flipped VTK.add to use (label,data) to be consistent with other functionality

python/damask/_grid.py

@@ -662,9 +662,9 @@ class Grid:
 
         """
         v = VTK.from_image_data(self.cells,self.size,self.origin)\
-           .add(self.material.flatten(order='F'),'material')
+               .add('material',self.material.flatten(order='F'))
         for label,data in self.ic.items():
-            v = v.add(data.flatten(order='F'),label)
+            v = v.add(label,data.flatten(order='F'))
         v.comments = self.comments
 
         v.save(fname,parallel=False,compress=compress)
@@ -713,7 +713,7 @@ class Grid:
 
         """
         VTK.from_image_data(self.cells,self.size,self.origin) \
-           .add(self.material.flatten('F'),'material') \
+           .add('material',self.material.flatten('F'),) \
            .show('material',colormap)
 
 

python/damask/_result.py

@@ -1621,7 +1621,7 @@ class Result:
             for inc in util.show_progress(self.visible['increments']):
 
                 u = _read(f['/'.join([inc,'geometry','u_n' if mode.lower() == 'cell' else 'u_p'])])
-                v = v.add(u,'u')
+                v = v.add('u',u)
 
                 for ty in ['phase','homogenization']:
                     for field in self.visible['fields']:
@@ -1648,7 +1648,7 @@ class Result:
                                     outs[out][at_cell_ho[label]] = data[in_data_ho[label]]
 
                         for label,dataset in outs.items():
-                            v = v.add(dataset,' / '.join(['/'.join([ty,field,label]),dataset.dtype.metadata['unit']]))
+                            v = v.add(' / '.join(['/'.join([ty,field,label]),dataset.dtype.metadata['unit']]),dataset)
 
                 v.save(f'{self.fname.stem}_inc{inc[10:].zfill(N_digits)}',parallel=parallel)
 

python/damask/_vtk.py

@@ -402,24 +402,32 @@ class VTK:
 
     # Check https://blog.kitware.com/ghost-and-blanking-visibility-changes/ for missing data
     def add(self,
-            data: Union[np.ndarray, np.ma.MaskedArray, 'Table'],
+            label: str = None,
-            label: str = None):
+            data: Union[np.ndarray, np.ma.MaskedArray] = None,
+            *,
+            table: 'Table' = None):
         """
         Add data to either cells or points.
 
+        Data can either be a numpy.array, which requires a corresponding label,
+        or a damask.Table.
+
         Parameters
         ----------
-        data : numpy.ndarray, numpy.ma.MaskedArray, or damask.Table
+        label : str, optional
+            Label of data array.
+        data : numpy.ndarray or numpy.ma.MaskedArray, optional
             Data to add. First dimension needs to match either
             number of cells or number of points.
-        label : str, optional if data is damask.Table
+        table: damask.Table, optional
-            Data label.
+            Data to add. Number of rows needs to match either
+            number of cells or number of points.
 
         """
 
         def _add_array(vtk_data,
-                       data: np.ndarray,
+                       label: str,
-                       label: str):
+                       data: np.ndarray):
 
             N_data = data.shape[0]
             data_ = data.reshape(N_data,-1) \
@@ -441,17 +449,22 @@ class VTK:
             else:
                 raise ValueError(f'data count mismatch ({N_data} ≠ {self.N_points} & {self.N_cells})')
 
+        if data is None and table is None:
+            raise KeyError('no data given')
+        if data is not None and table is not None:
+            raise KeyError('cannot use both, data and table')
+
         dup = self.copy()
         if isinstance(data,np.ndarray):
             if label is not None:
                 _add_array(dup.vtk_data,
-                           np.where(data.mask,data.fill_value,data) if isinstance(data,np.ma.MaskedArray) else data,
+                           label,
-                           label)
+                           np.where(data.mask,data.fill_value,data) if isinstance(data,np.ma.MaskedArray) else data)
             else:
-                raise ValueError('no label defined for numpy.ndarray')
+                raise ValueError('no label defined for data')
-        elif isinstance(data,Table):
+        elif isinstance(table,Table):
-            for l in data.labels:
+            for l in table.labels:
-                _add_array(dup.vtk_data,data.get(l),l)
+                _add_array(dup.vtk_data,l,table.get(l))
         else:
             raise TypeError
 

python/tests/test_Grid.py

@@ -58,7 +58,7 @@ class TestGrid:
     def test_repr(self,default):
         print(default)
 
