r27163 - /trunk/test_suite/system_tests/relax_disp.py -- January 14, 2015 - 15:25

Author: tlinnet
Date: Wed Jan 14 15:25:07 2015
New Revision: 27163

URL: http://svn.gna.org/viewcvs/relax?rev=27163&view=rev
Log:
Added test for spin independet error of k_AB.

Bug #23186 (https://gna.org/bugs/index.php?23186): Error calculation of 
individual parameter "dw" from Monte-Carlo, is based on first spin.

Modified:
    trunk/test_suite/system_tests/relax_disp.py

Modified: trunk/test_suite/system_tests/relax_disp.py
URL: 
http://svn.gna.org/viewcvs/relax/trunk/test_suite/system_tests/relax_disp.py?rev=27163&r1=27162&r2=27163&view=diff
==============================================================================
--- trunk/test_suite/system_tests/relax_disp.py (original)
+++ trunk/test_suite/system_tests/relax_disp.py Wed Jan 14 15:25:07 2015
@@ -1494,8 +1494,25 @@
         resi_0_dw_std = std(asarray(resi_0_dw), ddof=1)
         resi_86_dw_std = std(asarray(resi_86_dw), ddof=1)
 
+        # Then get for spin independent parameter.
+
+        # First get the array of sim dw.
+        resi_0_kAB = cdp.mol[0].res[0].spin[0].k_AB_sim
+        resi_86_kAB = cdp.mol[0].res[1].spin[0].k_AB_sim
+
+        # Get stats with numpy
+        resi_0_kAB_std = std(asarray(resi_0_kAB), ddof=1)
+        resi_86_kAB_std = std(asarray(resi_0_kAB), ddof=1)
+
+        # Assume they both std of k_AB values are equal
+        self.assertEqual(resi_0_kAB_std, resi_86_kAB_std)
+
         # Perform error analysis.
         self.interpreter.monte_carlo.error_analysis()
+
+        # Check values for k_AB.
+        self.assertEqual(resi_0_kAB_std, cdp.mol[0].res[0].spin[0].k_AB_err)
+        self.assertEqual(resi_86_kAB_std, cdp.mol[0].res[1].spin[0].k_AB_err)
 
         # Check values for r2a.
         self.assertEqual(resi_0_r2a_std, 
cdp.mol[0].res[0].spin[0].r2a_err[dickey])