r27205 - /trunk/test_suite/system_tests/relax_disp.py -- January 16, 2015 - 23:19

Author: tlinnet
Date: Fri Jan 16 23:19:54 2015
New Revision: 27205

URL: http://svn.gna.org/viewcvs/relax?rev=27205&view=rev
Log:
Added to systemtest Relax_disp.test_task_7882_monte_carlo_std_residual() that 
spin.sos and spin.sos_std is stored after grid search.

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=27205&r1=27204&r2=27205&view=diff
==============================================================================
--- trunk/test_suite/system_tests/relax_disp.py (original)
+++ trunk/test_suite/system_tests/relax_disp.py Fri Jan 16 23:19:54 2015
@@ -8534,7 +8534,7 @@
         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.
+        # 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)
 
         # Make sure they are stored for all spins.
@@ -8542,7 +8542,7 @@
             self.assert_(hasattr(spin, 'sos'))
             self.assert_(hasattr(spin, 'sos_std'))
 
-        # Then check the results are stored after a call to calculate 
function.
+        # Then check the results are stored after a call to grid search 
function.
         # First reset.
         self.interpreter.reset()
 
@@ -8553,7 +8553,26 @@
         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.
+        # 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.grid_search(lower=None, upper=None, inc=3, 
constraints=True, 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 its standard deviation is stored.
         self.interpreter.minimise.calculate(verbosity=1)
 
         # Make sure they are stored for all spins.