Merge remote-tracking branch 'origin/misc-improvements' into h5py3

PRIVATE

@@ -1 +1 @@
-Subproject commit 52e51c6a69dec5046eef3e369484256b655acbd9
+Subproject commit 92b7b1314a9c576a20f073a230e2aaf811cb932a

python/damask/_configmaterial.py

@@ -24,6 +24,20 @@ class ConfigMaterial(Config):
         super().save(fname,**kwargs)
 
 
+    @classmethod
+    def load(cls,fname='material.yaml'):
+        """
+        Load from yaml file.
+
+        Parameters
+        ----------
+        fname : file, str, or pathlib.Path, optional
+            Filename or file for writing. Defaults to 'material.yaml'.
+
+        """
+        return super(ConfigMaterial,cls).load(fname)
+
+
     @staticmethod
     def from_table(table,constituents={},**kwargs):
         """

python/damask/_result.py

@@ -94,7 +94,7 @@ class Result:
 
 
     def __repr__(self):
-        """Show selected data."""
+        """Show summary of file content."""
         all_selected_increments = self.selection['increments']
 
         self.pick('increments',all_selected_increments[0:1])
@@ -796,20 +796,26 @@ class Result:
 
 
     @staticmethod
-    def _add_Mises(T_sym):
-        t = 'strain' if T_sym['meta']['Unit'] == '1' else \
-            'stress'
+    def _add_Mises(T_sym,kind):
+        k = kind
+        if k is None:
+            if T_sym['meta']['Unit'] == '1':
+                k = 'strain'
+            elif T_sym['meta']['Unit'] == 'Pa':
+                k = 'stress'
+        if k not in ['stress', 'strain']:
+            raise ValueError('invalid von Mises kind {kind}')
 
         return {
-                'data':  (mechanics.Mises_strain if t=='strain' else mechanics.Mises_stress)(T_sym['data']),
+                'data':  (mechanics.Mises_strain if k=='strain' else mechanics.Mises_stress)(T_sym['data']),
                 'label': f"{T_sym['label']}_vM",
                 'meta':  {
                           'Unit':        T_sym['meta']['Unit'],
-                          'Description': f"Mises equivalent {t} of {T_sym['label']} ({T_sym['meta']['Description']})",
+                          'Description': f"Mises equivalent {k} of {T_sym['label']} ({T_sym['meta']['Description']})",
                           'Creator':     'add_Mises'
                           }
                 }
-    def add_Mises(self,T_sym):
+    def add_Mises(self,T_sym,kind=None):
         """
         Add the equivalent Mises stress or strain of a symmetric tensor.
 
@@ -817,9 +823,12 @@ class Result:
         ----------
         T_sym : str
             Label of symmetric tensorial stress or strain dataset.
+        kind : {'stress', 'strain', None}, optional
+            Kind of the von Mises equivalent. Defaults to None, in which case
+            it is selected based on the unit of the dataset ('1' -> strain, 'Pa' -> stress').
 
         """
-        self._add_generic_pointwise(self._add_Mises,{'T_sym':T_sym})
+        self._add_generic_pointwise(self._add_Mises,{'T_sym':T_sym},{'kind':kind})
 
 
     @staticmethod

python/damask/_vtk.py

@@ -197,11 +197,10 @@ class VTK:
         elif isinstance(self.vtk_data,vtk.vtkPolyData):
             writer = vtk.vtkXMLPolyDataWriter()
 
-        default_ext = writer.GetDefaultFileExtension()
+        default_ext = '.'+writer.GetDefaultFileExtension()
         ext = Path(fname).suffix
-        if ext and ext != '.'+default_ext:
-            raise ValueError(f'Given extension "{ext}" does not match default ".{default_ext}"')
-        writer.SetFileName(str(Path(fname).with_suffix('.'+default_ext)))
+        writer.SetFileName(str(fname)+(default_ext if default_ext != ext else ''))
+
         if compress:
             writer.SetCompressorTypeToZLib()
         else:

python/tests/test_Result.py

@@ -209,6 +209,22 @@ class TestResult:
         in_memory = mechanics.Mises_stress(default.read_dataset(loc['sigma'],0)).reshape(-1,1)
         in_file   = default.read_dataset(loc['sigma_vM'],0)
         assert np.allclose(in_memory,in_file)
+    
+    def test_add_Mises_invalid(self,default):
+        default.add_Cauchy('P','F')
+        default.add_calculation('sigma_y','#sigma#',unit='y')
+        default.add_Mises('sigma_y')
+        assert default.get_dataset_location('sigma_y_vM') == []
+
+    def test_add_Mises_stress_strain(self,default):
+        default.add_Cauchy('P','F')
+        default.add_calculation('sigma_y','#sigma#',unit='y')
+        default.add_calculation('sigma_x','#sigma#',unit='x')
+        default.add_Mises('sigma_y',kind='strain')
+        default.add_Mises('sigma_x',kind='stress')
+        loc = {'y' :default.get_dataset_location('sigma_y_vM'),
+               'x' :default.get_dataset_location('sigma_x_vM')}
+        assert not np.allclose(default.read_dataset(loc['y'],0),default.read_dataset(loc['x'],0))
 
     def test_add_norm(self,default):
         default.add_norm('F',1)

python/tests/test_VTK.py

@@ -85,6 +85,12 @@ class TestVTK:
         assert(False)
 
 
+    @pytest.mark.parametrize('fname',['a','a.vtp','a.b','a.b.vtp'])
+    def test_filename_variations(self,tmp_path,fname):
+        points = np.random.rand(102,3)
+        v = VTK.from_poly_data(points)
+        v.save(tmp_path/fname)
+
     @pytest.mark.parametrize('name,dataset_type',[('this_file_does_not_exist.vtk', None),
                                                   ('this_file_does_not_exist.vtk','vtk'),
                                                   ('this_file_does_not_exist.vtx', None)])
@@ -92,9 +98,10 @@ class TestVTK:
         with pytest.raises(TypeError):
             VTK.load(name,dataset_type)
 
-    def test_invalid_extension_write(self,default):
-        with pytest.raises(ValueError):
-            default.save('default.txt')
+    def test_add_extension(self,tmp_path,default):
+        default.save(tmp_path/'default.txt',parallel=False)
+        assert os.path.isfile(tmp_path/'default.txt.vtr')
+
 
     def test_invalid_get(self,default):
         with pytest.raises(ValueError):

src/homogenization.f90

@@ -529,7 +529,7 @@ subroutine homogenization_results
     material_homogenization_type => homogenization_type
 
   integer :: p
-  character(len=pStringLen) :: group_base,group
+  character(len=:), allocatable :: group_base,group
 
   !real(pReal), dimension(:,:,:), allocatable :: temp