use symmetry-aware Miller brackets in Result.add_pole

python/damask/_result.py

@@ -1025,17 +1025,21 @@ class Result:
     @staticmethod
     def _add_pole(q,uvw,hkl,with_symmetry):
         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)
 
         return {
                 'data': pole,
-                'label': 'p^[{} {} {}]'.format(*uvw) if uvw else 'p^({} {} {})'.format(*hkl),
+                'label': label,
                 'meta' : {
-                           'unit':        '1',
-                           'description': 'lab frame vector along lattice ' \
-                                          + ('direction' if uvw else 'plane') \
-                                          + ('s' if with_symmetry else ''),
-                           'creator':     'add_pole'
+                          'unit':        '1',
+                          'description': 'lab frame vector along lattice ' \
+                                         + ('direction' if uvw else 'plane') \
+                                         + ('s' if with_symmetry else ''),
+                          'creator':     'add_pole'
                           }
                 }
     def add_pole(self,q='O',*,uvw=None,hkl=None,with_symmetry=False):
@@ -1047,7 +1051,7 @@ class Result:
         q : str
             Name of the dataset containing the crystallographic orientation as quaternions.
             Defaults to 'O'.
-        uvw|hkl : numpy.ndarray of shape (...,3)
+        uvw|hkl : numpy.ndarray of shape (3)
             Miller indices of crystallographic direction or plane normal.
         with_symmetry : bool, optional
             Calculate all N symmetrically equivalent vectors.

python/tests/test_Result.py

@@ -24,8 +24,7 @@ def default(tmp_path,ref_path):
     """Small Result file in temp location for modification."""
     fname = '12grains6x7x8_tensionY.hdf5'
     shutil.copy(ref_path/fname,tmp_path)
-    f = Result(tmp_path/fname)
-    return f.view(times=20.0)
+    return Result(tmp_path/fname).view(times=20.0)
 
 @pytest.fixture
 def single_phase(tmp_path,ref_path):
@@ -226,15 +225,19 @@ class TestResult:
         assert np.allclose(in_memory,in_file)
 
     @pytest.mark.parametrize('options',[{'uvw':[1,0,0],'with_symmetry':False},
-                                        {'hkl':[0,1,1],'with_symmetry':True}])
+                                        {'uvw':[1,1,0],'with_symmetry':True},
+                                        {'hkl':[0,1,1],'with_symmetry':True},
+                                        {'hkl':[1,1,1],'with_symmetry':False},
+                                        ])
     def test_add_pole(self,default,options):
         default.add_pole(**options)
         rot = default.place('O')
         in_memory = Orientation(rot,lattice=rot.dtype.metadata['lattice']).to_pole(**options)
-        brackets = ['[[]','[]]'] if 'uvw' in options.keys() else ['(',')']                          # escape fnmatch
-        label = '{}{} {} {}{}'.format(brackets[0],*(list(options.values())[0]),brackets[1])
-        in_file = default.place(f'p^{label}')
-        print(in_file - in_memory)
+        brackets = [['[[]','[]]'],'()','〈〉','{}'][('hkl' in options)*1+(options['with_symmetry'])*2]   # escape fnmatch
+        label = 'p^{}{} {} {}{}'.format(brackets[0],
+                                        *(list(options.values())[0]),
+                                        brackets[-1])
+        in_file = default.place(label)
         assert np.allclose(in_memory,in_file)
 
     def test_add_rotation(self,default):