OEEulerRotateΒΆ

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.