Package org.jmol.util

Class BoxInfo

java.lang.Object
org.jmol.util.BoxInfo
public class BoxInfo extends Object
The BoxInfo class holds critical information about boundboxes. These are simple tetragonal spaces lined up with x,y,z.

  • Field Details

    • X

      public static final int X
      See Also:

    • Y

      public static final int Y
      See Also:

    • Z

      public static final int Z
      See Also:

    • XYZ

      public static final int XYZ
      See Also:

    • bbCorner0

      public final P3 bbCorner0

    • bbCorner1

      public final P3 bbCorner1

    • bbcageTickEdges

      public static char[] bbcageTickEdges

    • uccageTickEdges

      public static char[] uccageTickEdges

    • edges

      public static final byte[] edges

    • faceOrder

      public static final int[] faceOrder

    • facePoints

      public static final int[][] facePoints

    • unitCubePoints

      public static final P3[] unitCubePoints

  • Constructor Details

    • BoxInfo

      public BoxInfo()

  • Method Details

    • reset

      public void reset()

    • scaleBox

      public static void scaleBox(P3[] pts, float scale)

    • getVerticesFromOABC

      public static final P3[] getVerticesFromOABC(T3[] oabc)
      Parameters:
      oabc - [center a b c]
      Returns:
      all eight vertices

    • getCanonicalCopy

      public static final P3[] getCanonicalCopy(P3[] boxPoints, float scale)
      Change points references to canonical form used in Triangulator, while also scaling. Box Pt to canonical: 
          0 to 0 
    1 to 3
    2 to 4
    3 to 7
    4 to 1
    5 to 2
    6 to 5
    7 to 6
      Parameters:
      boxPoints -
      scale -
      Returns:
      canonical P3 array

    • toOABC

      public static final P3[] toOABC(P3[] bbVertices, T3 offset)
      Delivers [center a b c] for generation of unit cells from a boundbox
      Parameters:
      bbVertices -
      offset -
      Returns:
      [center a b c]

    • getBoundBoxCenter

      public P3 getBoundBoxCenter()

    • getBoundBoxCornerVector

      public V3 getBoundBoxCornerVector()

    • getBoundBoxPoints

      public P3[] getBoundBoxPoints(boolean isAll)
      Return basic info on boundbox in the form of an array.
      Parameters:
      isAll - to include center and diagonal
      Returns:
      isAll: [(0.5 0.5 0.5), diagonal, (0 0 0), (1 1 1)], otherwise just [(0 0 0), (1 1 1)]

    • getBoundBoxVertices

      public Point3fi[] getBoundBoxVertices()

    • setBoundBoxFromOABC

      public void setBoundBoxFromOABC(T3[] points)

    • setBoundBox

      public void setBoundBox(T3 pt1, T3 pt2, boolean byCorner, float scale)

    • setMargin

      public void setMargin(float m)

    • addBoundBoxPoint

      public void addBoundBoxPoint(T3 pt)

    • addPoint

      public static void addPoint(T3 pt, T3 xyzMin, T3 xyzMax, float margin)

    • addPointXYZ

      public static void addPointXYZ(float x, float y, float z, P3 xyzMin, P3 xyzMax, float margin)

    • setBbcage

      public void setBbcage(float scale)

    • isWithin

      public boolean isWithin(P3 pt)

    • getMaxDim

      public float getMaxDim()

    • getInfo

      public Object getInfo(String what)
      for {*}.boundbox("info"|"volume"|"center"|null)
      Parameters:
      what -
      Returns:
      Double or Map or null

    • toString

      public String toString()
      Overrides:
      toString in class Object

    • getBoxFacesFromOABC

      public static P4[] getBoxFacesFromOABC(P3[] oabc)