r27207 - /trunk/test_suite/system_tests/relax_disp.py -- January 16, 2015 - 23:19

Author: tlinnet
Date: Fri Jan 16 23:19:58 2015
New Revision: 27207

URL: http://svn.gna.org/viewcvs/relax?rev=27207&view=rev
Log:
In systemtest Relax_disp.test_task_7882_monte_carlo_std_residual() inserted 
sanity checks of calculation of degrees of freedom.

Task #7882 (https://gna.org/task/?7882): 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=27207&r1=27206&r2=27207&view=diff
==============================================================================
--- trunk/test_suite/system_tests/relax_disp.py (original)
+++ trunk/test_suite/system_tests/relax_disp.py Fri Jan 16 23:19:58 2015
@@ -8534,13 +8534,35 @@
         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)
 
+        # Get the spins, which was used for clustering.
+        spins_cluster = cdp.clustering['sel']
+        spins_free = cdp.clustering['free spins']
+
         # Recalc the values at this step, to make sure that Sum of Squares 
are stored (Chi2 without weighting) and its standard deviation is stored.
         self.interpreter.minimise.execute(min_algor='simplex', 
func_tol=1e-05, max_iter=10, verbosity=0)
+
+        # 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
 
         # 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'))
+
+            # Calculate degree of freedoms.
+            dof_spin = int(round(spin.sos / spin.sos_std**2))
+
+            # Assert that this is the same.
+            self.assertEqual(dof, dof_spin)
 
         # Then check the results are stored after a call to grid search 
function.
         # First reset.
@@ -8561,6 +8583,12 @@
             self.assert_(hasattr(spin, 'sos'))
             self.assert_(hasattr(spin, 'sos_std'))
 
+            # Calculate degree of freedoms.
+            dof_spin = int(round(spin.sos / spin.sos_std**2))
+
+            # Assert that this is the same.
+            self.assertEqual(dof, dof_spin)
+
         # Then check the results are stored after a call to calculate 
function.
         # First reset.
         self.interpreter.reset()
@@ -8580,9 +8608,11 @@
             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']
+            # Calculate degree of freedoms.
+            dof_spin = int(round(spin.sos / spin.sos_std**2))
+
+            # Assert that this is the same.
+            self.assertEqual(dof, dof_spin)
 
 
     def test_tp02_data_to_tp02(self):