nearest image of v2