let the computer do the work

python/damask/_configmaterial.py

@@ -99,7 +99,7 @@ class ConfigMaterial(Config):
 
     @staticmethod
     def load_DREAM3D(fname,
-                     grain_data=None,cell_data='CellData',cell_ensemble_data='CellEnsembleData',
+                     grain_data=None,cell_data=None,cell_ensemble_data='CellEnsembleData',
                      phases='Phases',Euler_angles='EulerAngles',phase_names='PhaseName',
                      base_group=None):
         """
@@ -120,7 +120,8 @@ class ConfigMaterial(Config):
             Name of the group (folder) containing grain-wise data. Defaults
             to None, in which case cell-wise data is used.
         cell_data : str
-            Name of the group (folder) containing cell-wise data. Defaults to 'CellData'.
+            Name of the group (folder) containing cell-wise data. Defaults to
+            None in wich case it is automatically detected.
         cell_ensemble_data : str
             Name of the group (folder) containing data of cell ensembles. This
             group is used to inquire the name of the phases. Phases will get
@@ -141,11 +142,12 @@ class ConfigMaterial(Config):
 
         """
         b = util.DREAM3D_base_group(fname) if base_group is None else base_group
+        c = util.DREAM3D_cell_data_group(fname) if cell_data is None else cell_data
         f = h5py.File(fname,'r')
 
         if grain_data is None:
-            phase = f[os.path.join(b,cell_data,phases)][()].flatten()
+            phase = f[os.path.join(b,c,phases)][()].flatten()
-            O = Rotation.from_Euler_angles(f[os.path.join(b,cell_data,Euler_angles)]).as_quaternion().reshape(-1,4) # noqa
+            O = Rotation.from_Euler_angles(f[os.path.join(b,c,Euler_angles)]).as_quaternion().reshape(-1,4) # noqa
             _,idx = np.unique(np.hstack([O,phase.reshape(-1,1)]),return_index=True,axis=0)
             idx = np.sort(idx)
         else:

python/damask/_grid.py

@@ -257,7 +257,7 @@ class Grid:
 
     @staticmethod
     def load_DREAM3D(fname,
-                     feature_IDs=None,cell_data='CellData',
+                     feature_IDs=None,cell_data=None,
                      phases='Phases',Euler_angles='EulerAngles',
                      base_group=None):
         """
@@ -279,7 +279,8 @@ class Grid:
             grain-wise data. Defaults to 'None', in which case cell-wise
             data is used.
         cell_data : str
-            Name of the group (folder) containing cell-wise data. Defaults to 'CellData'.
+            Name of the group (folder) containing cell-wise data. Defaults to
+            None in wich case it is automatically detected.
         phases : str
             Name of the dataset containing the phase ID. It is not used for
             grain-wise data, i.e. when feature_IDs is not None.
@@ -296,19 +297,21 @@ class Grid:
 
         """
         b = util.DREAM3D_base_group(fname) if base_group is None else base_group
+        c = util.DREAM3D_cell_data_group(fname) if cell_data is None else cell_data
         f = h5py.File(fname, 'r')
+
         cells  = f[os.path.join(b,'_SIMPL_GEOMETRY','DIMENSIONS')][()]
         size   = f[os.path.join(b,'_SIMPL_GEOMETRY','SPACING')] * cells
         origin = f[os.path.join(b,'_SIMPL_GEOMETRY','ORIGIN')][()]
 
         if feature_IDs is None:
-            phase = f[os.path.join(b,cell_data,phases)][()].reshape(-1,1)
+            phase = f[os.path.join(b,c,phases)][()].reshape(-1,1)
-            O = Rotation.from_Euler_angles(f[os.path.join(b,cell_data,Euler_angles)]).as_quaternion().reshape(-1,4) # noqa
+            O = Rotation.from_Euler_angles(f[os.path.join(b,c,Euler_angles)]).as_quaternion().reshape(-1,4) # noqa
             unique,unique_inverse = np.unique(np.hstack([O,phase]),return_inverse=True,axis=0)
             ma = np.arange(cells.prod()) if len(unique) == cells.prod() else \
                  np.arange(unique.size)[np.argsort(pd.unique(unique_inverse))][unique_inverse]
         else:
-            ma = f[os.path.join(b,cell_data,feature_IDs)][()].flatten()
+            ma = f[os.path.join(b,c,feature_IDs)][()].flatten()
 
