r20435 - in /branches/relax_disp/test_suite/system_tests: relax_disp.py scripts/relax_disp/r2eff_calc.py -- July 20, 2013 - 17:12

Author: bugman
Date: Sat Jul 20 17:12:50 2013
New Revision: 20435

URL: http://svn.gna.org/viewcvs/relax?rev=20435&view=rev
Log:
Created the Relax_disp.test_r2eff_fit_fixed_time system test to show a 
failure in the auto-analysis.

This shows a failure of the R2eff fitting in the dispersion auto-analysis due 
to Monte Carlo
simulations being run when the calc() function should be called.


Added:
    
branches/relax_disp/test_suite/system_tests/scripts/relax_disp/r2eff_calc.py
      - copied, changed from r20434, 
branches/relax_disp/test_suite/shared_data/dispersion/lm63_3site/r2eff_calc.py
Modified:
    branches/relax_disp/test_suite/system_tests/relax_disp.py

Modified: branches/relax_disp/test_suite/system_tests/relax_disp.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/relax_disp/test_suite/system_tests/relax_disp.py?rev=20435&r1=20434&r2=20435&view=diff
==============================================================================
--- branches/relax_disp/test_suite/system_tests/relax_disp.py (original)
+++ branches/relax_disp/test_suite/system_tests/relax_disp.py Sat Jul 20 
17:12:50 2013
@@ -826,6 +826,13 @@
         self.assertEqual(cdp.clustering['cluster'], [':1@N', ':3@N'])
 
 
+    def test_r2eff_fit_fixed_time(self):
+        """Test the relaxation dispersion 'R2eff' model for fixed time data 
in the auto-analysis."""
+
+        # Execute the script.
+        self.interpreter.run(script_file=status.install_path + 
sep+'test_suite'+sep+'system_tests'+sep+'scripts'+sep+'relax_disp'+sep+'r2eff_calc.py')
+
+
     def test_read_r2eff(self):
         """Test the reading of a file containing r2eff values."""
 

Copied: 
branches/relax_disp/test_suite/system_tests/scripts/relax_disp/r2eff_calc.py 
(from r20434, 
branches/relax_disp/test_suite/shared_data/dispersion/lm63_3site/r2eff_calc.py)
URL: 
http://svn.gna.org/viewcvs/relax/branches/relax_disp/test_suite/system_tests/scripts/relax_disp/r2eff_calc.py?p2=branches/relax_disp/test_suite/system_tests/scripts/relax_disp/r2eff_calc.py&p1=branches/relax_disp/test_suite/shared_data/dispersion/lm63_3site/r2eff_calc.py&r1=20434&r2=20435&rev=20435&view=diff
==============================================================================
--- 
branches/relax_disp/test_suite/shared_data/dispersion/lm63_3site/r2eff_calc.py
 (original)
+++ 
branches/relax_disp/test_suite/system_tests/scripts/relax_disp/r2eff_calc.py 
Sat Jul 20 17:12:50 2013
@@ -22,12 +22,13 @@
 # The number of Monte Carlo simulations to be used for the error analyses.
 MC_NUM = 3
 
-# The results directory.
-RESULTS_DIR = '.'
-
 
 # Set up the data pipe.
 #######################
+
+# The results directory.
+if not hasattr(ds, 'tmpdir'):
+    ds.tmpdir = None
 
 # Create the data pipe.
 pipe_name = 'base pipe'
@@ -106,11 +107,11 @@
 ##########################
 
 # Do not change!
-Relax_disp(pipe_name=pipe_name, pipe_bundle=pipe_bundle, 
results_dir=RESULTS_DIR, 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)
 
 # Strip out all of the simulation data.
 for spin in spin_loop():
     delattr(spin, 'r2eff_sim')
 
 # Save the program state.
-state.save('r2eff_values', force=True)
+state.save('devnull', force=True)