r11059 - /1.3/test_suite/system_tests/diffusion_tensor.py -- March 29, 2010 - 17:44

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])