OEGetCenterAndExtents

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.