r22502 - /trunk/test_suite/system_tests/relax_disp.py -- March 18, 2014 - 16:47

Author: tlinnet
Date: Tue Mar 18 16:47:56 2014
New Revision: 22502

URL: http://svn.gna.org/viewcvs/relax?rev=22502&view=rev
Log:
Small change to systemtest Relax_disp.test_r1rho_kjaergaard.

The outcome of kex from systemtest is in the area of 4-5000. The expected 
value is 13000.
A deeer analysis of the input is needed, to judge what is the correct value.

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=22502&r1=22501&r2=22502&view=diff
==============================================================================
--- trunk/test_suite/system_tests/relax_disp.py (original)
+++ trunk/test_suite/system_tests/relax_disp.py Tue Mar 18 16:47:56 2014
@@ -2838,11 +2838,30 @@
         OPT_MAX_ITERATIONS = 1000
         relax_disp.Relax_disp.opt_max_iterations = OPT_MAX_ITERATIONS
 
-        analysis_mode = "man"
+        analysis_mode = "auto"
 
         if analysis_mode == "auto":
+            # Make all spins free
+            for curspin in cluster_ids:
+                self.interpreter.relax_disp.cluster('free spins', curspin)
+                # Shut them down
+                self.interpreter.deselect.spin(spin_id=curspin, 
change_all=False)
+                
+            # Select only a subset of spins for global fitting
+            #self.interpreter.select.spin(spin_id=':41@N', change_all=False)
+            #self.interpreter.relax_disp.cluster('model_cluster', ':41@N')
+
+            #self.interpreter.select.spin(spin_id=':40@N', change_all=False)
+            #self.interpreter.relax_disp.cluster('model_cluster', ':40@N')
+
+            self.interpreter.select.spin(spin_id=':52@N', change_all=False)
+            #self.interpreter.relax_disp.cluster('model_cluster', ':52@N')
+
             # Run the analysis.
             relax_disp.Relax_disp(pipe_name=pipe_name, 
pipe_bundle=pipe_bundle, results_dir=ds.tmpdir, models=MODELS, 
grid_inc=GRID_INC, mc_sim_num=MC_NUM, modsel=MODSEL)
+
+            # Check the kex value of residue 52
+            #self.assertAlmostEqual(cdp.mol[0].res[41].spin[0].kex, 
ref[':52@N'][6])
 
         ###########
         elif analysis_mode == "man":