void testFromQuaternion() { double qt[4]; qt[0] = cos(M_PI / 6); qt[1] = -sin(M_PI / 6); qt[2] = 0.0; qt[3] = 0.0; Transform3D trans; trans.SetRotationFromQuaternion(qt); Transform3D ntrans; ntrans.SetRotation(M_PI / 3, Point3D(1.0, 0.0, 0.0)); unsigned int i, j; for (i = 0; i < 4; i++) { for (j = 0; j < 4; j++) { CHECK_INVARIANT(RDKit::feq(trans.getVal(i, j), ntrans.getVal(i, j)), ""); } } }