Class UnitCellBoundingBox


  • public class UnitCellBoundingBox
    extends Object
    A class to contain the BoundingBoxes of all polymeric molecules in a full unit cell.
    Author:
    Jose Duarte
    • Constructor Detail

      • UnitCellBoundingBox

        public UnitCellBoundingBox​(int numOperatorsSg,
                                   int numPolyChainsAu)
    • Method Detail

      • 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: