r25511 - /branches/est_par_error/test_suite/system_tests/relax_disp.py -- September 01, 2014 - 19:52

Author: tlinnet
Date: Mon Sep  1 19:52:42 2014
New Revision: 25511

URL: http://svn.gna.org/viewcvs/relax?rev=25511&view=rev
Log:
Added initial systemtest Relax_disp.test_task_model_par_est_tsmfk01, to load 
data, and call back end function for estimating errors for model parameters.

task #7824(https://gna.org/task/index.php?7824): Model parameter ERROR 
estimation from Jacobian and Co-variance matrix of dispersion models.

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

Modified: branches/est_par_error/test_suite/system_tests/relax_disp.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/est_par_error/test_suite/system_tests/relax_disp.py?rev=25511&r1=25510&r2=25511&view=diff
==============================================================================
--- branches/est_par_error/test_suite/system_tests/relax_disp.py        
(original)
+++ branches/est_par_error/test_suite/system_tests/relax_disp.py        Mon 
Sep  1 19:52:42 2014
@@ -39,7 +39,7 @@
 from pipe_control.mol_res_spin import generate_spin_string, return_spin, 
spin_loop
 from pipe_control.minimise import assemble_scaling_matrix
 from specific_analyses.relax_disp.checks import check_missing_r1
-from specific_analyses.relax_disp.estimate_r2eff import estimate_r2eff
+from specific_analyses.relax_disp.estimate_r2eff import estimate_par_err, 
estimate_r2eff
 from specific_analyses.relax_disp.data import average_intensity, 
check_intensity_errors, generate_r20_key, get_curve_type, 
has_exponential_exp_type, has_r1rho_exp_type, loop_exp_frq, 
loop_exp_frq_offset_point, loop_exp_frq_offset_point_time, loop_time, 
return_grace_file_name_ini, return_param_key_from_data, spin_ids_to_containers
 from specific_analyses.relax_disp.data import INTERPOLATE_DISP, 
INTERPOLATE_OFFSET, X_AXIS_DISP, X_AXIS_W_EFF, X_AXIS_THETA, Y_AXIS_R2_R1RHO, 
Y_AXIS_R2_EFF
 from specific_analyses.relax_disp.model import models_info, nesting_param
@@ -7364,15 +7364,13 @@
         statefile ='final_state'
         #self.interpreter.state.load(state=statefile, dir=data_path, 
force=True)
 
-        # After minimisation
+        # After initial minimisation.
         resultsfile = 'final_results'
         self.interpreter.pipe.create(pipe_name='base pipe', 
pipe_type='relax_disp')
         self.interpreter.results.read(file=resultsfile, dir=data_path)
 
-        # After Monte-Carlo.
-        resultsfile_mc = 'final_results_mc'
-        self.interpreter.pipe.create(pipe_name='mc pipe', 
pipe_type='relax_disp')
-        self.interpreter.results.read(file=resultsfile_mc, dir=data_path)
+        # Estimate model error.
+        estimate_par_err()
 
         # Get the data.
         for cur_spin, mol_name, resi, resn, spin_id in 
spin_loop(full_info=True, return_id=True, skip_desel=True):
@@ -7382,10 +7380,13 @@
             for exp_type, frq, offset, point, ei, mi, oi, di in 
loop_exp_frq_offset_point(return_indices=True):
                 # Generate the param_key.
                 param_key = return_param_key_from_data(exp_type=exp_type, 
frq=frq, offset=offset, point=point)
-
-                print cur_spin.k_AB
-
-        print statefile
+                param_key = generate_r20_key(exp_type=exp_type, frq=frq)
+
+        # After Monte-Carlo.
+        resultsfile_mc = 'final_results_mc'
+        #self.interpreter.pipe.create(pipe_name='mc pipe', 
pipe_type='relax_disp')
+        #self.interpreter.results.read(file=resultsfile_mc, dir=data_path)
+
 
 
     def test_tp02_data_to_ns_r1rho_2site(self, model=None):