Additional tests for evec_load

tests/test_cij_misc_evec_load.py

@@ -22,3 +22,26 @@ def test_evec_load_basic(fname, nq, nbnd):
         assert len(modes) == nbnd
         for (mode_id, thz, cm_1), vec in modes:
             assert len(vec) == nbnd
+
+
+@pytest.mark.parametrize("key, fname", [(k, Path(__file__).parent / "data" / f) for k, f in test_files.items()])
+@pytest.mark.parametrize("nq, nbnd", [(2, 60)])
+def test_evec_load_normality(key, fname, nq, nbnd):
+    evecs = evec_load(fname, nq, nbnd)
+    for q_coord, modes in evecs:
+        eigs = numpy.array([modes[ibnd][1] for ibnd in range(nbnd)])
+        A = numpy.abs(numpy.conj(eigs) @ eigs.T)
+        assert numpy.allclose(numpy.diag(A), 1)
+
+
+@pytest.mark.parametrize("key, fname", [(k, Path(__file__).parent / "data" / f) for k, f in test_files.items()])
+@pytest.mark.parametrize("nq, nbnd", [(2, 60)])
+def test_evec_load_orthogonal(key, fname, nq, nbnd):
+    evecs = evec_load(fname, nq, nbnd)
+    for q_coord, modes in evecs:
+        eigs = numpy.array([modes[ibnd][1] for ibnd in range(nbnd)])
+        A = numpy.abs(numpy.conj(eigs) @ eigs.T)
+        if key == "eig":
+            assert numpy.allclose(numpy.max(A - numpy.eye(nbnd)), 0, atol=1e-4)
+        elif key == "vec":
+            assert not numpy.allclose(numpy.max(A - numpy.eye(nbnd)), 0, atol=1e-4)