r22566 - in /trunk/test_suite/system_tests: relax_disp.py scripts/relax_disp/r1rho_on_res_m61.py -- March 27, 2014 - 16:49

Author: bugman
Date: Thu Mar 27 16:49:30 2014
New Revision: 22566

URL: http://svn.gna.org/viewcvs/relax?rev=22566&view=rev
Log:
Modifications to the Relax_disp.test_m61_exp_data_to_m61 system test.

This is to fix bug #21869 (https://gna.org/bugs/?21869), the failure of this 
system test.

The number of Monte Carlo simulation for the 'R2eff' model has been increased 
from 3 to 25 using the
new exp_mc_sim_num argument to the dispersion auto-analysis.  To keep the 
test fast, only a single
spin is optimised.


Modified:
    trunk/test_suite/system_tests/relax_disp.py
    trunk/test_suite/system_tests/scripts/relax_disp/r1rho_on_res_m61.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=22566&r1=22565&r2=22566&view=diff
==============================================================================
--- trunk/test_suite/system_tests/relax_disp.py (original)
+++ trunk/test_suite/system_tests/relax_disp.py Thu Mar 27 16:49:30 2014
@@ -2421,6 +2421,9 @@
         # Fixed time variable.
         ds.fixed = False
 
+        # Single spin optimisation.
+        ds.single = True
+
         # Execute the script.
         self.interpreter.run(script_file=status.install_path + 
sep+'test_suite'+sep+'system_tests'+sep+'scripts'+sep+'relax_disp'+sep+'r1rho_on_res_m61.py')
 

Modified: trunk/test_suite/system_tests/scripts/relax_disp/r1rho_on_res_m61.py
URL: 
http://svn.gna.org/viewcvs/relax/trunk/test_suite/system_tests/scripts/relax_disp/r1rho_on_res_m61.py?rev=22566&r1=22565&r2=22566&view=diff
==============================================================================
--- trunk/test_suite/system_tests/scripts/relax_disp/r1rho_on_res_m61.py      
  (original)
+++ trunk/test_suite/system_tests/scripts/relax_disp/r1rho_on_res_m61.py      
  Thu Mar 27 16:49:30 2014
@@ -22,6 +22,9 @@
 # The number of Monte Carlo simulations to be used for error analysis at the 
end of the analysis.
 MC_NUM = 3
 
+# The number of MC sims for the exponential curves of the 'R2eff' model.
+EXP_MC_NUM = 25
+
 # Fixed relaxation time period flag.
 if not hasattr(ds, 'fixed'):
     ds.fixed = True
@@ -44,7 +47,8 @@
 
 # Create the sequence data.
 spin.create(res_name='Trp', res_num=1, spin_name='N')
-spin.create(res_name='Trp', res_num=2, spin_name='N')
+if not hasattr(ds, 'single') or not ds.single:
+    spin.create(res_name='Trp', res_num=2, spin_name='N')
 
 # Set the isotope information.
 spin.isotope(isotope='15N')
@@ -113,7 +117,7 @@
 Relax_disp.opt_max_iterations = 10000
 
 # Do not change!
-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)
+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, 
exp_mc_sim_num=EXP_MC_NUM)
 
 # Save the program state.
 state.save('devnull', force=True)