more test coverage

python/damask/_orientation.py

@@ -61,7 +61,7 @@ class Orientation: # ToDo: make subclass of lattice and Rotation?
         if self.lattice.symmetry != other.lattice.symmetry:
             raise NotImplementedError('disorientation between different symmetry classes not supported yet.')
 
-        mySymEqs    =  self.equivalent if SST else self.equivalent[0] #ToDo: This is just me!                              # take all or only first sym operation
+        mySymEqs    =  self.equivalent if SST else self.equivalent[0] #ToDo: This is just me!       # take all or only first sym operation
         otherSymEqs = other.equivalent
 
         for i,sA in enumerate(mySymEqs):
@@ -177,7 +177,7 @@ class Orientation: # ToDo: make subclass of lattice and Rotation?
 
     # ToDo: Discuss vectorization/calling signature
     @staticmethod
-    def fromAverage(orientations,
+    def from_average(orientations,
                     weights = []):
         """Create orientation from average of list of orientations."""
         # further read: Orientation distribution analysis in deformed grains
@@ -193,10 +193,10 @@ class Orientation: # ToDo: make subclass of lattice and Rotation?
                                               SST = False,                                          # select (o[ther]'s) sym orientation
                                               symmetries = True)[2]].rotation)                      # with lowest misorientation
 
-        return Orientation(Rotation.fromAverage(closest,weights),ref.lattice)
+        return Orientation(Rotation.from_average(closest,weights),ref.lattice)
 
 
     # ToDo: Discuss vectorization/calling signature
     def average(self,other):
         """Calculate the average rotation."""
-        return Orientation.fromAverage([self,other])
+        return Orientation.from_average([self,other])

python/damask/_rotation.py

@@ -199,7 +199,7 @@ class Rotation:
         """
         if self.quaternion.shape != (4,) or other.quaternion.shape != (4,):
             raise NotImplementedError('Support for multiple rotations missing')
-        return Rotation.fromAverage([self,other])
+        return Rotation.from_average([self,other])
 
 
     ################################################################################################
@@ -294,7 +294,11 @@ class Rotation:
 
         """
         ro = Rotation._qu2ro(self.quaternion)
-        return ro[...,:3]*ro[...,3:4] if vector else ro
+        if vector:
+            with np.errstate(invalid='ignore'):
+                return ro[...,:3]*ro[...,3:4]
+        else:
+            return ro
 
     def as_homochoric(self):
         """
@@ -577,7 +581,7 @@ class Rotation:
 
 
     @staticmethod
-    def fromAverage(rotations,weights = None):
+    def from_average(rotations,weights = None):
         """
         Average rotation.
 

python/tests/test_Orientation.py

@@ -20,6 +20,16 @@ def IPF_color(orientation,direction):
 
     return color
 
+def inverse_pole(orientation,axis,proper=False,SST=True):
+    if SST:
+        for eq in orientation.equivalent:
+            pole = eq.rotation @ axis/np.linalg.norm(axis)
+            if orientation.lattice.in_SST(pole,proper=proper):
+                return pole
+    else:
+        return orientation.rotation @ axis/np.linalg.norm(axis)
+
+
 @pytest.fixture
 def reference_dir(reference_dir_base):
     """Directory containing reference results."""
@@ -44,6 +54,15 @@ class TestOrientation:
         for i,color in enumerate(oris.IPF_color(direction)):
             assert np.allclose(color,IPF_color(oris[i],direction))
 
+    @pytest.mark.parametrize('SST',[False,True])
+    @pytest.mark.parametrize('proper',[True,False])
+    @pytest.mark.parametrize('lattice',Lattice.lattices)
+    def test_inverse_pole_vectorize(self,set_of_quaternions,lattice,SST,proper):
+        axis = np.random.random(3)*2.0-1
+        oris = Orientation(Rotation(set_of_quaternions),lattice)[:200]
+        for i,pole in enumerate(oris.inverse_pole(axis,SST=SST)):
+            assert np.allclose(pole,inverse_pole(oris[i],axis,SST=SST))
+
     @pytest.mark.parametrize('color',[{'label':'red',  'RGB':[1,0,0],'direction':[0,0,1]},
                                       {'label':'green','RGB':[0,1,0],'direction':[0,1,1]},
                                       {'label':'blue', 'RGB':[0,0,1],'direction':[1,1,1]}])
@@ -95,3 +114,19 @@ class TestOrientation:
         R_1 = Orientation(Rotation(),lattice)
         R_2 = Orientation(damask.Rotation.from_Eulers([360,0,0],degrees=True),lattice)
         assert np.allclose(R_1.disorientation(R_2).as_matrix(),np.eye(3))
+
+    @pytest.mark.parametrize('lattice',Lattice.lattices)
+    @pytest.mark.parametrize('angle',[10,20,30,40])
+    def test_average(self,angle,lattice):
+        R_1 = Orientation(Rotation.from_axis_angle([0,0,1,10],degrees=True),lattice)
+        R_2 = Orientation(Rotation.from_axis_angle([0,0,1,angle],degrees=True),lattice)
+        avg_angle = R_1.average(R_2).rotation.as_axis_angle(degrees=True,pair=True)[1]
+        assert np.isclose(avg_angle,10+(angle-10)/2.)
+
+    @pytest.mark.parametrize('lattice',Lattice.lattices)
+    def test_from_average(self,lattice):
+        R_1 = Orientation(Rotation.from_random(),lattice)
+        eqs = [r for r in R_1.equivalent]
+        R_2 = damask.Orientation.from_average(eqs)
+        assert np.allclose(R_1.rotation.quaternion,R_2.rotation.quaternion)
+