r27215 - /trunk/test_suite/system_tests/relax_disp.py -- January 17, 2015 - 17:25

Author: tlinnet
Date: Sat Jan 17 17:25:12 2015
New Revision: 27215

URL: http://svn.gna.org/viewcvs/relax?rev=27215&view=rev
Log:
Simplification of systemtest 
Relax_disp.test_task_7882_monte_carlo_std_residual, to just test the creation 
of Monte-Carlo data where errors are drawn from the reduced chi2 distribution.

Task #7882 (https://gna.org/task/?7882): Implement Monte-Carlo simulation, 
where errors are generated with width of standard deviation or residuals.): 
Implement Monte-Carlo simulation, where errors are generated with width of 
standard deviation or residuals.

Modified:
    trunk/test_suite/system_tests/relax_disp.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=27215&r1=27214&r2=27215&view=diff
==============================================================================
--- trunk/test_suite/system_tests/relax_disp.py (original)
+++ trunk/test_suite/system_tests/relax_disp.py Sat Jan 17 17:25:12 2015
@@ -8534,36 +8534,33 @@
         file_name = status.install_path + 
sep+'test_suite'+sep+'shared_data'+sep+'dispersion'+sep+'error_testing'+sep+'task_7882'
         self.interpreter.results.read(file_name)
 
-        # Recalc the values at this step, to make sure that Sum of Squares 
are stored (Chi2 without weighting) and standard deviation is stored.
-        self.interpreter.minimise.execute(min_algor='simplex', 
func_tol=1e-05, max_iter=10, verbosity=0)
-
-        # Make sure they are stored for all spins.
-        for spin, spin_id in spin_loop(return_id=True, skip_desel=True):
-            self.assert_(hasattr(spin, 'sos'))
-            self.assert_(hasattr(spin, 'sos_std'))
-
-        # Then check the results are stored after a call to calculate 
function.
-        # First reset.
-        self.interpreter.reset()
-
-        # Run the setup function to create pipe.
-        self.setUp()
-        
-        # Load the results file from a clustered minimisation.
-        file_name = status.install_path + 
sep+'test_suite'+sep+'shared_data'+sep+'dispersion'+sep+'error_testing'+sep+'task_7882'
-        self.interpreter.results.read(file_name)
-
-        # Recalc the values at this step, to make sure that Sum of Squares 
are stored (Chi2 without weighting) and standard deviation (dof) is stored.
-        self.interpreter.minimise.calculate(verbosity=1)
-
-        # Make sure they are stored for all spins.
-        for spin, spin_id in spin_loop(return_id=True, skip_desel=True):
-            self.assert_(hasattr(spin, 'sos'))
-            self.assert_(hasattr(spin, 'sos_std'))
-
         # Get the spins, which was used for clustering.
         spins_cluster = cdp.clustering['sel']
         spins_free = cdp.clustering['free spins']
+
+        # For sanity check, calculate degree of freedom.
+        cur_spin_id = spins_cluster[0]
+        cur_spin = return_spin(cur_spin_id)
+
+        # Calculate total number of datapoins.
+        N = len(spins_cluster)
+        N_dp = N * len(cur_spin.r2eff)
+
+        # Calculate number of paramaters. For CR72, there is R2 per 
spectrometer field, individual dw, and shared kex and pA.
+        N_par = cdp.spectrometer_frq_count * N + N + 1 + 1
+        dof = N_dp - N_par
+
+        # Sanity check of parameters.
+        print(N_par, N_dp)
+
+        # Number of MC
+        mc_nr = 3
+
+        # Setup MC.
+        self.interpreter.monte_carlo.setup(number=mc_nr)
+
+        # Create data.
+        self.interpreter.monte_carlo.create_data(distribution="red_chi2")
 
 
     def test_tp02_data_to_tp02(self):