Add some basic testing for the Material class

tests/test_material.py

@@ -0,0 +1,83 @@
+import h5py
+import pytest
+
+from hexrd.material import Material, load_materials_hdf5
+
+# Tolerance for comparing floats
+FLOAT_TOL = 1.e-8
+
+# Use consistent units to simplify testing
+DEFAULT_LENGTH_UNIT = 'angstrom'
+DEFAULT_ANGLE_UNIT = 'degrees'
+
+
+@pytest.fixture
+def default_material():
+    return Material()
+
+
+@pytest.fixture
+def test_materials_file(example_repo_path):
+    return example_repo_path / 'NIST_ruby/single_GE/include/materials.h5'
+
+
+def normalize_unit(v):
+    if hasattr(v, 'unit'):
+        # Assume it's a val unit
+        if v.unit in ('radians', 'degrees'):
+            # Assume it's an angle
+            return v.getVal(DEFAULT_ANGLE_UNIT)
+        else:
+            # Assume it's a length
+            return v.getVal(DEFAULT_LENGTH_UNIT)
+
+    return v
+
+
+def are_close(v1, v2, tol=FLOAT_TOL):
+    return abs(normalize_unit(v1) - normalize_unit(v2)) < tol
+
+
+def lparms_are_close(lparms, indices, tol=FLOAT_TOL):
+    first = lparms[indices[0]]
+    return all(are_close(first, lparms[i], tol) for i in indices[1:])
+
+
+def test_sgnum_setter(default_material):
+    # Just in case we change the default...
+    default_material.sgnum = 225
+
+    # Should have a == b == c and alpha == beta == gamma == 90
+    lparms = default_material.latticeParameters
+    assert lparms_are_close(lparms, [0, 1, 2])
+    assert lparms_are_close(lparms, [3, 4, 5])
+    assert are_close(lparms[5], 90)
+
+    default_material.sgnum = 165
+    lparms = default_material.latticeParameters
+
+    # Gamma should be 120, the other angles should be 90
+    assert not lparms_are_close(lparms, [3, 4, 5])
+    assert lparms_are_close(lparms, [3, 4])
+    assert are_close(lparms[3], 90)
+    assert are_close(lparms[5], 120)
+
+
+def test_load_materials(test_materials_file):
+    materials = load_materials_hdf5(test_materials_file)
+
+    with h5py.File(test_materials_file, 'r') as f:
+        # Check that it loaded all of the materials
+        mat_names = list(f.keys())
+        assert all(x in materials for x in mat_names)
+
+        # Check that the values for ruby match
+        ruby = materials['ruby']
+        params = f['ruby']['LatticeParameters'][()]
+
+        # Convert to angstroms...
+        for i in range(3):
+            params[i] *= 10
+
+        for i in range(6):
+            assert are_close(params[i], ruby.latticeParameters[i])