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.

Constructor Summary

Constructors

Constructor	Description
HilbertCurveTransforms()

Method Summary

Modifier and Type	Method	Description
static long	coordinatesToHilbertIndex(int nDims, int nBits, long[] coord)
static long[]	hilbertIndexToCoordinates(int nBonds, int nBitsPerDim, long index)
static void	main(String[] args)

Methods inherited from class java.lang.Object

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

Constructor Details

HilbertCurveTransforms

public HilbertCurveTransforms()

Method Details

hilbertIndexToCoordinates

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

coordinatesToHilbertIndex

public static long coordinatesToHilbertIndex(int nDims,
 int nBits,
 long[] coord)

main

public static void main(String[] args)