Re: r22321 - /trunk/test_suite/system_tests/relax_disp.py -- February 26, 2014

Hi Troels,

You may have already done this, but you may wish to change the test
name replacing the 'cpmg' part with 'r1rho'.

Cheers,

Edward



On 26 February 2014 08:36,  <tlinnet@xxxxxxxxxxxxx> wrote:

Author: tlinnet
Date: Wed Feb 26 08:36:29 2014
New Revision: 22321

URL: http://svn.gna.org/viewcvs/relax?rev=22321&view=rev
Log:
Added system test for bug 21344.

Regarding bug #21344, (https://gna.org/bugs/index.php?21344) - Handling of 
in sparse acquired R1rho dataset with missing combinations of time and 
spin-lock field strengths.

This test will fail with:
No intensity data could be found corresponding to the spectrometer 
frequency of 799.7773991 MHz, dispersion point of 431.0 and relaxation time 
of 0.14 s.
Data for a dispersion point of 431.0 and time 0.14 does not exist, and so 
some of the looping in collecting data for calculation must be wrong.
This behaviour and probably its solution is related to bug 21665, "Running 
a CPMG analysis with two fields at two delay times" 
(https://gna.org/bugs/index.php?21665).

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=22321&r1=22320&r2=22321&view=diff
==============================================================================
--- trunk/test_suite/system_tests/relax_disp.py (original)
+++ trunk/test_suite/system_tests/relax_disp.py Wed Feb 26 08:36:29 2014
@@ -265,6 +265,22 @@
         relax_disp.Relax_disp.opt_func_tol = 1e-5
         relax_disp.Relax_disp.opt_max_iterations = 1000
         relax_disp.Relax_disp(pipe_name="origin - relax_disp (Thu Jan  2 
13:46:44 2014)", pipe_bundle="relax_disp (Thu Jan  2 13:46:44 2014)", 
results_dir=self.tmpdir, models=['R2eff', 'No Rex', 'CR72', 'NS CPMG 2-site 
expanded'], grid_inc=3, mc_sim_num=5, modsel='AIC', pre_run_dir=None, 
insignificance=1.0, numeric_only=False, mc_sim_all_models=False, 
eliminate=True)
+
+
+    def 
test_bug_21344_cpmg_two_fields_two_delaytimes_fail_relax_disp(self):
+        """U{Bug #21665<https://gna.org/bugs/?21344>} catch, the failure 
of an analysis of a sparse acquired R1rho dataset with missing combinations 
of time and spin-lock field strengths using auto_analysis."""
+
+        # Clear the data store.
+        self.interpreter.reset()
+
+        # Load the state.
+        state = status.install_path + 
sep+'test_suite'+sep+'shared_data'+sep+'dispersion'+sep+'bug_21344.bz2'
+        self.interpreter.state.load(state, force=True)
+
+        # Execute the auto-analysis (fast).
+        relax_disp.Relax_disp.opt_func_tol = 1e-5
+        relax_disp.Relax_disp.opt_max_iterations = 1000
+        relax_disp.Relax_disp(pipe_name='base pipe', 
pipe_bundle='relax_disp', results_dir=self.tmpdir, models=['R2eff'], 
grid_inc=3, mc_sim_num=5, modsel='AIC', pre_run_dir=None, 
insignificance=1.0, numeric_only=False, mc_sim_all_models=False, 
eliminate=True)


     def test_bug_21665_cpmg_two_fields_two_delaytimes_fail_calc(self):


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Re: r22321 - /trunk/test_suite/system_tests/relax_disp.py

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