Author: bugman Date: Mon Mar 29 17:44:32 2010 New Revision: 11059 URL: http://svn.gna.org/viewcvs/relax?rev=11059&view=rev Log: The ellipsoidal diff tensor check in check_ellipsoid() now functions better. The diffusion elements are scaled down to the order of 1 so that the assertAlmostEqual() calls do not fail with tiny machine precision differences. Modified: 1.3/test_suite/system_tests/diffusion_tensor.py Modified: 1.3/test_suite/system_tests/diffusion_tensor.py URL: http://svn.gna.org/viewcvs/relax/1.3/test_suite/system_tests/diffusion_tensor.py?rev=11059&r1=11058&r2=11059&view=diff ============================================================================== --- 1.3/test_suite/system_tests/diffusion_tensor.py (original) +++ 1.3/test_suite/system_tests/diffusion_tensor.py Mon Mar 29 17:44:32 2010 @@ -168,12 +168,12 @@ print("\nThe tensor in relax (in eig frame):\n%s" % cdp.diff_tensor.tensor_diag) # Check the Euler angles. - self.assertAlmostEqual(Dx, cdp.diff_tensor.Dx) - self.assertAlmostEqual(Dy, cdp.diff_tensor.Dy) - self.assertAlmostEqual(Dz, cdp.diff_tensor.Dz) - self.assertAlmostEqual(Diso, cdp.diff_tensor.Diso) - self.assertAlmostEqual(Da, cdp.diff_tensor.Da) - self.assertAlmostEqual(Dr, cdp.diff_tensor.Dr) + self.assertAlmostEqual(Dx * 1e-7, cdp.diff_tensor.Dx * 1e-7) + self.assertAlmostEqual(Dy * 1e-7, cdp.diff_tensor.Dy * 1e-7) + self.assertAlmostEqual(Dz * 1e-7, cdp.diff_tensor.Dz * 1e-7) + self.assertAlmostEqual(Diso * 1e-7, cdp.diff_tensor.Diso * 1e-7) + self.assertAlmostEqual(Da * 1e-7, cdp.diff_tensor.Da * 1e-7) + self.assertAlmostEqual(Dr * 1e-7, cdp.diff_tensor.Dr * 1e-7) self.assertAlmostEqual(alpha, cdp.diff_tensor.alpha) self.assertAlmostEqual(beta, cdp.diff_tensor.beta) self.assertAlmostEqual(gamma, cdp.diff_tensor.gamma) @@ -181,8 +181,8 @@ # Check the elements. for i in range(3): for j in range(3): - self.assertAlmostEqual(cdp.diff_tensor.tensor[i, j], D[i, j]) - self.assertAlmostEqual(cdp.diff_tensor.tensor_diag[i, j], D_prime[i, j]) + self.assertAlmostEqual(cdp.diff_tensor.tensor[i, j] * 1e-7, D[i, j] * 1e-7) + self.assertAlmostEqual(cdp.diff_tensor.tensor_diag[i, j] * 1e-7, D_prime[i, j] * 1e-7) self.assertAlmostEqual(cdp.diff_tensor.rotation[i, j], R[i, j])