Merge branch 'normalize-to_pole' into 'development'

normalize to_pole output by default

See merge request damask/DAMASK!578

python/damask/_orientation.py

@@ -786,7 +786,8 @@ class Orientation(Rotation,Crystal):
     def to_pole(self, *,
                 uvw: FloatSequence = None,
                 hkl: FloatSequence = None,
-                with_symmetry: bool = False) -> np.ndarray:
+                with_symmetry: bool = False,
+                normalize: bool = True) -> np.ndarray:
         """
         Calculate lab frame vector along lattice direction [uvw] or plane normal (hkl).
 
@@ -795,18 +796,26 @@ class Orientation(Rotation,Crystal):
         uvw|hkl : numpy.ndarray, shape (...,3)
             Miller indices of crystallographic direction or plane normal.
             Shape of vector blends with shape of own rotation array.
-            For example, a rotation array, shape (3,2) and a vector array of shape (2,4) result in (3,2,4) outputs.
+            For example, a rotation array of shape (3,2) and a vector
+            array of shape (2,4) result in (3,2,4) outputs.
         with_symmetry : bool, optional
             Calculate all N symmetrically equivalent vectors.
+            Defaults to False.
+        normalize : bool, optional
+            Normalize output vector.
+            Defaults to True.
 
         Returns
         -------
         vector : numpy.ndarray, shape (...,3) or (...,N,3)
-            Lab frame vector (or vectors if with_symmetry) along [uvw] direction or (hkl) plane normal.
+            Lab frame vector (or vectors if with_symmetry) along
+            [uvw] direction or (hkl) plane normal.
 
         """
         v = self.to_frame(uvw=uvw,hkl=hkl)
         blend = util.shapeblender(self.shape,v.shape[:-1])
+        if normalize:
+            v /= np.linalg.norm(v,axis=-1,keepdims=len(v.shape)>1)
         if with_symmetry:
             sym_ops = self.symmetry_operations
             shape = v.shape[:-1]+sym_ops.shape

python/damask/_result.py

@@ -1023,26 +1023,26 @@ class Result:
 
 
     @staticmethod
-    def _add_pole(q,uvw,hkl,with_symmetry):
+    def _add_pole(q,uvw,hkl,with_symmetry,normalize):
         c = q['meta']['c/a'] if 'c/a' in q['meta'] else 1
         brackets = ['[]','()','⟨⟩','{}'][(uvw is None)*1+with_symmetry*2]
         label = 'p^' + '{}{} {} {}{}'.format(brackets[0],
                                               *(uvw if uvw else hkl),
                                               brackets[-1],)
-        pole = Orientation(q['data'],lattice=q['meta']['lattice'],a=1,c=c).to_pole(uvw=uvw,hkl=hkl,with_symmetry=with_symmetry)
+        ori = Orientation(q['data'],lattice=q['meta']['lattice'],a=1,c=c)
 
         return {
-                'data': pole,
+                'data': ori.to_pole(uvw=uvw,hkl=hkl,with_symmetry=with_symmetry,normalize=normalize),
                 'label': label,
                 'meta' : {
                           'unit':        '1',
-                          'description': 'lab frame vector along lattice ' \
+                          'description': f'{"normalized " if normalize else ""}lab frame vector along lattice ' \
-                                         + ('direction' if uvw else 'plane') \
+                                         + ('direction' if uvw is not None else 'plane') \
                                          + ('s' if with_symmetry else ''),
                           'creator':     'add_pole'
                           }
                 }
-    def add_pole(self,q='O',*,uvw=None,hkl=None,with_symmetry=False):
+    def add_pole(self,q='O',*,uvw=None,hkl=None,with_symmetry=False,normalize=True):
         """
         Add lab frame vector along lattice direction [uvw] or plane normal (hkl).
 
@@ -1055,9 +1055,15 @@ class Result:
             Miller indices of crystallographic direction or plane normal.
         with_symmetry : bool, optional
             Calculate all N symmetrically equivalent vectors.
+            Defaults to True.
+        normalize : bool, optional
+            Normalize output vector.
+            Defaults to True.
 
         """
-        self._add_generic_pointwise(self._add_pole,{'q':q},{'uvw':uvw,'hkl':hkl,'with_symmetry':with_symmetry})
+        self._add_generic_pointwise(self._add_pole,
+                                    {'q':q},
+                                    {'uvw':uvw,'hkl':hkl,'with_symmetry':with_symmetry,'normalize':normalize})
 
 
     @staticmethod

python/tests/test_Orientation.py

@@ -180,8 +180,8 @@ class TestOrientation:
             o = Orientation.from_directions(uvw=a,hkl=c,**kwargs)
             x = o.to_pole(uvw=a)
             z = o.to_pole(hkl=c)
-            assert np.isclose(np.dot(x/np.linalg.norm(x),np.array([1,0,0])),1) \
+            assert np.isclose(np.dot(x,np.array([1,0,0])),1) \
-               and np.isclose(np.dot(z/np.linalg.norm(z),np.array([0,0,1])),1)
+               and np.isclose(np.dot(z,np.array([0,0,1])),1)
 
     @pytest.mark.parametrize('function',[Orientation.from_random,
                                          Orientation.from_quaternion,