similar style as for other conversions

python/damask/_Lambert.py

@@ -52,8 +52,6 @@ def cube_to_ball(cube):
 
     """
     cube_ = np.clip(cube,None,np.pi**(2./3.) * 0.5) if np.isclose(np.abs(np.max(cube)),np.pi**(2./3.) * 0.5,atol=1e-6) else cube
-    if np.abs(np.max(cube_))>np.pi**(2./3.) * 0.5:
-        raise ValueError('Coordinate outside of the cube: {} {} {}.'.format(*cube))
 
     # transform to the sphere grid via the curved square, and intercept the zero point
     if np.allclose(cube_,0.0,rtol=0.0,atol=1.0e-16):
@@ -105,8 +103,6 @@ def ball_to_cube(ball):
     """
     ball_ = ball/np.linalg.norm(ball)*R1 if np.isclose(np.linalg.norm(ball),R1,atol=1e-6) else ball
     rs = np.linalg.norm(ball_)
-    if rs > R1+1.e-9:
-        raise ValueError('Coordinate outside of the sphere: {} {} {}.'.format(*ball))
 
     if np.allclose(ball_,0.0,rtol=0.0,atol=1.0e-16):
         cube = np.zeros(3)

python/damask/_rotation.py

@@ -350,6 +350,9 @@ class Rotation:
                         else np.array(homochoric,dtype=float)
         if P > 0: ho *= -1                                                                          # convert from P=1 to P=-1
 
+        if np.linalg.norm(ho) > (3.*np.pi/4.)**(1./3.)+1e-9:
+            raise ValueError('Coordinate outside of the sphere: {} {} {}.'.format(ho))
+
         return Rotation(Rotation.ho2qu(ho))
 
     @staticmethod
@@ -358,6 +361,10 @@ class Rotation:
 
         cu = cubochoric if isinstance(cubochoric, np.ndarray) and cubochoric.dtype == np.dtype(float) \
                         else np.array(cubochoric,dtype=float)
+
+        if np.abs(np.max(cu))>np.pi**(2./3.) * 0.5+1e-9:
+            raise ValueError('Coordinate outside of the cube: {} {} {}.'.format(*cu))
+
         ho = Rotation.cu2ho(cu)
         if P > 0: ho *= -1                                                                          # convert from P=1 to P=-1