core.pbc
Class PBC_TruncOct

java.lang.Object
  core.pbc.PBC
      core.pbc.PBC_TruncOct

public class PBC_TruncOct

extends PBC

reconstructs systems from PBC that use truncated octahedron 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_TruncOct(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_TruncOct

public PBC_TruncOct(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