r27161 - /trunk/test_suite/system_tests/relax_disp.py -- January 14, 2015 - 14:55

Author: tlinnet
Date: Wed Jan 14 14:55:37 2015
New Revision: 27161

URL: http://svn.gna.org/viewcvs/relax?rev=27161&view=rev
Log:
Added additional test for r2a parameter.

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=27161&r1=27160&r2=27161&view=diff
==============================================================================
--- trunk/test_suite/system_tests/relax_disp.py (original)
+++ trunk/test_suite/system_tests/relax_disp.py Wed Jan 14 14:55:37 2015
@@ -1461,6 +1461,31 @@
         state = status.install_path + 
sep+'test_suite'+sep+'shared_data'+sep+'dispersion'+sep+'bug_23186.bz2'
         self.interpreter.state.load(state, force=True)
 
+        # Dic key to spectrometer frq.
+        dickey = 'SQ CPMG - 599.89086220 MHz'
+
+        # First get the resi 0 array of sim r2a.
+        resi_0_r2a = []
+
+        # Loop over the dics in spin.
+        for cdic in cdp.mol[0].res[0].spin[0].r2a_sim:
+            resi_0_r2a.append(cdic[dickey])
+
+        # Get stats with numpy
+        resi_0_r2a_std = std(asarray(resi_0_r2a), ddof=1)
+
+        # First get the resi 86 array of sim r2a.
+        resi_86_r2a = []
+
+        # Loop over the dics in spin.
+        for cdic in cdp.mol[0].res[1].spin[0].r2a_sim:
+            resi_86_r2a.append(cdic[dickey])
+
+        # Get stats with numpy
+        resi_86_r2a_std = std(asarray(resi_86_r2a), ddof=1)
+
+        # Then get for dw.
+
         # First get the array of sim dw.
         resi_0_dw = cdp.mol[0].res[0].spin[0].dw_sim
         resi_86_dw = cdp.mol[0].res[1].spin[0].dw_sim
@@ -1472,7 +1497,11 @@
         # Perform error analysis.
         self.interpreter.monte_carlo.error_analysis()
 
-        # Check values.
+        # Check values for r2a.
+        self.assertEqual(resi_0_r2a_std, 
cdp.mol[0].res[0].spin[0].r2a_err[dickey])
+        self.assertEqual(resi_86_r2a_std, 
cdp.mol[0].res[1].spin[0].r2a_err[dickey])
+
+        # Check values for dw.
         self.assertEqual(resi_0_dw_std, cdp.mol[0].res[0].spin[0].dw_err)
         self.assertEqual(resi_86_dw_std, cdp.mol[0].res[1].spin[0].dw_err)