!= and == work componentwise

python/damask/_orientation.py

@@ -225,10 +225,21 @@ class Orientation(Rotation):
             Orientation to check for equality.
 
         """
-        return  super().__eq__(other) \
+        matching_type = all([hasattr(other,attr) and getattr(self,attr) == getattr(other,attr)
-            and self.family     == other.family \
+                             for attr in ['family','lattice','parameters']])
-            and self.lattice    == other.lattice \
+        return np.logical_and(super().__eq__(other),matching_type)
-            and self.parameters == other.parameters
+
+    def __ne__(self,other):
+        """
+        Not equal to other.
+
+        Parameters
+        ----------
+        other : Orientation
+            Orientation to check for equality.
+
+        """
+        return np.logical_not(self==other)
 
 
     def __matmul__(self,other):

python/damask/_rotation.py

@@ -66,7 +66,7 @@ class Rotation:
 
     def __repr__(self):
         """Represent rotation as unit quaternion, rotation matrix, and Bunge-Euler angles."""
-        if self == Rotation():
+        if self.shape == () and self == Rotation():
            return 'Rotation()'
         else:
             return f'Quaternions {self.shape}:\n'+str(self.quaternion) \
@@ -105,10 +105,27 @@ class Rotation:
             Rotation to check for equality.
 
         """
-        ambiguous = np.isclose(self.quaternion[...,0],0)
+        s = self.quaternion
-        return      np.prod(self.shape,dtype=int) == np.prod(other.shape,dtype=int) \
+        o = other.quaternion
-                and (   np.allclose(self.quaternion,other.quaternion) \
+        if self.shape == () == other.shape:
-                     or np.allclose(self.quaternion[ambiguous],-1*other.quaternion[ambiguous]))
+            return np.allclose(s,o) or (np.isclose(s[0],0.0) and np.allclose(s,-1.0*o))
+        else:
+            return np.all(np.isclose(s,o),-1) + np.all(np.isclose(s,-1.0*o),-1) * np.isclose(s[...,0],0.0)
+
+    def __ne__(self,other):
+        """
+        Not equal to other.
+
+        Equality is determined taking limited floating point precision into
+        account. See numpy.allclose for details.
+
+        Parameters
+        ----------
+        other : Rotation
+            Rotation to check for equality.
+
+        """
+        return np.logical_not(self==other)
 
 
     @property

python/tests/test_Orientation.py

@@ -25,13 +25,16 @@ class TestOrientation:
     @pytest.mark.parametrize('shape',[None,5,(4,6)])
     def test_equal(self,lattice,shape):
         R = Rotation.from_random(shape)
-        assert Orientation(R,lattice) == Orientation(R,lattice)
+        assert Orientation(R,lattice) == Orientation(R,lattice) if shape is None else \
+              (Orientation(R,lattice) == Orientation(R,lattice)).all()
+
 
     @pytest.mark.parametrize('lattice',Orientation.crystal_families)
     @pytest.mark.parametrize('shape',[None,5,(4,6)])
     def test_unequal(self,lattice,shape):
         R = Rotation.from_random(shape)
-        assert not(Orientation(R,lattice) != Orientation(R,lattice))
+        assert not ( Orientation(R,lattice) != Orientation(R,lattice) if shape is None else \
+                    (Orientation(R,lattice) != Orientation(R,lattice)).any())
 
     @pytest.mark.parametrize('a,b',[
                                     (dict(rotation=[1,0,0,0]),
@@ -403,7 +406,7 @@ class TestOrientation:
     def test_relationship_vectorize(self,set_of_quaternions,lattice,model):
         r = Orientation(rotation=set_of_quaternions[:200].reshape((50,4,4)),lattice=lattice).related(model)
         for i in range(200):
-            assert r.reshape((-1,200))[:,i] == Orientation(set_of_quaternions[i],lattice).related(model)
+            assert (r.reshape((-1,200))[:,i] == Orientation(set_of_quaternions[i],lattice).related(model)).all()
 
     @pytest.mark.parametrize('model',['Bain','KS','GT','GT_prime','NW','Pitsch'])
     @pytest.mark.parametrize('lattice',['cF','cI'])

python/tests/test_Rotation.py

@@ -783,14 +783,22 @@ class TestRotation:
         else:
             assert r.shape == shape
 
-    def test_equal(self):
+    @pytest.mark.parametrize('shape',[None,5,(4,6)])
-        assert Rotation.from_random(rng_seed=1) == Rotation.from_random(rng_seed=1)
+    def test_equal(self,shape):
+        R = Rotation.from_random(shape,rng_seed=1)
+        assert R == R if shape is None else (R == R).all()
+
+    @pytest.mark.parametrize('shape',[None,5,(4,6)])
+    def test_unequal(self,shape):
+        R = Rotation.from_random(shape,rng_seed=1)
+        assert not (R != R if shape is None else (R != R).any())
+
 
     def test_equal_ambiguous(self):
         qu = np.random.rand(10,4)
         qu[:,0] = 0.
         qu/=np.linalg.norm(qu,axis=1,keepdims=True)
-        assert Rotation(qu) == Rotation(-qu)
+        assert (Rotation(qu) == Rotation(-qu)).all()
 
     def test_inversion(self):
         r = Rotation.from_random()
@@ -807,7 +815,7 @@ class TestRotation:
         p = Rotation.from_random(shape=shape)
         s = r.append(p)
         print(f'append 2x {shape} --> {s.shape}')
-        assert s[0,...] == r[0,...] and s[-1,...] == p[-1,...]
+        assert np.logical_and(s[0,...] == r[0,...], s[-1,...] == p[-1,...]).all()
 
     @pytest.mark.parametrize('quat,standardized',[
                                                   ([-1,0,0,0],[1,0,0,0]),
@@ -829,7 +837,7 @@ class TestRotation:
     @pytest.mark.parametrize('order',['C','F'])
     def test_flatten_reshape(self,shape,order):
         r = Rotation.from_random(shape=shape)
-        assert r == r.flatten(order).reshape(shape,order)
+        assert (r == r.flatten(order).reshape(shape,order)).all()
 
     @pytest.mark.parametrize('function',[Rotation.from_quaternion,
                                          Rotation.from_Euler_angles,