4.131 OESet3DHydrogenGeom

bool OESet3DHydrogenGeom(OEMolBase &mol)
bool OESet3DHydrogenGeom(OEMolBase &mol, const OEAtomBase *hatom);

These functions assign approximate 3D co-ordinates to explicit hydrogen atoms. For the first form of this function, that operates on an entire molecule, only explicit hydrogen atoms with identical co-ordinates to their parent atoms are updated. The second form of this function only affects the specified hydrogen atom, which should initially have the same co-ordinates as its `parent'.