OEGeom3DTetraCoordΒΆ

template<class T>
void OEGeom3DTetraCoord(T *dst, const T *center, const T *r1, const T *r2, T len)
template<class T>
void OEGeom3DTetraCoord(T *dst, const T *center, const T *r1, const T *r2,
                        const T *r3, T len)

Calculates cartesian coordinate point dst that has a distance of len from the point center, and corresponds to a tetrahedral atom location with respoect to the given coordinates. The first form places the new coordinates at the known tetrahedral angle based on the bisecting vector between \((r1-center)\) and \((r2-center)\). The second form places it on the direction perpendicular to the plane of the thre given coordinates r1, r2, and r3.