Re: r24996 - /branches/R1_fitting/test_suite/unit_tests/_specific_analyses/_relax_disp/test_variables.py -- August 18, 2014

Hi Troels,

I don't agree on this order:

    expected_result = [MODEL_R2EFF, MODEL_NOREX_R1RHO_FIT_R1,
MODEL_MP05_FIT_R1, MODEL_TAP03_FIT_R1, MODEL_TP02_FIT_R1,
MODEL_DPL94_FIT_R1, MODEL_NS_R1RHO_2SITE_FIT_R1]

as the TP02 model should be before MP05.  The TP02 parameters could be
used as the starting point for the MP05 model (though I doubt anyone
will optimise both of these models at the same time, it might happen).
MP05 should be before the numeric model, as it is.  And the rest I
would not use nesting for, so the order is unimportant.  Though I
don't see why DPL94 comes after all of the Palmer models.

Regards,

Edward



On 12 August 2014 10:55,  <tlinnet@xxxxxxxxxxxxx> wrote:

Author: tlinnet
Date: Tue Aug 12 10:55:04 2014
New Revision: 24996

URL: http://svn.gna.org/viewcvs/relax?rev=24996&view=rev
Log:
Added unit test, to test the expected sorting of models for auto analyses.

sr #3135(https://gna.org/support/?3135): Optimisation of the R1 relaxation 
rate for the off-resonance R1rho relaxation dispersion models.

Modified:
    
branches/R1_fitting/test_suite/unit_tests/_specific_analyses/_relax_disp/test_variables.py

Modified: 
branches/R1_fitting/test_suite/unit_tests/_specific_analyses/_relax_disp/test_variables.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/R1_fitting/test_suite/unit_tests/_specific_analyses/_relax_disp/test_variables.py?rev=24996&r1=24995&r2=24996&view=diff
==============================================================================
--- 
branches/R1_fitting/test_suite/unit_tests/_specific_analyses/_relax_disp/test_variables.py
  (original)
+++ 
branches/R1_fitting/test_suite/unit_tests/_specific_analyses/_relax_disp/test_variables.py
  Tue Aug 12 10:55:04 2014
@@ -20,7 +20,7 @@
 
###############################################################################

 # relax module imports.
-from specific_analyses.relax_disp.variables import nesting_model
+from specific_analyses.relax_disp.variables import nesting_model, 
sort_models
 from specific_analyses.relax_disp.variables import MODEL_B14, 
MODEL_B14_FULL, MODEL_CR72, MODEL_CR72_FULL, MODEL_DPL94_FIT_R1, 
MODEL_IT99, MODEL_MMQ_CR72, MODEL_LM63, MODEL_LM63_3SITE, 
MODEL_MP05_FIT_R1, MODEL_NOREX, MODEL_NOREX_R1RHO_FIT_R1, 
MODEL_NS_CPMG_2SITE_3D, MODEL_NS_CPMG_2SITE_3D_FULL, 
MODEL_NS_CPMG_2SITE_EXPANDED, MODEL_NS_CPMG_2SITE_STAR, 
MODEL_NS_CPMG_2SITE_STAR_FULL, MODEL_NS_MMQ_2SITE, MODEL_NS_MMQ_3SITE, 
MODEL_NS_MMQ_3SITE_LINEAR, MODEL_NS_R1RHO_2SITE, 
MODEL_NS_R1RHO_2SITE_FIT_R1, MODEL_NS_R1RHO_3SITE, 
MODEL_NS_R1RHO_3SITE_LINEAR, MODEL_R2EFF, MODEL_TAP03_FIT_R1, 
MODEL_TP02_FIT_R1, MODEL_TSMFK01
 from specific_analyses.relax_disp.variables import MODEL_EXP_TYPE, 
MODEL_EQ, MODEL_PARAMS, MODEL_SITES, MODEL_YEAR
 from test_suite.unit_tests.base_classes import UnitTestCase
@@ -294,3 +294,40 @@

