polishing

Author: MarDiehl

python/damask/_rotation.py

@@ -1190,9 +1190,11 @@ def from_ODF(weights: np.ndarray,
 
         Notes
         -----
-        Due to the distortion of Euler space in the vicinity of ϕ = 0, probability densities, p, defined on
-        grid points with ϕ = 0 will never result in reconstructed orientations as their dV/V = p dγ = p × 0.
-        Hence, it is recommended to transform any such dataset to a cell-centered version, which avoids grid points at ϕ = 0.
+        Due to the distortion of Euler space in the vicinity of ϕ = 0,
+        probability densities, p, defined on grid points with ϕ = 0 will never
+        result in reconstructed orientations as their dV/V = p dγ = p × 0.
+        Hence, it is recommended to transform any such dataset to a
+        cell-centered version, which avoids grid points at ϕ = 0.
 
         References
         ----------
@@ -1422,9 +1424,9 @@ def _qu2eu(qu: np.ndarray) -> np.ndarray:
         eu_sum  = eu[...,0] + eu[...,2]
         eu_diff = eu[...,0] - eu[...,2]
 
-        is_zero  = np.isclose(eu[...,1],0.0)
-        is_pi    = np.isclose(eu[...,1],np.pi)
-        is_ok    = ~np.logical_or(is_zero,is_pi)
+        is_zero = np.isclose(eu[...,1],0.0)
+        is_pi   = np.isclose(eu[...,1],np.pi)
+        is_ok   = ~np.logical_or(is_zero,is_pi)
 
         eu[...,0][is_zero] =  2*eu[...,0][is_zero]
         eu[...,0][is_pi]   = -2*eu[...,2][is_pi]

python/damask/mechanics.py

@@ -345,8 +345,8 @@ def _polar_decomposition(T: _np.ndarray,
     if 'U' in requested:
         output+=[_np.einsum('...ji,...jk',R,T)]
 
-    if len(output) == 0:
-        raise ValueError('output not in {V, R, U}')
+    if len(output) == 0 or len(set(['V','R','U']).union(requested))> 3:
+        raise ValueError(f'requested invalid dataset {requested}')
 
     return tuple(output)
 

python/tests/test_mechanics.py

@@ -225,9 +225,10 @@ def test_spherical_no_shear(self):
         A = tensor.spherical(tensor.symmetric(np.random.rand(self.n,3,3)),True)
         assert np.allclose(mechanics.maximum_shear(A),0.0)
 
-    def test_invalid_decomposition(self):
+    @pytest.mark.parametrize('invalid',['A',['R','x']])
+    def test_invalid_decomposition(self,invalid):
         with pytest.raises(ValueError):
-            mechanics._polar_decomposition(np.random.rand(10,3,3),'A')
+            mechanics._polar_decomposition(np.random.rand(10,3,3),invalid)
 
     def test_invalid_strain(self):
         with pytest.raises(ValueError):