r25001 - /branches/R1_fitting/test_suite/system_tests/relax_disp.py -- August 12, 2014 - 15:24

Author: tlinnet
Date: Tue Aug 12 15:24:00 2014
New Revision: 25001

URL: http://svn.gna.org/viewcvs/relax?rev=25001&view=rev
Log:
Modified systemtest Relax_disp.test_r1rho_kjaergaard_missing_r1 to load 
previous R2eff values, and not optimise them.

sr #3135(https://gna.org/support/?3135): Optimisation of the R1 relaxation 
rate for the off-resonance R1rho relaxation dispersion models.

Modified:
    branches/R1_fitting/test_suite/system_tests/relax_disp.py

Modified: branches/R1_fitting/test_suite/system_tests/relax_disp.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/R1_fitting/test_suite/system_tests/relax_disp.py?rev=25001&r1=25000&r2=25001&view=diff
==============================================================================
--- branches/R1_fitting/test_suite/system_tests/relax_disp.py   (original)
+++ branches/R1_fitting/test_suite/system_tests/relax_disp.py   Tue Aug 12 
15:24:00 2014
@@ -5361,8 +5361,11 @@
         self.interpreter.select.spin(spin_id=':52@N', change_all=False)
         #self.interpreter.relax_disp.cluster('model_cluster', ':52@N')
 
+        # Point to directory with R2eff values, with 2000 MC simulations.
+        prev_data_path = status.install_path + 
sep+'test_suite'+sep+'shared_data'+sep+'dispersion'+sep+'Kjaergaard_et_al_2013'
 +sep+ "check_graphs" +sep+ "mc_2000"
+
         # Run the analysis.
-        relax_disp.Relax_disp(pipe_name=ds.pipe_name, 
pipe_bundle=ds.pipe_bundle, results_dir=result_dir_name, models=MODELS, 
grid_inc=GRID_INC, mc_sim_num=MC_NUM, modsel=MODSEL)
+        relax_disp.Relax_disp(pipe_name=ds.pipe_name, 
pipe_bundle=ds.pipe_bundle, results_dir=result_dir_name, models=MODELS, 
grid_inc=GRID_INC, mc_sim_num=MC_NUM, modsel=MODSEL, 
pre_run_dir=prev_data_path, optimise_pre_run_r2eff=False)
 
         # Check the kex value of residue 52
         #self.assertAlmostEqual(cdp.mol[0].res[41].spin[0].kex, 
ds.ref[':52@N'][6])