OEGetCenterAndExtentsΒΆ

  void OEGetCenterAndExtents(const OEMolBase &mol, float *ctr, float *ext)


Determines the bounding box that can encompass the molecule. The length of
each side of the box is output in the 3-element array extents. The geometric
center of the box is output to the center parameter.

*mol*
   The molecule to calculate center and extents.

*ctr*
   The output box center vector.  The vector must have a defined size of at least three.

*ext*
   The output box lengths vector.  The vector must have a defined size of at least three.


.. note::

  The center of the box is different from the center-of-mass of the molecule.