-    def test_read_write_vtr(self,default,tmp_path):
+    def test_read_write_vti(self,default,tmp_path):
         default.save(tmp_path/'default')
         new = Grid.load(tmp_path/'default.vti')
         assert new == default

python/tests/test_VTK.py

@@ -147,16 +147,22 @@ class TestVTK:
 
     def test_invalid_add_shape(self,default):
         with pytest.raises(ValueError):
-            default.add(np.ones(3),'valid')
+            default.add('valid',np.ones(3))
 
     def test_invalid_add_missing_label(self,default):
         data = np.random.randint(9,size=np.prod(np.array(default.vtk_data.GetDimensions())-1))
         with pytest.raises(ValueError):
-            default.add(data)
+            default.add(data=data)
 
     def test_invalid_add_type(self,default):
         with pytest.raises(TypeError):
-            default.add('invalid_type','valid')
+            default.add(label='valid',data='invalid_type')
+        with pytest.raises(TypeError):
+            default.add(label='valid',table='invalid_type')
+
+    def test_invalid_add_dual(self,default):
+        with pytest.raises(KeyError):
+            default.add(label='valid',data=0,table=0)
 
     @pytest.mark.parametrize('data_type,shape',[(float,(3,)),
                                                 (float,(3,3)),
@@ -166,7 +172,7 @@ class TestVTK:
     @pytest.mark.parametrize('N_values',[5*6*7,6*7*8])
     def test_add_get(self,default,data_type,shape,N_values):
         data = np.squeeze(np.random.randint(0,100,(N_values,)+shape)).astype(data_type)
-        new = default.add(data,'data')
+        new = default.add('data',data)
         assert (np.squeeze(data.reshape(N_values,-1)) == new.get('data')).all()
 
 
@@ -179,7 +185,7 @@ class TestVTK:
         for k,s in shapes.items():
             d[k] = dict(shape = s,
                         data = np.random.random(N*np.prod(s)).reshape((N,-1)))
-        new = default.add(Table(shapes,np.column_stack([d[k]['data'] for k in shapes.keys()])))
+        new = default.add(table=Table(shapes,np.column_stack([d[k]['data'] for k in shapes.keys()])))
         for k,s in shapes.items():
             assert np.allclose(np.squeeze(d[k]['data']),new.get(k),rtol=1e-7)
 
@@ -187,8 +193,8 @@ class TestVTK:
     def test_add_masked(self,default):
         data = np.random.rand(5*6*7,3)
         masked = ma.MaskedArray(data,mask=data<.4,fill_value=42.)
-        mask_auto = default.add(masked,'D')
+        mask_auto = default.add('D',masked)
-        mask_manual = default.add(np.where(masked.mask,masked.fill_value,masked),'D')
+        mask_manual = default.add('D',np.where(masked.mask,masked.fill_value,masked))
         assert mask_manual == mask_auto
 
 
@@ -202,7 +208,7 @@ class TestVTK:
         data = np.squeeze(np.random.randint(0,100,(N_values,)+shape)).astype(data_type)
         ALPHABET = np.array(list(string.ascii_lowercase + ' '))
         label = ''.join(np.random.choice(ALPHABET, size=10))
-        new = default.add(data,label)
+        new = default.add(label,data)
         if N_values == default.N_points: assert label in new.labels['Point Data']
         if N_values == default.N_cells:  assert label in new.labels['Cell Data']
 
@@ -217,7 +223,7 @@ class TestVTK:
     @pytest.mark.xfail(int(vtk.vtkVersion.GetVTKVersion().split('.')[0])<8, reason='missing METADATA')
     def test_compare_reference_polyData(self,update,ref_path,tmp_path):
         points=np.dstack((np.linspace(0.,1.,10),np.linspace(0.,2.,10),np.linspace(-1.,1.,10))).squeeze()
-        polyData = VTK.from_poly_data(points).add(points,'coordinates')
+        polyData = VTK.from_poly_data(points).add('coordinates',points)
         if update:
             polyData.save(ref_path/'polyData')
         else:
@@ -234,8 +240,8 @@ class TestVTK:
         c = coords[:-1,:-1,:-1,:].reshape(-1,3,order='F')
         n = coords[:,:,:,:].reshape(-1,3,order='F')
         rectilinearGrid = VTK.from_rectilinear_grid(grid) \
-                        .add(np.ascontiguousarray(c),'cell') \
+                        .add('cell',np.ascontiguousarray(c)) \
-                        .add(np.ascontiguousarray(n),'node')
+                        .add('node',np.ascontiguousarray(n))
         if update:
             rectilinearGrid.save(ref_path/'rectilinearGrid')
         else: