merged the newest development

PRIVATE

@@ -1 +1 @@
-Subproject commit 6f4a7a8598dfceae5c2178c8c2554245d8164cb2
+Subproject commit bc2c8e3b8f405fdda0d69a2900d9b94c7cc0936f

VERSION

@@ -1 +1 @@
-3.0.0-alpha8-50-gf02c1dc44
+3.0.0-alpha8-53-g05c4fcbea

processing/mentat_spectralBox.py

@@ -193,7 +193,7 @@ if filenames == []: filenames = [None]
 for name in filenames:
     print(script_name+': '+name)
 
-    geom = damask.Grid.load(StringIO(''.join(sys.stdin.read())) if name is None else name)
+    geom = damask.GeomGrid.load(StringIO(''.join(sys.stdin.read())) if name is None else name)
     material = geom.material.flatten(order='F')
 
     cmds = [\

python/damask/__init__.py

@@ -26,5 +26,5 @@ from ._vtk             import VTK              # noqa
 from ._config          import Config           # noqa
 from ._configmaterial  import ConfigMaterial   # noqa
 from ._loadcasegrid    import LoadcaseGrid     # noqa
-from ._grid            import Grid             # noqa
+from ._geomgrid        import GeomGrid         # noqa
 from ._result          import Result           # noqa

python/damask/_configmaterial.py

@@ -144,7 +144,7 @@ class ConfigMaterial(Config):
 
         Notes
         -----
-        damask.Grid.load_DREAM3D gives the corresponding geometry for
+        damask.GeomGrid.load_DREAM3D gives the corresponding geometry for
         the grid solver.
 
         For cell-wise data, only unique combinations of

python/damask/_geomgrid.py

@@ -28,7 +28,7 @@ def numba_njit_wrapper(**kwargs):
     return (lambda function: nb.njit(function) if nb else function)
 
 
-class Grid:
+class GeomGrid:
     """
     Geometry definition for grid solvers.
 
@@ -89,7 +89,7 @@ class Grid:
                ]+(['initial_conditions:']+[f'  - {f}' for f in self.initial_conditions] if self.initial_conditions else []))
 
 
-    def __copy__(self) -> 'Grid':
+    def __copy__(self) -> 'GeomGrid':
         """
         Return deepcopy(self).
 
@@ -110,11 +110,11 @@ class Grid:
 
         Parameters
         ----------
-        other : damask.Grid
+        other : damask.GeomGrid
-            Grid to compare self against.
+            GeomGrid to compare self against.
 
         """
-        if not isinstance(other, Grid):
+        if not isinstance(other, GeomGrid):
             return NotImplemented
         return bool(    np.allclose(other.size,self.size)
                     and np.allclose(other.origin,self.origin)
@@ -197,20 +197,20 @@ class Grid:
 
 
     @staticmethod
-    def load(fname: Union[str, Path]) -> 'Grid':
+    def load(fname: Union[str, Path]) -> 'GeomGrid':
         """
         Load from VTK ImageData file.
 
         Parameters
         ----------
         fname : str or pathlib.Path
-            Grid file to read.
+            GeomGrid file to read.
             Valid extension is .vti, which will be appended if not given.
 
         Returns
         -------
-        loaded : damask.Grid
+        loaded : damask.GeomGrid
-            Grid-based geometry from file.
+            GeomGrid-based geometry from file.
 
         """
         v = VTK.load(fname if str(fname).endswith('.vti') else str(fname)+'.vti')
@@ -218,17 +218,17 @@ class Grid:
         bbox  = np.array(v.vtk_data.GetBounds()).reshape(3,2).T
         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'),
+        return GeomGrid(material = v.get('material').reshape(cells,order='F'),
-                    size     = bbox[1] - bbox[0],
+                        size     = bbox[1] - bbox[0],
-                    origin   = bbox[0],
+                        origin   = bbox[0],
-                    initial_conditions = ic,
+                        initial_conditions = ic,
-                    comments = v.comments,
+                        comments = v.comments,
-                   )
+                       )
 
 
     @typing.no_type_check
     @staticmethod
-    def load_ASCII(fname)-> 'Grid':
+    def load_ASCII(fname)-> 'GeomGrid':
         """
         Load from geom file.
 
@@ -242,8 +242,8 @@ class Grid:
 
         Returns
         -------
-        loaded : damask.Grid
+        loaded : damask.GeomGrid
-            Grid-based geometry from file.
+            GeomGrid-based geometry from file.
 
         """
         warnings.warn('Support for ASCII-based geom format will be removed in DAMASK 3.0.0', DeprecationWarning,2)
@@ -296,14 +296,15 @@ class Grid:
         if not np.any(np.mod(material,1) != 0.0):                                                   # no float present
             material = material.astype(np.int64) - (1 if material.min() > 0 else 0)
 
-        return Grid(material = material.reshape(cells,order='F'),
+        return GeomGrid(material = material.reshape(cells,order='F'),
-                    size     = size,
+                        size     = size,
-                    origin   = origin,
+                        origin   = origin,
-                    comments = comments)
+                        comments = comments,
+                       )
 
 
     @staticmethod
-    def load_Neper(fname: Union[str, Path]) -> 'Grid':
+    def load_Neper(fname: Union[str, Path]) -> 'GeomGrid':
         """
         Load from Neper VTK file.
 
@@ -314,8 +315,8 @@ class Grid:
 
         Returns
         -------
-        loaded : damask.Grid
+        loaded : damask.GeomGrid
-            Grid-based geometry from file.
+            GeomGrid-based geometry from file.
 
         Notes
         -----
@@ -330,7 +331,7 @@ class Grid:
         >>> N_grains = 20
         >>> cells = (32,32,32)
         >>> damask.util.run(f'neper -T -n {N_grains} -tesrsize {cells[0]}:{cells[1]}:{cells[2]} -periodicity all -format vtk')
-        >>> damask.Grid.load_Neper(f'n{N_grains}-id1.vtk').renumber()
+        >>> damask.GeomGrid.load_Neper(f'n{N_grains}-id1.vtk').renumber()
         cells:  32 × 32 × 32
         size:   1.0 × 1.0 × 1.0 m³
         origin: 0.0   0.0   0.0 m
@@ -341,11 +342,11 @@ class Grid:
         cells = np.array(v.vtk_data.GetDimensions())-1
         bbox  = np.array(v.vtk_data.GetBounds()).reshape(3,2).T
 
-        return Grid(material = v.get('MaterialId').reshape(cells,order='F').astype('int32',casting='unsafe'),
+        return GeomGrid(material = v.get('MaterialId').reshape(cells,order='F').astype('int32',casting='unsafe'),
-                    size     = bbox[1] - bbox[0],
+                        size     = bbox[1] - bbox[0],
-                    origin   = bbox[0],
+                        origin   = bbox[0],
-                    comments = util.execution_stamp('Grid','load_Neper'),
+                        comments = util.execution_stamp('GeomGrid','load_Neper'),
-                   )
+                       )
 
 
     @staticmethod
@@ -354,7 +355,7 @@ class Grid:
                      cell_data: Optional[str] = None,
                      phases: str = 'Phases',
                      Euler_angles: str = 'EulerAngles',
-                     base_group: Optional[str] = None) -> 'Grid':
+                     base_group: Optional[str] = None) -> 'GeomGrid':
         """
         Load DREAM.3D (HDF5) file.
 
@@ -389,8 +390,8 @@ class Grid:
 
         Returns
         -------
-        loaded : damask.Grid
+        loaded : damask.GeomGrid
-            Grid-based geometry from file.
+            GeomGrid-based geometry from file.
 
         Notes
         -----
@@ -418,17 +419,17 @@ class Grid:
             else:
                 ma = f['/'.join([b,c,feature_IDs])][()].flatten()
 
-        return Grid(material = ma.reshape(cells,order='F'),
+        return GeomGrid(material = ma.reshape(cells,order='F'),
-                    size     = size,
+                        size     = size,
-                    origin   = origin,
+                        origin   = origin,
-                    comments = util.execution_stamp('Grid','load_DREAM3D'),
+                        comments = util.execution_stamp('GeomGrid','load_DREAM3D'),
-                   )
+                       )
 
 
     @staticmethod
     def from_table(table: Table,
                    coordinates: str,
-                   labels: Union[str, Sequence[str]]) -> 'Grid':
+                   labels: Union[str, Sequence[str]]) -> 'GeomGrid':
         """
         Create grid from ASCII table.
 
@@ -445,8 +446,8 @@ class Grid:
 
         Returns
         -------
-        new : damask.Grid
+        new : damask.GeomGrid
-            Grid-based geometry from values in table.
+            GeomGrid-based geometry from values in table.
 
         """
         cells,size,origin = grid_filters.cellsSizeOrigin_coordinates0_point(table.get(coordinates))
@@ -457,11 +458,11 @@ class Grid:
         ma = np.arange(cells.prod()) if len(unique) == cells.prod() else \
              np.arange(unique.size)[np.argsort(pd.unique(unique_inverse))][unique_inverse]
 
-        return Grid(material = ma.reshape(cells,order='F'),
+        return GeomGrid(material = ma.reshape(cells,order='F'),
-                    size     = size,
+                        size     = size,
-                    origin   = origin,
+                        origin   = origin,
-                    comments = util.execution_stamp('Grid','from_table'),
+                        comments = util.execution_stamp('GeomGrid','from_table'),
-                   )
+                       )
 
 
     @staticmethod
@@ -500,8 +501,8 @@ class Grid:
 
         Returns
         -------
-        new : damask.Grid
+        new : damask.GeomGrid
-            Grid-based geometry from tessellation.
+            GeomGrid-based geometry from tessellation.
 
         """
         weights_p: FloatSequence
@@ -517,17 +518,17 @@ class Grid:
         coords = grid_filters.coordinates0_point(cells,size).reshape(-1,3)
 
         pool = mp.Pool(int(os.environ.get('OMP_NUM_THREADS',4)))
-        result = pool.map_async(partial(Grid._find_closest_seed,seeds_p,weights_p), coords)
+        result = pool.map_async(partial(GeomGrid._find_closest_seed,seeds_p,weights_p), coords)
         pool.close()
         pool.join()
         material_ = np.array(result.get()).reshape(cells)
 
         if periodic: material_ %= len(weights)
 
-        return Grid(material = material_ if material is None else np.array(material)[material_],
+        return GeomGrid(material = material_ if material is None else np.array(material)[material_],
-                    size     = size,
+                        size     = size,
-                    comments = util.execution_stamp('Grid','from_Laguerre_tessellation'),
+                        comments = util.execution_stamp('GeomGrid','from_Laguerre_tessellation'),
-                   )
+                       )
 
 
     @staticmethod
@@ -535,7 +536,7 @@ class Grid:
                                   size: FloatSequence,
                                   seeds: np.ndarray,
                                   material: Optional[IntSequence] = None,
-                                  periodic: bool = True) -> 'Grid':
+                                  periodic: bool = True) -> 'GeomGrid':
         """
         Create grid from Voronoi tessellation.
 
@@ -556,8 +557,8 @@ class Grid:
 
         Returns
         -------
-        new : damask.Grid
+        new : damask.GeomGrid
-            Grid-based geometry from tessellation.
+            GeomGrid-based geometry from tessellation.
 
         """
         coords = grid_filters.coordinates0_point(cells,size).reshape(-1,3)
@@ -568,10 +569,10 @@ class Grid:
         except TypeError:
             material_ = tree.query(coords, n_jobs = int(os.environ.get('OMP_NUM_THREADS',4)))[1]    # scipy <1.6
 
-        return Grid(material = (material_ if material is None else np.array(material)[material_]).reshape(cells),
+        return GeomGrid(material = (material_ if material is None else np.array(material)[material_]).reshape(cells),
-                    size     = size,
+                        size     = size,
-                    comments = util.execution_stamp('Grid','from_Voronoi_tessellation'),
+                        comments = util.execution_stamp('GeomGrid','from_Voronoi_tessellation'),
-                   )
+                       )
 
 
     _minimal_surface = \
@@ -622,7 +623,7 @@ class Grid:
                              surface: str,
                              threshold: float = 0.0,
                              periods: int = 1,
-                             materials: IntSequence = (0,1)) -> 'Grid':
+                             materials: IntSequence = (0,1)) -> 'GeomGrid':
         """
         Create grid from definition of triply-periodic minimal surface.
 
@@ -643,8 +644,8 @@ class Grid:
 
         Returns
         -------
-        new : damask.Grid
+        new : damask.GeomGrid
-            Grid-based geometry from definition of minimal surface.
+            GeomGrid-based geometry from definition of minimal surface.
 
         Notes
         -----
@@ -679,7 +680,7 @@ class Grid:
 
         >>> import numpy as np
         >>> import damask
-        >>> damask.Grid.from_minimal_surface([64]*3,np.ones(3)*1.e-4,'Gyroid')
+        >>> damask.GeomGrid.from_minimal_surface([64]*3,np.ones(3)*1.e-4,'Gyroid')
         cells : 64 × 64 × 64
         size  : 0.0001 × 0.0001 × 0.0001 m³
         origin: 0.0   0.0   0.0 m
@@ -689,7 +690,7 @@ class Grid:
 
         >>> import numpy as np
         >>> import damask
-        >>> damask.Grid.from_minimal_surface([80]*3,np.ones(3)*5.e-4,
+        >>> damask.GeomGrid.from_minimal_surface([80]*3,np.ones(3)*5.e-4,
         ...                                  'Neovius',materials=(1,5))
         cells : 80 × 80 × 80
         size  : 0.0005 × 0.0005 × 0.0005 m³
@@ -701,10 +702,10 @@ class Grid:
                             periods*2.0*np.pi*(np.arange(cells[1])+0.5)/cells[1],
                             periods*2.0*np.pi*(np.arange(cells[2])+0.5)/cells[2],
                             indexing='ij',sparse=True)
-        return Grid(material = np.where(threshold < Grid._minimal_surface[surface](x,y,z),materials[1],materials[0]),
+        return GeomGrid(material = np.where(threshold < GeomGrid._minimal_surface[surface](x,y,z),materials[1],materials[0]),
-                    size     = size,
+                        size     = size,
-                    comments = util.execution_stamp('Grid','from_minimal_surface'),
+                        comments = util.execution_stamp('GeomGrid','from_minimal_surface'),
-                   )
+                       )
 
 
     def save(self,
@@ -781,7 +782,7 @@ class Grid:
     def canvas(self,
                cells: Optional[IntSequence] = None,
                offset: Optional[IntSequence] = None,
-               fill: Optional[int] = None) -> 'Grid':
+               fill: Optional[int] = None) -> 'GeomGrid':
         """
         Crop or enlarge/pad grid.
 
@@ -798,7 +799,7 @@ class Grid:
 
         Returns
         -------
-        updated : damask.Grid
+        updated : damask.GeomGrid
             Updated grid-based geometry.
 
         Examples
@@ -807,7 +808,7 @@ class Grid:
 
         >>> import numpy as np
         >>> import damask
-        >>> g = damask.Grid(np.zeros([32]*3,int),np.ones(3)*1e-3)
+        >>> g = damask.GeomGrid(np.zeros([32]*3,int),np.ones(3)*1e-3)
         >>> g.canvas([32,32,16],[0,0,16])
         cells:  32 × 32 × 16
         size:   0.001 × 0.001 × 0.0005 m³
@@ -827,16 +828,16 @@ class Grid:
 
         canvas[ll[0]:ur[0],ll[1]:ur[1],ll[2]:ur[2]] = self.material[LL[0]:UR[0],LL[1]:UR[1],LL[2]:UR[2]]
 
-        return Grid(material = canvas,
+        return GeomGrid(material = canvas,
-                    size     = self.size/self.cells*np.asarray(canvas.shape),
+                        size     = self.size/self.cells*np.asarray(canvas.shape),
-                    origin   = self.origin+offset_*self.size/self.cells,
+                        origin   = self.origin+offset_*self.size/self.cells,
-                    comments = self.comments+[util.execution_stamp('Grid','canvas')],
+                        comments = self.comments+[util.execution_stamp('GeomGrid','canvas')],
-                   )
+                       )
 
 
     def mirror(self,
                directions: Sequence[str],
-               reflect: bool = False) -> 'Grid':
+               reflect: bool = False) -> 'GeomGrid':
         """
         Mirror grid along given directions.
 
@@ -849,7 +850,7 @@ class Grid:
 
         Returns
         -------
-        updated : damask.Grid
+        updated : damask.GeomGrid
             Updated grid-based geometry.
 
         Examples
@@ -858,7 +859,7 @@ class Grid:
 
         >>> import numpy as np
         >>> import damask
-        >>> (g := damask.Grid(np.arange(4*5*6).reshape([4,5,6]),np.ones(3)))
+        >>> (g := damask.GeomGrid(np.arange(4*5*6).reshape([4,5,6]),np.ones(3)))
         cells:  4 × 5 × 6
         size:   1.0 × 1.0 × 1.0 m³
         origin: 0.0   0.0   0.0 m
@@ -896,15 +897,15 @@ class Grid:
         if 'z' in directions:
             mat = np.concatenate([mat,mat[:,:,limits[0]:limits[1]:-1]],2)
 
-        return Grid(material = mat,
+        return GeomGrid(material = mat,
-                    size     = self.size/self.cells*np.asarray(mat.shape),
+                        size     = self.size/self.cells*np.asarray(mat.shape),
-                    origin   = self.origin,
+                        origin   = self.origin,
-                    comments = self.comments+[util.execution_stamp('Grid','mirror')],
+                        comments = self.comments+[util.execution_stamp('GeomGrid','mirror')],
-                   )
+                       )
 
 
     def flip(self,
-             directions: Sequence[str]) -> 'Grid':
+             directions: Sequence[str]) -> 'GeomGrid':
         """
         Flip grid along given directions.
 
@@ -915,7 +916,7 @@ class Grid:
 
         Returns
         -------
-        updated : damask.Grid
+        updated : damask.GeomGrid
             Updated grid-based geometry.
 
         Examples
@@ -924,7 +925,7 @@ class Grid:
 
         >>> import numpy as np
         >>> import damask
-        >>> (g := damask.Grid(np.arange(4*5*6).reshape([4,5,6]),np.ones(3)))
+        >>> (g := damask.GeomGrid(np.arange(4*5*6).reshape([4,5,6]),np.ones(3)))
         cells:  4 × 5 × 6
         size:   1.0 × 1.0 × 1.0 m³
         origin: 0.0   0.0   0.0 m
@@ -943,16 +944,16 @@ class Grid:
 
         mat = np.flip(self.material, [valid.index(d) for d in directions if d in valid])
 
-        return Grid(material = mat,
+        return GeomGrid(material = mat,
-                    size     = self.size,
+                        size     = self.size,
-                    origin   = self.origin,
+                        origin   = self.origin,
-                    comments = self.comments+[util.execution_stamp('Grid','flip')],
+                        comments = self.comments+[util.execution_stamp('GeomGrid','flip')],
-                   )
+                       )
 
 
     def rotate(self,
                R: Rotation,
-               fill: Optional[int] = None) -> 'Grid':
+               fill: Optional[int] = None) -> 'GeomGrid':
         """
         Rotate grid (possibly extending its bounding box).
 
@@ -966,7 +967,7 @@ class Grid:
 
         Returns
         -------
-        updated : damask.Grid
+        updated : damask.GeomGrid
             Updated grid-based geometry.
 
         Examples
@@ -975,7 +976,7 @@ class Grid:
 
         >>> import numpy as np
         >>> import damask
-        >>> (g := damask.Grid(np.arange(4*5*6).reshape([4,5,6]),np.ones(3)))
+        >>> (g := damask.GeomGrid(np.arange(4*5*6).reshape([4,5,6]),np.ones(3)))
         cells:  4 × 5 × 6
         size:   1.0 × 1.0 × 1.0 m³
         origin: 0.0   0.0   0.0 m
@@ -997,15 +998,15 @@ class Grid:
 
         origin = self.origin-(np.asarray(material.shape)-self.cells)*.5 * self.size/self.cells
 
-        return Grid(material = material,
+        return GeomGrid(material = material,
-                    size     = self.size/self.cells*np.asarray(material.shape),
+                        size     = self.size/self.cells*np.asarray(material.shape),
-                    origin   = origin,
+                        origin   = origin,
-                    comments = self.comments+[util.execution_stamp('Grid','rotate')],
+                        comments = self.comments+[util.execution_stamp('GeomGrid','rotate')],
-                   )
+                       )
 
 
     def scale(self,
-              cells: IntSequence) -> 'Grid':
+              cells: IntSequence) -> 'GeomGrid':
         """
         Scale grid to new cell counts.
 
@@ -1016,7 +1017,7 @@ class Grid:
 
         Returns
         -------
-        updated : damask.Grid
+        updated : damask.GeomGrid
             Updated grid-based geometry.
 
         Examples
@@ -1025,7 +1026,7 @@ class Grid:
 
         >>> import numpy as np
         >>> import damask
-        >>> (g := damask.Grid(np.zeros([32]*3,int),np.ones(3)*1e-4))
+        >>> (g := damask.GeomGrid(np.zeros([32]*3,int),np.ones(3)*1e-4))
         cells:  32 × 32 × 32
         size:   0.0001 × 0.0001 × 0.0001 m³
         origin: 0.0   0.0   0.0 m
@@ -1043,28 +1044,28 @@ class Grid:
                                points=orig,method='nearest',bounds_error=False,fill_value=None)
         new = grid_filters.coordinates0_point(cells,self.size,self.origin)
 
-        return Grid(material = interpolator(values=self.material)(new).astype(int),
+        return GeomGrid(material = interpolator(values=self.material)(new).astype(int),
-                    size     = self.size,
+                        size     = self.size,
-                    origin   = self.origin,
+                        origin   = self.origin,
-                    initial_conditions = {k: interpolator(values=v)(new)
+                        initial_conditions = {k: interpolator(values=v)(new)
-                                          for k,v in self.initial_conditions.items()},
+                                              for k,v in self.initial_conditions.items()},
-                    comments = self.comments+[util.execution_stamp('Grid','scale')],
+                        comments = self.comments+[util.execution_stamp('GeomGrid','scale')],
-                   )
+                       )
 
 
     def assemble(self,
-                 idx: np.ndarray) -> 'Grid':
+                 idx: np.ndarray) -> 'GeomGrid':
         """
         Assemble new grid from index map.
 
         Parameters
         ----------
         idx : numpy.ndarray of int, shape (:,:,:) or (:,:,:,3)
-            Grid of flat indices or coordinate indices.
+            GeomGrid of flat indices or coordinate indices.
 
         Returns
         -------
-        updated : damask.Grid
+        updated : damask.GeomGrid
             Updated grid-based geometry.
             Cell count of resulting grid matches shape of index map.
 
@@ -1073,37 +1074,37 @@ class Grid:
         flat = (idx if len(idx.shape)==3 else grid_filters.ravel_index(idx)).flatten(order='F')
         ic = {k: v.flatten(order='F')[flat].reshape(cells,order='F') for k,v in self.initial_conditions.items()}
 
-        return Grid(material = self.material.flatten(order='F')[flat].reshape(cells,order='F'),
+        return GeomGrid(material = self.material.flatten(order='F')[flat].reshape(cells,order='F'),
-                    size     = self.size,
+                        size     = self.size,
-                    origin   = self.origin,
+                        origin   = self.origin,
-                    initial_conditions = ic,
+                        initial_conditions = ic,
-                    comments = self.comments+[util.execution_stamp('Grid','assemble')],
+                        comments = self.comments+[util.execution_stamp('GeomGrid','assemble')],
-                   )
+                       )
 
 
-    def renumber(self) -> 'Grid':
+    def renumber(self) -> 'GeomGrid':
         """
         Renumber sorted material indices as 0,...,N-1.
 
         Returns
         -------
-        updated : damask.Grid
+        updated : damask.GeomGrid
             Updated grid-based geometry.
 
         """
         _,renumbered = np.unique(self.material,return_inverse=True)
 
-        return Grid(material = renumbered.reshape(self.cells),
+        return GeomGrid(material = renumbered.reshape(self.cells),
-                    size     = self.size,
+                        size     = self.size,
-                    origin   = self.origin,
+                        origin   = self.origin,
-                    initial_conditions = self.initial_conditions,
+                        initial_conditions = self.initial_conditions,
-                    comments = self.comments+[util.execution_stamp('Grid','renumber')],
+                        comments = self.comments+[util.execution_stamp('GeomGrid','renumber')],
-                   )
+                       )
 
 
     def substitute(self,
                    from_material: Union[int,IntSequence],
-                   to_material: Union[int,IntSequence]) -> 'Grid':
+                   to_material: Union[int,IntSequence]) -> 'GeomGrid':
         """
         Substitute material indices.
 
@@ -1116,7 +1117,7 @@ class Grid:
 
         Returns
         -------
-        updated : damask.Grid
+        updated : damask.GeomGrid
             Updated grid-based geometry.
 
         """
@@ -1125,21 +1126,21 @@ class Grid:
                        to_material if isinstance(to_material,(Sequence,np.ndarray)) else [to_material]): # ToDo Python 3.10 has strict mode for zip
             material[self.material==f] = t
 
-        return Grid(material = material,
+        return GeomGrid(material = material,
-                    size     = self.size,
+                        size     = self.size,
-                    origin   = self.origin,
+                        origin   = self.origin,
-                    initial_conditions = self.initial_conditions,
+                        initial_conditions = self.initial_conditions,
-                    comments = self.comments+[util.execution_stamp('Grid','substitute')],
+                        comments = self.comments+[util.execution_stamp('GeomGrid','substitute')],
-                   )
+                       )
 
 
-    def sort(self) -> 'Grid':
+    def sort(self) -> 'GeomGrid':
         """
         Sort material indices such that min(material ID) is located at (0,0,0).
 
         Returns
         -------
-        updated : damask.Grid
+        updated : damask.GeomGrid
             Updated grid-based geometry.
 
         """
@@ -1148,12 +1149,12 @@ class Grid:
         sort_idx = np.argsort(from_ma)
         ma = np.unique(a)[sort_idx][np.searchsorted(from_ma,a,sorter = sort_idx)]
 
-        return Grid(material = ma.reshape(self.cells,order='F'),
+        return GeomGrid(material = ma.reshape(self.cells,order='F'),
-                    size     = self.size,
+                        size     = self.size,
-                    origin   = self.origin,
+                        origin   = self.origin,
-                    initial_conditions = self.initial_conditions,
+                        initial_conditions = self.initial_conditions,
-                    comments = self.comments+[util.execution_stamp('Grid','sort')],
+                        comments = self.comments+[util.execution_stamp('GeomGrid','sort')],
-                   )
+                       )
 
 
     def clean(self,
@@ -1161,7 +1162,7 @@ class Grid:
               selection: Optional[IntSequence] = None,
               invert_selection: bool = False,
               periodic: bool = True,
-              rng_seed: Optional[NumpyRngSeed] = None) -> 'Grid':
+              rng_seed: Optional[NumpyRngSeed] = None) -> 'GeomGrid':
         """
         Smooth grid by selecting most frequent material ID within given stencil at each location.
 
@@ -1182,7 +1183,7 @@ class Grid:
 
         Returns
         -------
-        updated : damask.Grid
+        updated : damask.GeomGrid
             Updated grid-based geometry.
 
         Notes
@@ -1216,12 +1217,12 @@ class Grid:
                                           mode='wrap' if periodic else 'nearest',
                                           extra_keywords=dict(selection=selection_,rng=rng),
                                          ).astype(self.material.dtype)
-        return Grid(material = material,
+        return GeomGrid(material = material,
-                    size     = self.size,
+                        size     = self.size,
-                    origin   = self.origin,
+                        origin   = self.origin,
-                    initial_conditions = self.initial_conditions,
+                        initial_conditions = self.initial_conditions,
-                    comments = self.comments+[util.execution_stamp('Grid','clean')],
+                        comments = self.comments+[util.execution_stamp('GeomGrid','clean')],
-                   )
+                       )
 
 
     def add_primitive(self,
@@ -1231,7 +1232,7 @@ class Grid:
                       fill: Optional[int] = None,
                       R: Rotation = Rotation(),
                       inverse: bool = False,
-                      periodic: bool = True) -> 'Grid':
+                      periodic: bool = True) -> 'GeomGrid':
         """
         Insert a primitive geometric object at a given position.
 
@@ -1261,7 +1262,7 @@ class Grid:
 
         Returns
         -------
-        updated : damask.Grid
+        updated : damask.GeomGrid
             Updated grid-based geometry.
 
         Examples
@@ -1270,7 +1271,7 @@ class Grid:
 
         >>> import numpy as np
         >>> import damask
-        >>> g = damask.Grid(np.zeros([64]*3,int), np.ones(3)*1e-4)
+        >>> g = damask.GeomGrid(np.zeros([64]*3,int), np.ones(3)*1e-4)
         >>> g.add_primitive(np.ones(3)*5e-5,np.ones(3)*5e-5,1)
         cells : 64 × 64 × 64
         size  : 0.0001 × 0.0001 × 0.0001 m³
@@ -1281,7 +1282,7 @@ class Grid:
 
         >>> import numpy as np
         >>> import damask
-        >>> g = damask.Grid(np.zeros([64]*3,int), np.ones(3)*1e-4)
+        >>> g = damask.GeomGrid(np.zeros([64]*3,int), np.ones(3)*1e-4)
         >>> g.add_primitive(np.ones(3,int)*32,np.zeros(3),np.inf)
         cells : 64 × 64 × 64
         size  : 0.0001 × 0.0001 × 0.0001 m³
@@ -1307,14 +1308,14 @@ class Grid:
         if periodic:                                                                                # translate back to center
             mask = np.roll(mask,((c/self.size-0.5)*self.cells).round().astype(np.int64),(0,1,2))
 
-        return Grid(material = np.where(np.logical_not(mask) if inverse else mask,
+        return GeomGrid(material = np.where(np.logical_not(mask) if inverse else mask,
                                         self.material,
                                         np.nanmax(self.material)+1 if fill is None else fill),
-                    size     = self.size,
+                        size     = self.size,
-                    origin   = self.origin,
+                        origin   = self.origin,
-                    initial_conditions = self.initial_conditions,
+                        initial_conditions = self.initial_conditions,
-                    comments = self.comments+[util.execution_stamp('Grid','add_primitive')],
+                        comments = self.comments+[util.execution_stamp('GeomGrid','add_primitive')],
-                   )
+                       )
 
 
     def vicinity_offset(self,
@@ -1322,7 +1323,7 @@ class Grid:
                         offset: Optional[int] = None,
                         selection: Optional[IntSequence] = None,
                         invert_selection: bool = False,
-                        periodic: bool = True) -> 'Grid':
+                        periodic: bool = True) -> 'GeomGrid':
         """
         Offset material ID of points in the vicinity of selected (or just other) material IDs.
 
@@ -1348,7 +1349,7 @@ class Grid:
 
         Returns
         -------
-        updated : damask.Grid
+        updated : damask.GeomGrid
             Updated grid-based geometry.
 
         """
@@ -1380,12 +1381,12 @@ class Grid:
                                       extra_keywords=dict(selection=selection_),
                                      )
 
-        return Grid(material = np.where(mask, self.material + offset_,self.material),
+        return GeomGrid(material = np.where(mask, self.material + offset_,self.material),
-                    size     = self.size,
+                        size     = self.size,
-                    origin   = self.origin,
+                        origin   = self.origin,
-                    initial_conditions = self.initial_conditions,
+                        initial_conditions = self.initial_conditions,
-                    comments = self.comments+[util.execution_stamp('Grid','vicinity_offset')],
+                        comments = self.comments+[util.execution_stamp('GeomGrid','vicinity_offset')],
-                   )
+                       )
 
 
     def get_grain_boundaries(self,

python/damask/seeds.py

@@ -116,7 +116,7 @@ def from_grid(grid,
 
     Parameters
     ----------
-    grid : damask.Grid
+    grid : damask.GeomGrid
         Grid from which the material IDs are used as seeds.
     selection : (sequence of) int, optional
         Material IDs to consider.
@@ -138,7 +138,7 @@ def from_grid(grid,
     -----
     The origin is not considered in order to obtain coordinates
     in a coordinate system located at the origin. This is expected
-    by damask.Grid.from_Voronoi_tessellation.
+    by damask.GeomGrid.from_Voronoi_tessellation.
 
     Examples
     --------
@@ -148,7 +148,7 @@ def from_grid(grid,
     >>> import scipy.spatial
     >>> import damask
     >>> seeds = damask.seeds.from_random(np.ones(3),29,[128]*3)
-    >>> (g := damask.Grid.from_Voronoi_tessellation([128]*3,np.ones(3),seeds))
+    >>> (g := damask.GeomGrid.from_Voronoi_tessellation([128]*3,np.ones(3),seeds))
     cells:  128 × 128 × 128
     size:   1.0 × 1.0 × 1.0 m³
     origin: 0.0   0.0   0.0 m

python/tests/resources/ConfigMaterial/2phase_irregularGrid.dream3d

@@ -1 +1 @@
-../Grid/2phase_irregularGrid.dream3d
+../GeomGrid/2phase_irregularGrid.dream3d

python/tests/resources/ConfigMaterial/2phase_irregularGrid.json

@@ -1 +1 @@
-../Grid/2phase_irregularGrid.json
+../GeomGrid/2phase_irregularGrid.json

python/tests/resources/ConfigMaterial/2phase_irregularGrid.xdmf

@@ -1 +1 @@
-../Grid/2phase_irregularGrid.xdmf
+../GeomGrid/2phase_irregularGrid.xdmf

python/tests/resources/ConfigMaterial/measured.dream3d

@@ -1 +1 @@
-../Grid/measured.dream3d
+../GeomGrid/measured.dream3d

python/tests/resources/ConfigMaterial/measured.xdmf

@@ -1 +1 @@
-../Grid/measured.xdmf
+../GeomGrid/measured.xdmf

python/tests/test_ConfigMaterial.py

@@ -6,7 +6,7 @@ import numpy as np
 from damask import ConfigMaterial
 from damask import Table
 from damask import Rotation
-from damask import Grid
+from damask import GeomGrid
 
 @pytest.fixture
 def res_path(res_path_base):
@@ -182,8 +182,8 @@ class TestConfigMaterial:
         assert point_c.is_valid and grain_c.is_valid and \
                len(point_c['material'])+1 == len(grain_c['material'])
 
-        grain_m = Grid.load_DREAM3D(res_path/'2phase_irregularGrid.dream3d','FeatureIds').material.flatten()
+        grain_m = GeomGrid.load_DREAM3D(res_path/'2phase_irregularGrid.dream3d','FeatureIds').material.flatten()
-        point_m = Grid.load_DREAM3D(res_path/'2phase_irregularGrid.dream3d').material.flatten()
+        point_m = GeomGrid.load_DREAM3D(res_path/'2phase_irregularGrid.dream3d').material.flatten()
 
         for i in np.unique(point_m):
             j = int(grain_m[(point_m==i).nonzero()[0][0]])

python/tests/test_GeomGrid.py

@@ -5,7 +5,7 @@ import numpy as np
 from vtkmodules.vtkCommonCore import vtkVersion
 
 from damask import VTK
-from damask import Grid
+from damask import GeomGrid
 from damask import Table
 from damask import Rotation
 from damask import Colormap
@@ -19,7 +19,7 @@ def default():
     """Simple geometry."""
     g = np.array([8,5,4])
     l = np.prod(g[:2])
-    return Grid(np.concatenate((np.ones  (l,dtype=int),
+    return GeomGrid(np.concatenate((np.ones  (l,dtype=int),
                                 np.arange(l,dtype=int)+2,
                                 np.ones  (l,dtype=int)*2,
                                 np.arange(l,dtype=int)+1)).reshape(g,order='F'),
@@ -31,15 +31,15 @@ def random():
     size = (1+np.random.rand(3))*1e-5
     cells = np.random.randint(10,20,3)
     s = seeds.from_random(size,np.random.randint(5,25),cells)
-    return Grid.from_Voronoi_tessellation(cells,size,s)
+    return GeomGrid.from_Voronoi_tessellation(cells,size,s)
 
 @pytest.fixture
 def res_path(res_path_base):
     """Directory containing testing resources."""
-    return res_path_base/'Grid'
+    return res_path_base/'GeomGrid'
 
 
-class TestGrid:
+class TestGeomGrid:
 
     @pytest.fixture(autouse=True)
     def _patch_execution_stamp(self, patch_execution_stamp):
@@ -65,49 +65,49 @@ class TestGrid:
 
     def test_read_write_vti(self,default,tmp_path):
         default.save(tmp_path/'default')
-        new = Grid.load(tmp_path/'default.vti')
+        new = GeomGrid.load(tmp_path/'default.vti')
         assert new == default
 
     def test_invalid_no_material(self,tmp_path):
         v = VTK.from_image_data(np.random.randint(5,10,3)*2,np.random.random(3) + 1.0)
         v.save(tmp_path/'no_materialpoint.vti',parallel=False)
         with pytest.raises(KeyError):
-            Grid.load(tmp_path/'no_materialpoint.vti')
+            GeomGrid.load(tmp_path/'no_materialpoint.vti')
 
     def test_invalid_material_type(self):
         with pytest.raises(TypeError):
-            Grid(np.zeros((3,3,3),dtype='complex'),np.ones(3))
+            GeomGrid(np.zeros((3,3,3),dtype='complex'),np.ones(3))
 
     def test_cast_to_int(self):
-        g = Grid(np.zeros((3,3,3)),np.ones(3))
+        g = GeomGrid(np.zeros((3,3,3)),np.ones(3))
         assert g.material.dtype in np.sctypes['int']
 
     def test_invalid_size(self,default):
         with pytest.raises(ValueError):
-            Grid(default.material[1:,1:,1:],
+            GeomGrid(default.material[1:,1:,1:],
                  size=np.ones(2))
 
     def test_save_load_ASCII(self,default,tmp_path):
         default.save_ASCII(tmp_path/'ASCII')
         default.material -= 1
-        assert Grid.load_ASCII(tmp_path/'ASCII') == default
+        assert GeomGrid.load_ASCII(tmp_path/'ASCII') == default
 
     def test_invalid_origin(self,default):
         with pytest.raises(ValueError):
-            Grid(default.material[1:,1:,1:],
+            GeomGrid(default.material[1:,1:,1:],
                  size=np.ones(3),
                  origin=np.ones(4))
 
     def test_invalid_materials_shape(self,default):
         material = np.ones((3,3))
         with pytest.raises(ValueError):
-            Grid(material,
+            GeomGrid(material,
                  size=np.ones(3))
 
     def test_invalid_materials_type(self,default):
         material = np.random.randint(1,300,(3,4,5))==1
         with pytest.raises(TypeError):
-            Grid(material)
+            GeomGrid(material)
 
     @pytest.mark.parametrize('directions,reflect',[
                                                    (['x'],        False),
@@ -121,7 +121,7 @@ class TestGrid:
         tag = f'directions_{"-".join(directions)}+reflect_{reflect}'
         reference = res_path/f'mirror_{tag}.vti'
         if update: modified.save(reference)
-        assert Grid.load(reference) == modified
+        assert GeomGrid.load(reference) == modified
 
     @pytest.mark.parametrize('directions',[(1,2,'y'),('a','b','x'),[1]])
     def test_mirror_invalid(self,default,directions):
@@ -146,7 +146,7 @@ class TestGrid:
         tag = f'directions_{"-".join(directions)}'
         reference = res_path/f'flip_{tag}.vti'
         if update: modified.save(reference)
-        assert Grid.load(reference) == modified
+        assert GeomGrid.load(reference) == modified
 
     def test_flip_order_invariant(self,default):
         direction = np.array(['x','y','z'])
@@ -180,7 +180,7 @@ class TestGrid:
         reference = res_path/f'clean_{distance}_{util.srepr(selection,"+")}_{periodic}.vti'
         if update:
             current.save(reference)
-        assert Grid.load(reference) == current
+        assert GeomGrid.load(reference) == current
 
     @pytest.mark.parametrize('selection',[list(np.random.randint(1,20,6)),np.random.randint(1,20,6)])
     @pytest.mark.parametrize('invert',[True,False])
@@ -207,14 +207,14 @@ class TestGrid:
         tag = f'grid_{util.srepr(cells,"-")}'
         reference = res_path/f'scale_{tag}.vti'
         if update: modified.save(reference)
-        assert Grid.load(reference) == modified
+        assert GeomGrid.load(reference) == modified
 
     def test_renumber(self,default):
         material = default.material.copy()
         for m in np.unique(material):
             material[material==m] = material.max() + np.random.randint(1,30)
         default.material -= 1
-        modified = Grid(material,
+        modified = GeomGrid(material,
                         default.size,
                         default.origin)
         assert not default == modified
@@ -223,13 +223,13 @@ class TestGrid:
     def test_assemble(self):
         cells = np.random.randint(8,16,3)
         N = cells.prod()
-        g = Grid(np.arange(N).reshape(cells),np.ones(3))
+        g = GeomGrid(np.arange(N).reshape(cells),np.ones(3))
         idx = np.random.randint(0,N,N).reshape(cells)
         assert (idx == g.assemble(idx).material).all
 
     def test_substitute(self,default):
         offset = np.random.randint(1,500)
-        modified = Grid(default.material + offset,
+        modified = GeomGrid(default.material + offset,
                         default.size,
                         default.origin)
         assert not default == modified
@@ -250,7 +250,7 @@ class TestGrid:
 
     def test_sort(self):
         cells = np.random.randint(5,20,3)
-        m = Grid(np.random.randint(1,20,cells)*3,np.ones(3)).sort().material.flatten(order='F')
+        m = GeomGrid(np.random.randint(1,20,cells)*3,np.ones(3)).sort().material.flatten(order='F')
         for i,v in enumerate(m):
             assert i==0 or v > m[:i].max() or v in m[:i]
 
@@ -269,7 +269,7 @@ class TestGrid:
         tag = f'Eulers_{util.srepr(Eulers,"-")}'
         reference = res_path/f'rotate_{tag}.vti'
         if update: modified.save(reference)
-        assert Grid.load(reference) == modified
+        assert GeomGrid.load(reference) == modified
 
     def test_canvas_extend(self,default):
         cells = default.cells
@@ -280,7 +280,7 @@ class TestGrid:
     @pytest.mark.parametrize('sign',[+1,-1])
     @pytest.mark.parametrize('extra_offset',[0,-1])
     def test_canvas_move_out(self,sign,extra_offset):
-        g = Grid(np.zeros(np.random.randint(3,30,(3)),int),np.ones(3))
+        g = GeomGrid(np.zeros(np.random.randint(3,30,(3)),int),np.ones(3))
         o = sign*np.ones(3)*g.cells.min() +extra_offset*sign
         if extra_offset == 0:
             assert np.all(g.canvas(offset=o).material == 1)
@@ -288,7 +288,7 @@ class TestGrid:
             assert np.all(np.unique(g.canvas(offset=o).material) == (0,1))
 
     def test_canvas_cells(self,default):
-        g = Grid(np.zeros(np.random.randint(3,30,(3)),int),np.ones(3))
+        g = GeomGrid(np.zeros(np.random.randint(3,30,(3)),int),np.ones(3))
         cells = np.random.randint(1,30,(3))
         offset = np.random.randint(-30,30,(3))
         assert np.all(g.canvas(cells,offset).cells == cells)
@@ -308,8 +308,8 @@ class TestGrid:
         o = np.random.random(3)-.5
         g = np.random.randint(8,32,(3))
         s = np.random.random(3)+.5
-        G_1 = Grid(np.ones(g,'i'),s,o).add_primitive(diameter,center1,exponent)
+        G_1 = GeomGrid(np.ones(g,'i'),s,o).add_primitive(diameter,center1,exponent)
-        G_2 = Grid(np.ones(g,'i'),s,o).add_primitive(diameter,center2,exponent)
+        G_2 = GeomGrid(np.ones(g,'i'),s,o).add_primitive(diameter,center2,exponent)
         assert np.count_nonzero(G_1.material!=2) == np.count_nonzero(G_2.material!=2)
 
     @pytest.mark.parametrize('center',[np.random.randint(4,10,(3)),
@@ -323,8 +323,8 @@ class TestGrid:
         g = np.random.randint(8,32,(3))
         s = np.random.random(3)+.5
         fill = np.random.randint(10)+2
-        G_1 = Grid(np.ones(g,'i'),s).add_primitive(.3,center,1,fill,inverse=inverse,periodic=periodic)
+        G_1 = GeomGrid(np.ones(g,'i'),s).add_primitive(.3,center,1,fill,inverse=inverse,periodic=periodic)
-        G_2 = Grid(np.ones(g,'i'),s).add_primitive(.3,center,1,fill,Rotation.from_random(),inverse,periodic=periodic)
+        G_2 = GeomGrid(np.ones(g,'i'),s).add_primitive(.3,center,1,fill,Rotation.from_random(),inverse,periodic=periodic)
         assert G_1 == G_2
 
     @pytest.mark.parametrize('exponent',[1,np.inf,np.random.random(3)*2.])
@@ -332,7 +332,7 @@ class TestGrid:
         """Shapes defined in the center should always produce a grid with reflection symmetry along the coordinate axis."""
         o = np.random.random(3)-.5
         s = np.random.random(3)*5.
-        grid = Grid(np.zeros(np.random.randint(8,32,3),'i'),s,o).add_primitive(np.random.random(3)*3.,o+s/2.,exponent)
+        grid = GeomGrid(np.zeros(np.random.randint(8,32,3),'i'),s,o).add_primitive(np.random.random(3)*3.,o+s/2.,exponent)
         for axis in [0,1,2]:
             assert np.all(grid.material==np.flip(grid.material,axis=axis))
 
@@ -352,7 +352,7 @@ class TestGrid:
         if selection == 1:
             m2[m==1] = 1
 
-        grid = Grid(m,np.random.rand(3)).vicinity_offset(distance,offset,selection=selection)
+        grid = GeomGrid(m,np.random.rand(3)).vicinity_offset(distance,offset,selection=selection)
 
         assert np.all(m2==grid.material)
 
@@ -379,8 +379,8 @@ class TestGrid:
         size   = np.random.random(3) + 1.0
         N_seeds= np.random.randint(10,30)
         seeds  = np.random.rand(N_seeds,3) * np.broadcast_to(size,(N_seeds,3))
-        Voronoi  = Grid.from_Voronoi_tessellation( cells,size,seeds,                 np.arange(N_seeds)+5,periodic)
+        Voronoi  = GeomGrid.from_Voronoi_tessellation( cells,size,seeds,                 np.arange(N_seeds)+5,periodic)
-        Laguerre = Grid.from_Laguerre_tessellation(cells,size,seeds,np.ones(N_seeds),np.arange(N_seeds)+5,periodic)
+        Laguerre = GeomGrid.from_Laguerre_tessellation(cells,size,seeds,np.ones(N_seeds),np.arange(N_seeds)+5,periodic)
         assert Laguerre == Voronoi
 
     def test_Laguerre_weights(self):
@@ -391,7 +391,7 @@ class TestGrid:
         weights= np.full((N_seeds),-np.inf)
         ms     = np.random.randint(N_seeds)
         weights[ms] = np.random.random()
-        Laguerre = Grid.from_Laguerre_tessellation(cells,size,seeds,weights,periodic=np.random.random()>0.5)
+        Laguerre = GeomGrid.from_Laguerre_tessellation(cells,size,seeds,weights,periodic=np.random.random()>0.5)
         assert np.all(Laguerre.material == ms)
 
     @pytest.mark.parametrize('approach',['Laguerre','Voronoi'])
@@ -402,9 +402,9 @@ class TestGrid:
         material = np.zeros(cells)
         material[:,cells[1]//2:,:] = 1
         if   approach == 'Laguerre':
-            grid = Grid.from_Laguerre_tessellation(cells,size,seeds,np.ones(2),periodic=np.random.random()>0.5)
+            grid = GeomGrid.from_Laguerre_tessellation(cells,size,seeds,np.ones(2),periodic=np.random.random()>0.5)
         elif approach == 'Voronoi':
-            grid = Grid.from_Voronoi_tessellation(cells,size,seeds,            periodic=np.random.random()>0.5)
+            grid = GeomGrid.from_Voronoi_tessellation(cells,size,seeds,            periodic=np.random.random()>0.5)
         assert np.all(grid.material == material)
 
     @pytest.mark.parametrize('surface',['Schwarz P',
@@ -426,7 +426,7 @@ class TestGrid:
         threshold = 2*np.random.rand()-1.
         periods = np.random.randint(2)+1
         materials = np.random.randint(0,40,2)
-        grid = Grid.from_minimal_surface(cells,size,surface,threshold,periods,materials)
+        grid = GeomGrid.from_minimal_surface(cells,size,surface,threshold,periods,materials)
         assert set(grid.material.flatten()) | set(materials) == set(materials) \
                and (grid.size == size).all() and (grid.cells == cells).all()
 
@@ -445,7 +445,7 @@ class TestGrid:
                                         ])
     def test_minimal_surface_volume(self,surface,threshold):
         cells = np.ones(3,dtype=int)*64
-        grid = Grid.from_minimal_surface(cells,np.ones(3),surface,threshold)
+        grid = GeomGrid.from_minimal_surface(cells,np.ones(3),surface,threshold)
         assert np.isclose(np.count_nonzero(grid.material==1)/np.prod(grid.cells),.5,rtol=1e-3)
 
     def test_from_table(self):
@@ -456,23 +456,23 @@ class TestGrid:
         z[cells[:2].prod()*int(cells[2]/2):] = 0
         t = Table({'coords':3,'z':1},np.column_stack((coords,z)))
         t = t.set('indicator',t.get('coords')[:,0])
-        g = Grid.from_table(t,'coords',['indicator','z'])
+        g = GeomGrid.from_table(t,'coords',['indicator','z'])
         assert g.N_materials == g.cells[0]*2 and (g.material[:,:,-1]-g.material[:,:,0] == cells[0]).all()
 
     def test_from_table_recover(self,tmp_path):
         cells = np.random.randint(60,100,3)
         size = np.ones(3)+np.random.rand(3)
         s = seeds.from_random(size,np.random.randint(60,100))
-        grid = Grid.from_Voronoi_tessellation(cells,size,s)
+        grid = GeomGrid.from_Voronoi_tessellation(cells,size,s)
         coords = grid_filters.coordinates0_point(cells,size)
         t = Table({'c':3,'m':1},np.column_stack((coords.reshape(-1,3,order='F'),grid.material.flatten(order='F'))))
-        assert grid.sort().renumber() == Grid.from_table(t,'c',['m'])
+        assert grid.sort().renumber() == GeomGrid.from_table(t,'c',['m'])
 
     @pytest.mark.parametrize('periodic',[True,False])
     @pytest.mark.parametrize('direction',['x','y','z',['x','y'],'zy','xz',['x','y','z']])
     @pytest.mark.xfail(vtkVersion.GetVTKMajorVersion()<8, reason='missing METADATA')
     def test_get_grain_boundaries(self,update,res_path,periodic,direction):
-        grid = Grid.load(res_path/'get_grain_boundaries_8g12x15x20.vti')
+        grid = GeomGrid.load(res_path/'get_grain_boundaries_8g12x15x20.vti')
         current = grid.get_grain_boundaries(periodic,direction)
         if update:
             current.save(res_path/f'get_grain_boundaries_8g12x15x20_{direction}_{periodic}.vtu',parallel=False)
@@ -485,24 +485,24 @@ class TestGrid:
             default.get_grain_boundaries(directions=directions)
 
     def test_load_DREAM3D(self,res_path):
-        grain = Grid.load_DREAM3D(res_path/'2phase_irregularGrid.dream3d','FeatureIds')
+        grain = GeomGrid.load_DREAM3D(res_path/'2phase_irregularGrid.dream3d','FeatureIds')
-        point = Grid.load_DREAM3D(res_path/'2phase_irregularGrid.dream3d')
+        point = GeomGrid.load_DREAM3D(res_path/'2phase_irregularGrid.dream3d')
 
         assert np.allclose(grain.origin,point.origin) and \
                np.allclose(grain.size,point.size) and \
                (grain.sort().material == point.material+1).all()
 
     def test_load_DREAM3D_reference(self,res_path,update):
-        current   = Grid.load_DREAM3D(res_path/'measured.dream3d')
+        current   = GeomGrid.load_DREAM3D(res_path/'measured.dream3d')
-        reference = Grid.load(res_path/'measured.vti')
+        reference = GeomGrid.load(res_path/'measured.vti')
         if update:
             current.save(res_path/'measured.vti')
 
         assert current == reference
 
     def test_load_Neper_reference(self,res_path,update):
-        current   = Grid.load_Neper(res_path/'n10-id1_scaled.vtk').renumber()
+        current   = GeomGrid.load_Neper(res_path/'n10-id1_scaled.vtk').renumber()
-        reference = Grid.load(res_path/'n10-id1_scaled.vti')
+        reference = GeomGrid.load(res_path/'n10-id1_scaled.vti')
         if update:
             current.save(res_path/'n10-id1_scaled.vti')
 

python/tests/test_grid_filters.py

@@ -3,8 +3,8 @@ import numpy as np
 
 from damask import grid_filters
 from damask import mechanics
-from damask import Grid
 from damask import seeds
+from damask import GeomGrid
 
 class TestGridFilters:
 
@@ -205,7 +205,7 @@ class TestGridFilters:
     def test_regrid_double_cells(self):
          size = np.random.random(3)                                                                 # noqa
          cells = np.random.randint(8,32,(3))
-         g = Grid.from_Voronoi_tessellation(cells,size,seeds.from_random(size,10))
+         g = GeomGrid.from_Voronoi_tessellation(cells,size,seeds.from_random(size,10))
          F = np.broadcast_to(np.eye(3), (*cells,3,3))
          assert g.scale(cells*2) == g.assemble(grid_filters.regrid(size,F,cells*2))
 

python/tests/test_seeds.py

@@ -4,7 +4,7 @@ from scipy.spatial import cKDTree
 
 from damask import seeds
 from damask import grid_filters
-from damask import Grid
+from damask import GeomGrid
 
 class TestSeeds:
 
@@ -40,9 +40,9 @@ class TestSeeds:
         N_seeds = np.random.randint(30,300)
         size = np.ones(3) + np.random.random(3)
         coords = seeds.from_random(size,N_seeds,cells)
-        grid_1 = Grid.from_Voronoi_tessellation(cells,size,coords)
+        grid_1 = GeomGrid.from_Voronoi_tessellation(cells,size,coords)
         coords,material = seeds.from_grid(grid_1)
-        grid_2 = Grid.from_Voronoi_tessellation(cells,size,coords,material)
+        grid_2 = GeomGrid.from_Voronoi_tessellation(cells,size,coords,material)
         assert (grid_2.material==grid_1.material).all()
 
     @pytest.mark.parametrize('periodic',[True,False])
@@ -52,9 +52,9 @@ class TestSeeds:
         size  = np.ones(3) + np.random.random(3)
         coords = grid_filters.coordinates0_point(cells,size).reshape(-1,3)
         np.random.shuffle(coords)
-        grid_1 = Grid.from_Voronoi_tessellation(cells,size,coords)
+        grid_1 = GeomGrid.from_Voronoi_tessellation(cells,size,coords)
         coords,material = seeds.from_grid(grid_1,average=average,periodic=periodic)
-        grid_2 = Grid.from_Voronoi_tessellation(cells,size,coords,material)
+        grid_2 = GeomGrid.from_Voronoi_tessellation(cells,size,coords,material)
         assert (grid_2.material==grid_1.material).all()
 
     @pytest.mark.parametrize('periodic',[True,False])
@@ -65,7 +65,7 @@ class TestSeeds:
         N_seeds = np.random.randint(30,300)
         size = np.ones(3) + np.random.random(3)
         coords = seeds.from_random(size,N_seeds,cells)
-        grid = Grid.from_Voronoi_tessellation(cells,size,coords)
+        grid = GeomGrid.from_Voronoi_tessellation(cells,size,coords)
         selection=np.random.randint(N_seeds)+1
         coords,material = seeds.from_grid(grid,average=average,periodic=periodic,invert_selection=invert,selection=[selection])
         assert selection not in material if invert else (selection==material).all()