OEEulerRotate

void OEEulerRotate(OEMolBase &mol, const double *angles)
void OEEulerRotate(OEConfBase &conf, const double *angles)
void OEEulerRotate(OEMCMolBase &mcmol, const double *angles)

Rotates the molecules about the z, x’, and z’ axes in order. It is assumed that the angles array is at least of length 3. The angles array should contain the z rotation in radians in angles[0], the x’ rotation in radians in angles[1], and the z’ rotation in radians in angles[2]. The overloads for OEConfBase and OEMCMolBase are for efficiency.

mol

The molecule to rotate.

conf

The conformer to rotate.

mcmol

The multi-conformer molecule to rotate.

angle

The rotation angle.