void OEGetPackedCoords(const OEMolBase &mol, float *coords) void OEGetPackedCoords(const OEMolBase &mol, double *coords)
Fills an array with the coordinates of a molecule. The coordinates will be
packed into an array of size OEMolBase::NumAtoms()*3
which is passed
in as the coords array. The coordinates of the atoms will be in the array
in the same order as the atoms come out of the iterator generated by
OEMolBase::GetAtoms()
.