r19890 - /branches/relax_disp/test_suite/system_tests/scripts/relax_disp/exp_fit.py -- June 06, 2013 - 14:28

Author: bugman
Date: Thu Jun  6 14:28:58 2013
New Revision: 19890

URL: http://svn.gna.org/viewcvs/relax?rev=19890&view=rev
Log:
Reverted r19888 as the auto-analysis with just this model catches a bug users 
might encounter.

The command used was:
svn merge -r19888:r19887 .

The bug caught was fixed in r19889, but this system test now checks that it 
doesn't return.

.....
  Fix for the Relax_disp.test_exp_fit system test.
  
  Now this checks the fitting of exponential curves without using the 
auto-analysis - the
  auto-analysis is an overkill.
.....


Modified:
    branches/relax_disp/test_suite/system_tests/scripts/relax_disp/exp_fit.py

Modified: 
branches/relax_disp/test_suite/system_tests/scripts/relax_disp/exp_fit.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/relax_disp/test_suite/system_tests/scripts/relax_disp/exp_fit.py?rev=19890&r1=19889&r2=19890&view=diff
==============================================================================
--- branches/relax_disp/test_suite/system_tests/scripts/relax_disp/exp_fit.py 
(original)
+++ branches/relax_disp/test_suite/system_tests/scripts/relax_disp/exp_fit.py 
Thu Jun  6 14:28:58 2013
@@ -80,22 +80,13 @@
 relax_disp.cluster(cluster_id='test', spin_id=':1')
 relax_disp.cluster(cluster_id='cluster', spin_id=':1,3@N')
 
-# Error analysis.
-spectrum.error_analysis(subset=['nu_1kHz_relaxT_0.01', 
'nu_1kHz_relaxT_0.02', 'nu_1kHz_relaxT_0.04', 'nu_1kHz_relaxT_0.06', 
'nu_1kHz_relaxT_0.08', 'nu_1kHz_relaxT_0.10', 'nu_1kHz_relaxT_0.12', 
'nu_2kHz_relaxT_0.01', 'nu_2kHz_relaxT_0.02', 'nu_2kHz_relaxT_0.04', 
'nu_2kHz_relaxT_0.06', 'nu_2kHz_relaxT_0.08', 'nu_2kHz_relaxT_0.10', 
'nu_2kHz_relaxT_0.12'])
 
-# Set the model.
-relax_disp.select_model(model='R2eff')
 
-# Low precision optimisation.
-grid_search(inc=3, constraints=True, verbosity=1)
-minimise(min_algor='simplex', line_search=None, hessian_mod=None, 
hessian_type=None, func_tol=1e-05, grad_tol=None, max_iter=1000, 
constraints=True, scaling=True, verbosity=1)
+# Auto-analysis execution.
+##########################
 
-# Monte Carlo simulations.
-monte_carlo.setup(number=3)
-monte_carlo.create_data(method='back_calc')
-monte_carlo.initial_values()
-minimise(min_algor='simplex', func_tol=1e-25, grad_tol=None, 
max_iter=10000000, constraints=True, scaling=True, verbosity=1)
-monte_carlo.error_analysis()
+# 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)
 
 # Save the program state.
 state.save('devnull', force=True)