Package ffx.potential.nonbonded.octree

Class OctreeCell

java.lang.Object
ffx.potential.nonbonded.octree.OctreeCell
public class OctreeCell extends Object
OctreeCell: Object class for Octree method presented in the Fast Multipole Method (FMM) tutorial from the Barba Group: https://github.com/barbagroup/FMM_tutorial

  • Constructor Details

    • OctreeCell

      public OctreeCell(int nCritical)

  • Method Details

    • addToMultipole

      public void addToMultipole(double[] calculatedMultipole)

    • getChildAtIndex

      public int getChildAtIndex(int octant)

    • getLeavesValueAtIndex

      public int getLeavesValueAtIndex(int index)

    • getMultipole

      public double[] getMultipole()

    • getNumLeaves

      public int getNumLeaves()

    • setNumLeaves

      public void setNumLeaves(int num)

    • getParentIndex

      public int getParentIndex()

    • setParentIndex

      public void setParentIndex(int p)

    • getR

      public double getR()
      Returns cell radius
      Returns:
      Returns the cell radius.

    • setR

      public void setR(double r)
      Sets cell radius
      Parameters:
      r - The radius.

    • getX

      public double getX()
      Gets x coordinate of center of cell
      Returns:
      Returns the x coordinate for center of the cell.

    • setX

      public void setX(double x)
      Sets x coordinate of center of cell
      Parameters:
      x - Cell x-coordinate.

    • getY

      public double getY()
      Gets y coordinate of center of cell
      Returns:
      Returns the y coordinate for center of the cell.

    • setY

      public void setY(double y)
      Sets y coordinate of center of cell
      Parameters:
      y - Cell y-coordinate.

    • getZ

      public double getZ()
      Gets z coordinate of center of cell
      Returns:
      Returns the z coordinate for center of the cell.

    • setZ

      public void setZ(double z)
      Sets z coordinate of center of cell
      Parameters:
      z - Cell z-coordinate.

    • getnChild

      public int getnChild()

    • setnChild

      public void setnChild(int num)

    • setChildren

      public void setChildren(int octant, int c)

    • setLeaf

      public void setLeaf(int index, int leaf)

    • setnCritical

      public void setnCritical(int nCrit)