         return Grid(ma.reshape(cells,order='F'),size,origin,util.execution_stamp('Grid','load_DREAM3D'))
 

python/damask/util.py

@@ -29,7 +29,7 @@ __all__=[
          'execution_stamp',
          'shapeshifter', 'shapeblender',
          'extend_docstring', 'extended_docstring',
-         'DREAM3D_base_group'
+         'DREAM3D_base_group', 'DREAM3D_cell_data_group'
         ]
 
 ####################################################################################################
@@ -379,14 +379,52 @@ def extended_docstring(f,extra_docstring):
 
 
 def DREAM3D_base_group(fname):
+    """
+    Determine the base group of a DREAM.3D file.
+
+    The base group is defined as the group (folder) that contains
+    a 'SPACING' dataset in a '_SIMPL_GEOMETRY' group.
+
+    Parameters
+    ----------
+    fname : str
+        Filename of the DREAM.3D (HDF5) file.
+
+    """
     with h5py.File(fname,'r') as f:
         base_group = f.visit(lambda path: path.rsplit('/',2)[0] if '_SIMPL_GEOMETRY/SPACING' in path else None)
 
     if base_group is None:
-        raise ValueError
+        raise ValueError('Could not determine base group in file {fname}.')
 
     return base_group
 
+def DREAM3D_cell_data_group(fname):
+    """
+    Determine the cell data group of a DREAM.3D file.
+
+    The cell data group is defined as the group (folder) that contains
+    a dataset in the base group whose length matches the total number
+    of points as specified in '_SIMPL_GEOMETRY/DIMENSIONS'.
+
+    Parameters
+    ----------
+    fname : str
+        Filename of the DREAM.3D (HDF5) file.
+
+    """
+    base_group = DREAM3D_base_group(fname)
+    with h5py.File(fname,'r') as f:
+        N_points = np.prod(f[os.path.join(base_group,'_SIMPL_GEOMETRY','DIMENSIONS')])
+        cell_data_group = f[base_group].visititems(lambda path,obj: path.split('/')[0] \
+                                                   if isinstance(obj,h5py._hl.dataset.Dataset) and np.prod(np.shape(obj)) == N_points \
+                                                   else None)
+
+    if cell_data_group is None:
+        raise ValueError('Could not determine cell data group in file {fname}.')
+
+    return cell_data_group
+
 ####################################################################################################
 # Classes
 ####################################################################################################

python/tests/test_ConfigMaterial.py

@@ -133,7 +133,7 @@ class TestConfigMaterial:
 
 
     def test_load_DREAM3D_reference(self,tmp_path,ref_path,update):
-        config = ConfigMaterial.load_DREAM3D(ref_path/'measured.dream3d',cell_data='EBSD Scan Data')
+        config = ConfigMaterial.load_DREAM3D(ref_path/'measured.dream3d')
         config.save(tmp_path/'material.yaml')
         if update:
             config.save(ref_path/'measured.material_yaml')

python/tests/test_Grid.py

@@ -442,7 +442,7 @@ class TestGrid:
 
 
     def test_load_DREAM3D_reference(self,ref_path,update):
-        current   = Grid.load_DREAM3D(ref_path/'measured.dream3d',cell_data='EBSD Scan Data')
+        current   = Grid.load_DREAM3D(ref_path/'measured.dream3d')
         reference = Grid.load(ref_path/'measured')
         if update:
             current.save(ref_path/'measured.vtr')