enhance grid to store initial conditions

python/damask/_grid.py

@@ -34,7 +34,8 @@ class Grid:
                  material: np.ndarray,
                  size: FloatSequence,
                  origin: FloatSequence = np.zeros(3),
-                 comments: Union[str, Sequence[str]] = None):
+                 comments: Union[str, Sequence[str]] = None,
+                 initial_conditions = None):
         """
         New geometry definition for grid solvers.
 
@@ -55,7 +56,7 @@ class Grid:
         self.size = size                                                                            # type: ignore
         self.origin = origin                                                                        # type: ignore
         self.comments = [] if comments is None else comments                                        # type: ignore
-
+        self.ic = initial_conditions if initial_conditions is not None else {}
 
     def __repr__(self) -> str:
         """Give short human-readable summary."""
@@ -68,7 +69,7 @@ class Grid:
                f'origin: {util.srepr(self.origin,"   ")} m',
                f'# materials: {mat_N}' + ('' if mat_min == 0 and mat_max+1 == mat_N else
                                           f' (min: {mat_min}, max: {mat_max})')
-              ])
+               ]+(['initial_conditions:']+[f'  - {f}' for f in self.ic.keys()] if self.ic else []))
 
 
     def __copy__(self) -> 'Grid':
@@ -187,11 +188,13 @@ class Grid:
         cells = np.array(v.vtk_data.GetDimensions())-1
         bbox  = np.array(v.vtk_data.GetBounds()).reshape(3,2).T
         comments = v.comments
+        ic = {label:v.get(label).reshape(cells,order='F') for label in set(v.labels['Cell Data']) - {'material'}}
 
         return Grid(material = v.get('material').reshape(cells,order='F'),
                     size = bbox[1] - bbox[0],
                     origin = bbox[0],
-                    comments = comments)
+                    comments = comments,
+                    initial_conditions = ic)
 
 
     @typing. no_type_check
@@ -646,7 +649,9 @@ class Grid:
         """
         v = VTK.from_image_data(self.cells,self.size,self.origin)\
            .add(self.material.flatten(order='F'),'material')
-        v.comments += self.comments
+        for label,field in self.fields.items():
+            v = v.add(field.flatten(order='F'),label)
+        v.comments = self.comments
 
         v.save(fname,parallel=False,compress=compress)
 
@@ -683,7 +688,7 @@ class Grid:
 
 
     def show(self,
-             colormap: Colormap = Colormap.from_predefined('cividis')) -> None:
+             colormap: Colormap = None) -> None:
         """
         Show on screen.
 

python/damask/_vtk.py

@@ -503,11 +503,21 @@ class VTK:
 
     def show(self,
              label: str = None,
-             colormap: Colormap = Colormap.from_predefined('cividis')):
+             colormap: Colormap = None):
         """
         Render.
 
+        Parameters
+        ----------
+        label : str, optional
+            Label of the dataset to show.
+        colormap : damask.Colormap, optional
+            Colormap for visualization of dataset.
+
+        Notes
+        -----
            See http://compilatrix.com/article/vtk-1 for further ideas.
+
         """
         try:
             import wx
@@ -525,8 +535,9 @@ class VTK:
                 height =  768
 
         lut = vtk.vtkLookupTable()
-        lut.SetNumberOfTableValues(len(colormap.colors))
+        colormap_ = Colormap.from_predefined('cividis') if colormap is None else colormap
-        for i,c in enumerate(colormap.colors):
+        lut.SetNumberOfTableValues(len(colormap_.colors))
+        for i,c in enumerate(colormap_.colors):
             lut.SetTableValue(i,c if len(c)==4 else np.append(c,1.0))
         lut.Build()
 
@@ -545,11 +556,11 @@ class VTK:
         if label is None:
             ren.SetBackground(67/255,128/255,208/255)
         else:
-            colormap = vtk.vtkScalarBarActor()
+            colormap_vtk = vtk.vtkScalarBarActor()
-            colormap.SetLookupTable(lut)
+            colormap_vtk.SetLookupTable(lut)
-            colormap.SetTitle(label)
+            colormap_vtk.SetTitle(label)
-            colormap.SetMaximumWidthInPixels(width//100)
+            colormap_vtk.SetMaximumWidthInPixels(width//100)
-            ren.AddActor2D(colormap)
+            ren.AddActor2D(colormap_vtk)
             ren.SetBackground(0.3,0.3,0.3)
 
         window = vtk.vtkRenderWindow()