Package ffx.numerics.math

Class HilbertCurveTransforms

java.lang.Object

ffx.numerics.math.HilbertCurveTransforms

public class HilbertCurveTransforms
extends Object

HilbertCurveTransforms is a class that provides static methods for converting between Hilbert indices and coordinates. This is used in the torsion scan of crystals. This implementation is based on the one in OpenMM, which in turn is based on Rice Universities implementation. GPT4.0 was used to convert the c++ code to Java. The copyright is in the ForceFieldX code base under Licenses/openmm-license/hilbert-curve-license.txt.

Method Summary

Modifier and Type	Method	Description
static long[]	hilbertIndexToCoordinates(int nBonds, int nBitsPerDim, long index)	Convert a Hilbert index to coordinates.
static void	main(String[] args)	Main method for testing the Hilbert curve transforms.

Methods inherited from class java.lang.Object

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

Method Details

hilbertIndexToCoordinates

public static long[] hilbertIndexToCoordinates(int nBonds,
 int nBitsPerDim,
 long index)

Convert a Hilbert index to coordinates.

Parameters:

nBonds - Number of bonds.

nBitsPerDim - Number of bits per dimension.

index - Hilbert index.

Returns:

Coordinates.

main

public static void main(String[] args)

Main method for testing the Hilbert curve transforms.

Parameters:

args - Command line arguments.