fixed typos and other python warnings

python/damask/_result.py

@@ -1960,13 +1960,12 @@ class Result:
         ----------
         target_dir : str or pathlib.Path, optional
             Directory to save DREAM3D files. Will be created if non-existent.
+
         """
-        Crystal_structures = {'fcc': 1,
+        Phase_types = {'Primary': 0}
-                              'bcc': 1,
+        #further additions to these can be done by looking at 'Create Ensemble Info' filter
-                              'hcp': 0,
+        # other options could be 'Precipitate' and so on.
-                              'bct': 7,
+        # also crystal structures be added in a similar way
-                              'ort': 6} #TODO: is bct Tetragonal low/Tetragonal high?
-        Phase_types = {'Primary': 0} #further additions to these can be done by looking at 'Create Ensemble Info' filter, other options could be 'Precipitate' and so on. 
 
         dx = self.size/self.cells
 
@@ -1986,7 +1985,7 @@ class Result:
                             cell_orientation_array[at_cell_ph[c][label],:] = \
                                 Rotation(data[in_data_ph[c][label],:]).as_Euler_angles()
                             # Dream3D handles euler angles better
-                        except ValueError: #check if the exception is correct
+                        except ValueError:
                             print("Orientation data is not present")
                             exit()  # need to check if such a statement would really work.
 
@@ -2036,8 +2035,10 @@ class Result:
                 # Data CrystalStructures
                 o[ensemble_label + '/CrystalStructures'] = np.uint32(np.array([999] + [1]*len(self.phases)))
                 # assuming only cubic crystal structures
-                # Damask can give the crystal structure info but need to look into dream3d which crystal structure corresponds to which number
+                # Damask can give the crystal structure info
-                o[ensemble_label + '/PhaseTypes']        = np.uint32(np.array([999] + [Phase_types['Primary']]*len(self.phases))).reshape((len(self.phases)+1,1))
+                # but need to look into dream3d which crystal structure corresponds to which number
+                o[ensemble_label + '/PhaseTypes']        = np.uint32(np.array([999] + [Phase_types['Primary']]*len(self.phases)))\
+                                                                                        .reshape((len(self.phases)+1,1))
                 # also assuming Primary phases
                 # there can be precipitates etc as well
                 # Attributes Ensemble Matrix
@@ -2065,13 +2066,6 @@ class Result:
                 o[geom_label].attrs['SpatialDimensionality'] = np.array([3],np.uint32)
                 o[geom_label].attrs['UnitDimensionality']    = np.array([3],np.uint32)
 
-
-
-
-
-
-
-
     def export_DADF5(self,
                      fname,
                      output: Union[str, List[str]] = '*'):

python/tests/test_Result.py

@@ -499,13 +499,13 @@ class TestResult:
         for dataset in ['DIMENSIONS','ORIGIN','SPACING']:
             results_val = np.array(results_file[geom_label + '/' + dataset]) 
             ref_val = np.array(ref_file[geom_label + '/' + dataset])
-            if not np.array_equal(ref_val,actual_val):
+            if not np.array_equal(ref_val,results_val):
                 error_messages.append(f'The {dataset} values are incorrect')
 
         for attrs in ['GeometryName','GeometryTypeName','GeometryType','SpatialDimensionality','UnitDimensionality']:
             ref_value = ref_file[geom_label].attrs[attrs]
             actual_val = results_file[geom_label].attrs[attrs]
-            if not np.array_equal(ref_val,actual_val):
+            if not np.array_equal(ref_value,actual_val):
                 error_messages.append("Geometry attributes do not match")
         
         assert not error_messages