core.pbc
Class NearestImage

java.lang.Object
  core.pbc.NearestImage

public class NearestImage

extends java.lang.Object

Author:

vincent

Field Summary

static int	rectangularType
static int	truncatedOctahedralType
static int	vacuumType

Constructor Summary

NearestImage()

Method Summary

static void	boxCheck(double[] box)
double[]	nearestImage(double[] v1, double[] v2, double[] box, int boundaryType) Return the nearest image of v2 with respect to v1.
double[]	nearestImageRectangular(double[] v1, double[] v2, double[] box) The nearest image of v2 with respect to v1 under rectangular boundary conditions.
double[]	nearestImageTruncatedOctahedron(double[] v1, double[] v2, double[] box) The nearest image of v2 with respect to v1 under truncated octahedral boundary conditions.
double[]	nearestImageVacuum(double[] v1, double[] v2, double[] box) The nearest image of v2 with respect to v1.

Methods inherited from class java.lang.Object

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

Field Detail

vacuumType

public static final int vacuumType

See Also:

Constant Field Values

rectangularType

public static final int rectangularType

See Also:

Constant Field Values

truncatedOctahedralType

public static final int truncatedOctahedralType

See Also:

Constant Field Values

Constructor Detail

NearestImage

public NearestImage()

Method Detail

boxCheck

public static void boxCheck(double[] box)

nearestImage

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

Return the nearest image of v2 with respect to v1.

Parameters:

v1 -

v2 -

box -

Returns:

the position of the nearest image of v2

nearestImageVacuum

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

The nearest image of v2 with respect to v1. Under non-periodic boundary conditions, that's just v2.

Parameters:

v1 -

v2 -

box -

Returns:

v2

nearestImageRectangular

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

The nearest image of v2 with respect to v1 under rectangular boundary conditions.

Parameters:

v1 -

v2 -

box -

Returns:

nearestImageTruncatedOctahedron

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

The nearest image of v2 with respect to v1 under truncated octahedral boundary conditions.

Parameters:

v1 -

v2 -

box -

Returns: