Package org.biojava.nbio.structure.xtal
Class UnitCellBoundingBox
- java.lang.Object
-
- org.biojava.nbio.structure.xtal.UnitCellBoundingBox
-
public class UnitCellBoundingBox extends java.lang.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
All Methods Instance Methods Concrete Methods 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 AUBoundingBox
getChainBoundingBox(int cellIdx, int chainIdx)
Get the chain BoundingBox for the given cell index (cellIdx=0 would be original AU) and chain indexUnitCellBoundingBox
getTranslatedBbs(javax.vecmath.Vector3d translation)
Returns a new BoundingBoxes object containing the same bounds as this BoundingBoxes object translated by the given translationvoid
setBbs(Structure structure, javax.vecmath.Matrix4d[] ops, boolean includeHetAtoms)
-
-
-
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:
-
-