r27160 - /trunk/test_suite/system_tests/relax_disp.py -- January 14, 2015 - 14:45

Author: tlinnet
Date: Wed Jan 14 14:45:20 2015
New Revision: 27160

URL: http://svn.gna.org/viewcvs/relax?rev=27160&view=rev
Log:
Added systemtest "Relax_disp.test_bug_23186_cluster_error_calc_dw", which 
shows the failure of monte carlo simulations error calculations.

Bug #23186 (https://gna.org/bugs/index.php?23186): Error calculation of 
individual parameter "dw" from Monte-Carlo, is based on first spin.

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=27160&r1=27159&r2=27160&view=diff
==============================================================================
--- trunk/test_suite/system_tests/relax_disp.py (original)
+++ trunk/test_suite/system_tests/relax_disp.py Wed Jan 14 14:45:20 2015
@@ -1449,6 +1449,32 @@
 
         # Assert that the number of columns is equal, plus 1 for "#".
         self.assertEqual(nr_split_header, len(line_split_val) + 1)
+
+
+    def test_bug_23186_cluster_error_calc_dw(self):
+        """Catch U{bug #23186<https://gna.org/bugs/?23186>}: Error 
calculation of individual parameter "dw" from Monte-Carlo, is based on first 
spin."""
+
+        # Clear the data store.
+        self.interpreter.reset()
+
+        # Load the state.
+        state = status.install_path + 
sep+'test_suite'+sep+'shared_data'+sep+'dispersion'+sep+'bug_23186.bz2'
+        self.interpreter.state.load(state, force=True)
+
+        # First get the array of sim dw.
+        resi_0_dw = cdp.mol[0].res[0].spin[0].dw_sim
+        resi_86_dw = cdp.mol[0].res[1].spin[0].dw_sim
+
+        # Get stats with numpy
+        resi_0_dw_std = std(asarray(resi_0_dw), ddof=1)
+        resi_86_dw_std = std(asarray(resi_86_dw), ddof=1)
+
+        # Perform error analysis.
+        self.interpreter.monte_carlo.error_analysis()
+
+        # Check values.
+        self.assertEqual(resi_0_dw_std, cdp.mol[0].res[0].spin[0].dw_err)
+        self.assertEqual(resi_86_dw_std, cdp.mol[0].res[1].spin[0].dw_err)
 
 
     def test_bug_9999_slow_r1rho_r2eff_error_with_mc(self):