OEGeom3DReflectCoord¶
template<class T>
void OEGeom3DReflectCoord(T *dst, const T *center,
const T *r1, const T *r2,
const T *rHyd);
This is a template function that takes T* coordinates of a
central atom (center
) and two r-group atoms (r1
and
r2
), and performs a reflection around the center-r1-r2 plane
for the hydrogen atom (rHyd
). The output coordinates are
returned within the dst
variable.