r27234 - in /branches/frame_order_cleanup: ./ test_suite/system_tests/relax_disp.py -- January 20, 2015 - 14:02

Author: bugman
Date: Tue Jan 20 14:02:42 2015
New Revision: 27234

URL: http://svn.gna.org/viewcvs/relax?rev=27234&view=rev
Log:
Merged revisions 27163 via svnmerge from 
svn+ssh://bugman@xxxxxxxxxxx/svn/relax/trunk

........
  r27163 | tlinnet | 2015-01-14 15:25:07 +0100 (Wed, 14 Jan 2015) | 3 lines
  
  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:
    branches/frame_order_cleanup/   (props changed)
    branches/frame_order_cleanup/test_suite/system_tests/relax_disp.py

Propchange: branches/frame_order_cleanup/
------------------------------------------------------------------------------
--- svnmerge-integrated (original)
+++ svnmerge-integrated Tue Jan 20 14:02:42 2015
@@ -1 +1 @@
-/trunk:1-27116,27119-27162
+/trunk:1-27116,27119-27163

Modified: branches/frame_order_cleanup/test_suite/system_tests/relax_disp.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/frame_order_cleanup/test_suite/system_tests/relax_disp.py?rev=27234&r1=27233&r2=27234&view=diff
==============================================================================
--- branches/frame_order_cleanup/test_suite/system_tests/relax_disp.py  
(original)
+++ branches/frame_order_cleanup/test_suite/system_tests/relax_disp.py  Tue 
Jan 20 14:02:42 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])