first idea how to test pointwise operations

python/tests/test_DADF5.py

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+import shutil
+import os
+
+import pytest
+import numpy as np
+
+from damask import DADF5
+from damask import mechanics
+
+@pytest.fixture
+def default(tmp_path,reference_dir):
+    """Small DADF5 file for testing."""
+    fname = '12grains6x7x8_tensionY.hdf5'
+    shutil.copy(os.path.join(reference_dir,fname),tmp_path)
+    f = DADF5(os.path.join(tmp_path,fname))
+    f.set_by_time(20.0,20.0)
+    return f
+
+@pytest.fixture
+def reference_dir(reference_dir_base):
+    """directory containing reference results."""
+    return os.path.join(reference_dir_base,'DADF5')
+
+
+class TestDADF5:
+    
+    def test_add_deviator(self,default):
+        default.add_deviator('P')
+        loc = {'P'  :default.get_dataset_location('P'),
+               's_P':default.get_dataset_location('s_P')}
+        in_memory = mechanics.deviatoric_part(default.read_dataset(loc['P'],0))
+        in_file   = default.read_dataset(loc['s_P'],0)
+        assert np.allclose(in_memory,in_file)
+
+    def test_add_Cauchy(self,default):
+        default.add_Cauchy('P','F')
+        loc = {'F':    default.get_dataset_location('F'),
+               'P':    default.get_dataset_location('P'),
+               'sigma':default.get_dataset_location('sigma')}
+        in_memory = mechanics.Cauchy(default.read_dataset(loc['F'],0),
+                                     default.read_dataset(loc['P'],0))
+        in_file   = default.read_dataset(loc['sigma'],0)
+        assert np.allclose(in_memory,in_file)
+
+    def test_add_absolute(self,default):
+        default.add_absolute('Fe')
+        loc = {'Fe':   default.get_dataset_location('Fe'),
+               '|Fe|': default.get_dataset_location('|Fe|')}
+        in_memory = np.abs(default.read_dataset(loc['Fe'],0))
+        in_file   = default.read_dataset(loc['|Fe|'],0)
+        assert np.allclose(in_memory,in_file)
+
+    def test_add_determinant(self,default):
+        default.add_determinant('Lp')
+        loc = {'Lp':      default.get_dataset_location('Lp'),
+               'det(Lp)': default.get_dataset_location('det(Lp)')}
+        in_memory = np.linalg.det(default.read_dataset(loc['Lp'],0))
+        in_file   = default.read_dataset(loc['det(Lp)'],0)
+        assert np.allclose(in_memory,in_file)
+
+    def test_add_spherical(self,default):
+        default.add_spherical('P')
+        loc = {'P':   default.get_dataset_location('P'),
+               'p_P': default.get_dataset_location('p_P')}
+        in_memory = mechanics.spherical_part(default.read_dataset(loc['P'],0))
+        in_file   = default.read_dataset(loc['p_P'],0)
+        assert np.allclose(in_memory,in_file)