         # Test the return.
         self.assertEqual(nesting_model(self_models=self_models, 
model=model)[1].model, MODEL_DPL94_FIT_R1)
+
+
+    def test_sort_models(self):
+        """Unit test of function sort_models, which determine how to sort 
models for auto analyses."""
+
+        ## Test sort of models, when models are all R1rho models with 
fitted R1.
+        # Define all the models tested in the analysis.
+        self_models = [MODEL_R2EFF, MODEL_NOREX_R1RHO_FIT_R1, 
MODEL_DPL94_FIT_R1, MODEL_TP02_FIT_R1, MODEL_TAP03_FIT_R1, 
MODEL_MP05_FIT_R1, MODEL_NS_R1RHO_2SITE_FIT_R1]
+        expected_result = [MODEL_R2EFF, MODEL_NOREX_R1RHO_FIT_R1, 
MODEL_MP05_FIT_R1, MODEL_TAP03_FIT_R1, MODEL_TP02_FIT_R1, 
MODEL_DPL94_FIT_R1, MODEL_NS_R1RHO_2SITE_FIT_R1]
+
+        # Test the return.
+        self.assertEqual(sort_models(models=self_models), expected_result)
+
+        ## Test sort of models, when models are all CPMG models.
+        # Define all the models tested in the analysis.
+        self_models = [MODEL_R2EFF, MODEL_NOREX, MODEL_CR72, 
MODEL_CR72_FULL, MODEL_IT99, MODEL_TSMFK01, MODEL_B14, MODEL_B14_FULL, 
MODEL_NS_CPMG_2SITE_EXPANDED, MODEL_NS_CPMG_2SITE_3D, 
MODEL_NS_CPMG_2SITE_3D_FULL, MODEL_NS_CPMG_2SITE_STAR, 
MODEL_NS_CPMG_2SITE_STAR_FULL]
+        expected_result = [MODEL_R2EFF, MODEL_NOREX, 
MODEL_NS_CPMG_2SITE_EXPANDED, MODEL_B14, MODEL_B14_FULL, MODEL_TSMFK01, 
MODEL_IT99, MODEL_CR72, MODEL_CR72_FULL, MODEL_NS_CPMG_2SITE_3D, 
MODEL_NS_CPMG_2SITE_STAR, MODEL_NS_CPMG_2SITE_3D_FULL, 
MODEL_NS_CPMG_2SITE_STAR_FULL]
+
+        # Test the return.
+        self.assertEqual(sort_models(models=self_models), expected_result)
+
+        ## Test sort of models, when models are all CPMG MMQ models.
+        # Define all the models tested in the analysis.
+        self_models = [MODEL_R2EFF, MODEL_NOREX, MODEL_NS_MMQ_3SITE, 
MODEL_NS_MMQ_2SITE, MODEL_MMQ_CR72, MODEL_NS_MMQ_3SITE_LINEAR]
+        expected_result = [MODEL_R2EFF, MODEL_NOREX, MODEL_MMQ_CR72, 
MODEL_NS_MMQ_2SITE, MODEL_NS_MMQ_3SITE_LINEAR, MODEL_NS_MMQ_3SITE]
+
+        # Test the return.
+        self.assertEqual(sort_models(models=self_models), expected_result)
+
+        ## Test sort of models, when models are mix of CPMG and CPMG MMQ 
models.
+        # Define all the models tested in the analysis.
+        self_models = [MODEL_R2EFF, MODEL_NOREX, MODEL_NS_MMQ_3SITE, 
MODEL_NS_MMQ_2SITE, MODEL_MMQ_CR72, MODEL_CR72, MODEL_B14, 
MODEL_NS_MMQ_3SITE_LINEAR]
+        expected_result = [MODEL_R2EFF, MODEL_NOREX, MODEL_B14, 
MODEL_CR72, MODEL_MMQ_CR72, MODEL_NS_MMQ_2SITE, MODEL_NS_MMQ_3SITE_LINEAR, 
MODEL_NS_MMQ_3SITE]
+
+        ## Test the return.
+        self.assertEqual(sort_models(models=self_models), expected_result)
+


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Re: r24996 - /branches/R1_fitting/test_suite/unit_tests/_specific_analyses/_relax_disp/test_variables.py

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