Package org.biojava.nbio.structure.xtal

Class UnitCellBoundingBox

java.lang.Object
org.biojava.nbio.structure.xtal.UnitCellBoundingBox
public class UnitCellBoundingBox extends Object
A class to contain the BoundingBoxes of all molecules in a full unit cell
Author:
duarte_j

  • Constructor Summary

    Constructors
    Constructor
    Description
    UnitCellBoundingBox(int numOperatorsSg, int numChainsAu)
     

  • Method Summary

    Modifier and Type
    Method
    Description
    BoundingBox
    getAuBoundingBox(int cellIdx)
    Get the AU BoundingBox for the given cell index (cellIdx=0 would be original AU) The AU BoundingBox is the BoundingBox that bounds all chains belonging to the AU
    BoundingBox
    getChainBoundingBox(int cellIdx, int chainIdx)
    Get the chain BoundingBox for the given cell index (cellIdx=0 would be original AU) and chain index
    UnitCellBoundingBox
    getTranslatedBbs(javax.vecmath.Vector3d translation)
    Returns a new BoundingBoxes object containing the same bounds as this BoundingBoxes object translated by the given translation
    void
    setBbs(Structure structure, javax.vecmath.Matrix4d[] ops, boolean includeHetAtoms)
     

    Methods inherited from class java.lang.Object

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

  • Constructor Details

    • UnitCellBoundingBox

      public UnitCellBoundingBox(int numOperatorsSg, int numChainsAu)

  • Method Details

    • setBbs

      public void setBbs(Structure structure, javax.vecmath.Matrix4d[] ops, boolean includeHetAtoms)

    • getChainBoundingBox

      public BoundingBox getChainBoundingBox(int cellIdx, int chainIdx)
      Get the chain BoundingBox for the given cell index (cellIdx=0 would be original AU) and chain index
      Parameters:
      cellIdx -
      chainIdx -
      Returns:

    • getAuBoundingBox

      public BoundingBox getAuBoundingBox(int cellIdx)
      Get the AU BoundingBox for the given cell index (cellIdx=0 would be original AU) The AU BoundingBox is the BoundingBox that bounds all chains belonging to the AU
      Parameters:
      cellIdx -
      Returns:

    • getTranslatedBbs

      public UnitCellBoundingBox getTranslatedBbs(javax.vecmath.Vector3d translation)
      Returns a new BoundingBoxes object containing the same bounds as this BoundingBoxes object translated by the given translation
      Parameters:
      translation -
      Returns: