Re: r24986 - in /branches/R1_fitting: auto_analyses/ specific_analyses/relax_disp/ test_suite/unit_tests/_specific_analyses/_rel... -- August 18, 2014 - 15:56

Oh, here are the unit tests.  I would recommend splitting each of
these into a separate unit test so that there is at least one test for
each model.  This is the purpose of unit tests, being very simple
tests of a single function under a single condition.  Then when it
fails, the problem is instantly identifiable.  It can then be seen if
all the conditions fail simultaneously of if only one condition fails.

Cheers,

Edward



On 12 August 2014 10:54,  <tlinnet@xxxxxxxxxxxxx> wrote:
> Author: tlinnet
> Date: Tue Aug 12 10:54:43 2014
> New Revision: 24986
>
> URL: http://svn.gna.org/viewcvs/relax?rev=24986&view=rev
> Log:
> Modified nesting function to return all model info for the current model, 
> and the comparable model.
>
> 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/auto_analyses/relax_disp.py
>     branches/R1_fitting/specific_analyses/relax_disp/variables.py
>     
> branches/R1_fitting/test_suite/unit_tests/_specific_analyses/_relax_disp/test_variables.py
>
> Modified: branches/R1_fitting/auto_analyses/relax_disp.py
> URL: 
> http://svn.gna.org/viewcvs/relax/branches/R1_fitting/auto_analyses/relax_disp.py?rev=24986&r1=24985&r2=24986&view=diff
> ==============================================================================
> --- branches/R1_fitting/auto_analyses/relax_disp.py     (original)
> +++ branches/R1_fitting/auto_analyses/relax_disp.py     Tue Aug 12 10:54:43 
> 2014
> @@ -287,9 +287,9 @@
>          subsection(file=sys.stdout, text="Nesting and model equivalence 
> checks", prespace=1)
>
>          # The simpler model.
> -        nested_model = nesting_model(self_models=self.models, model=model)
> -        if nested_model != None:
> -            nested_pipe = self.name_pipe(nested_model)
> +        model_info, comparable_model_info = 
> nesting_model(self_models=self.models, model=model)
> +        if comparable_model_info != None:
> +            nested_pipe = self.name_pipe(comparable_model_info.model)
>          else:
>              nested_pipe = None
>
>
> Modified: branches/R1_fitting/specific_analyses/relax_disp/variables.py
> URL: 
> http://svn.gna.org/viewcvs/relax/branches/R1_fitting/specific_analyses/relax_disp/variables.py?rev=24986&r1=24985&r2=24986&view=diff
> ==============================================================================
> --- branches/R1_fitting/specific_analyses/relax_disp/variables.py       
> (original)
> +++ branches/R1_fitting/specific_analyses/relax_disp/variables.py       Tue 
> Aug 12 10:54:43 2014
> @@ -844,8 +844,8 @@
>      @type self_models:      list of str
>      @keyword model:         The current model to analyse.
>      @type model:            str
> -    @return:                The model to nest from.
> -    @rtype:                 str
> +    @return:                The current model info, the possible nest 
> model info.
> +    @rtype:                 class, class
>      """
>
>
> @@ -878,7 +878,7 @@
>          # Loop over the list of comparable models, if the parameters are 
> the same, return that as nested model.
>          for compa_model in compa_models:
>              if compa_model.params == model_info.params:
> -                return compa_model.model
> +                return model_info, compa_model
>
>          # Loop over the list of comparable models, if the parameters 
> (other than R20 params) are the same, return that as nested model.
>          for compa_model in compa_models:
> @@ -891,7 +891,7 @@
>
>              # If the partial params are the same, then return that model.
>              if part_compa_model_params == part_model_params:
> -                return compa_model.model
> +                return model_info, compa_model
>
>          # Loop over the list of comparable models, if the parameters are 
> part of the more complex model, return that as nested model.
>          for compa_model in compa_models:
> @@ -915,7 +915,7 @@
>
>              # If all parameters are found in the more complex model.
>              if param_in:
> -                return compa_model.model
> +                return model_info, compa_model
>
>          # Special case for LM63
>          if model == MODEL_LM63_3SITE:
> @@ -923,7 +923,7 @@
>              for compa_model in compa_models:
>                  # If one of the comparable models is MODEL_LM63, return 
> this.
>                  if compa_model.model == MODEL_LM63:
> -                    return compa_model.model
> +                    return model_info, compa_model
>
>          # Special case for MODEL_NS_MMQ_3SITE or 
> MODEL_NS_MMQ_3SITE_LINEAR, getting parameters from MODEL_NS_MMQ_2SITE.
>          elif model in [MODEL_NS_MMQ_3SITE, MODEL_NS_MMQ_3SITE_LINEAR]:
> @@ -931,7 +931,7 @@
>              for compa_model in compa_models:
>                  # If one of the comparable models is MODEL_NS_MMQ_2SITE, 
> return this.
>                  if compa_model.model == MODEL_NS_MMQ_2SITE:
> -                    return compa_model.model
> +                    return model_info, compa_model
>
>          # Special case for MODEL_NS_R1RHO_3SITE or 
> MODEL_NS_R1RHO_3SITE_LINEAR, getting parameters from MODEL_NS_R1RHO_2SITE.
>          elif model in [MODEL_NS_R1RHO_3SITE, MODEL_NS_R1RHO_3SITE_LINEAR]:
> @@ -939,7 +939,7 @@
>              for compa_model in compa_models:
>                  # If one of the comparable models is MODEL_NS_MMQ_2SITE, 
> return this.
>                  if compa_model.model == MODEL_NS_R1RHO_2SITE:
> -                    return compa_model.model
> +                    return model_info, compa_model
>
>          # Special case for DPL94.
>          elif model in [MODEL_DPL94, MODEL_DPL94_FIT_R1]:
> @@ -947,7 +947,7 @@
>              for compa_model in compa_models:
>                  # If one of the comparable models is in list with R1rho 
> R1, return this.
>                  if compa_model.model in MODEL_LIST_R1RHO_W_R1_ONLY + 
> MODEL_LIST_R1RHO_FIT_R1_ONLY:
> -                    return compa_model.model
> +                    return model_info, compa_model
>
>
>      # If there is no comparable models according to EXP_TYPE, check if 
> some models can be nested anyway.
> @@ -961,7 +961,7 @@
>              for compa_model in compa_models:
>                  # If one of the comparable models is MODEL_CR72, return 
> this.
>                  if compa_model.model == MODEL_CR72:
> -                    return compa_model.model
> +                    return model_info, compa_model
>
>          else:
> -            return None
> +            return model_info, None
>
> 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=24986&r1=24985&r2=24986&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 10:54:43 2014
> @@ -91,7 +91,7 @@
>          model = MODEL_NS_CPMG_2SITE_STAR
>
>          # Test the return.
> -        self.assertEqual(nesting_model(self_models=self_models, 
> model=model), MODEL_NS_CPMG_2SITE_3D)
> +        self.assertEqual(nesting_model(self_models=self_models, 
> model=model)[1].model, MODEL_NS_CPMG_2SITE_3D)
>
>          ## Test numerical full model return.
>          # Define all the models tested in the analysis.
> @@ -101,7 +101,7 @@
>          model = MODEL_NS_CPMG_2SITE_STAR_FULL
>
>          # Test the return.
> -        self.assertEqual(nesting_model(self_models=self_models, 
> model=model), MODEL_NS_CPMG_2SITE_3D_FULL)
> +        self.assertEqual(nesting_model(self_models=self_models, 
> model=model)[1].model, MODEL_NS_CPMG_2SITE_3D_FULL)
>
>          ## Test silico simple return from a full model request.
>          # Define all the models tested in the analysis.
> @@ -111,7 +111,7 @@
>          model = MODEL_B14_FULL
>
>          # Test the return.
> -        self.assertEqual(nesting_model(self_models=self_models, 
> model=model), MODEL_NS_CPMG_2SITE_EXPANDED)
> +        self.assertEqual(nesting_model(self_models=self_models, 
> model=model)[1].model, MODEL_NS_CPMG_2SITE_EXPANDED)
>
>          ## Test LM63 model request.
>          # Define all the models tested in the analysis.
> @@ -121,7 +121,7 @@
>          model = MODEL_LM63_3SITE
>
>          # Test the return.
> -        self.assertEqual(nesting_model(self_models=self_models, 
> model=model), MODEL_LM63)
> +        self.assertEqual(nesting_model(self_models=self_models, 
> model=model)[1].model, MODEL_LM63)
>
>          ## Test MODEL_CR72_FULL model request.
>          # Define all the models tested in the analysis.
> @@ -131,7 +131,7 @@
>          model = MODEL_CR72_FULL
>
>          # Test the return.
> -        self.assertEqual(nesting_model(self_models=self_models, 
> model=model), MODEL_CR72)
> +        self.assertEqual(nesting_model(self_models=self_models, 
> model=model)[1].model, MODEL_CR72)
>
>          ## Test MODEL_CR72_FULL model request, when models are ordered 
> different.
>          # Define all the models tested in the analysis.
> @@ -141,7 +141,7 @@
>          model = MODEL_CR72_FULL
>
>          # Test the return.
> -        self.assertEqual(nesting_model(self_models=self_models, 
> model=model), MODEL_B14_FULL)
> +        self.assertEqual(nesting_model(self_models=self_models, 
> model=model)[1].model, MODEL_B14_FULL)
>
>
>      def test_nesting_model_cpmg_mmq(self):
> @@ -155,7 +155,7 @@
>          model = MODEL_MMQ_CR72
>
>          # Test the return.
> -        self.assertEqual(nesting_model(self_models=self_models, 
> model=model), MODEL_CR72)
> +        self.assertEqual(nesting_model(self_models=self_models, 
> model=model)[1].model, MODEL_CR72)
>
>          ## Test MODEL_NS_MMQ_3SITE_LINEAR model request, when models are 
> MODEL_NS_MMQ_2SITE.
>          # Define all the models tested in the analysis.
> @@ -165,7 +165,7 @@
>          model = MODEL_NS_MMQ_3SITE_LINEAR
>
>          # Test the return.
> -        self.assertEqual(nesting_model(self_models=self_models, 
> model=model), MODEL_NS_MMQ_2SITE)
> +        self.assertEqual(nesting_model(self_models=self_models, 
> model=model)[1].model, MODEL_NS_MMQ_2SITE)
>
>          ## Test MODEL_NS_MMQ_3SITE model request, when models are 
> MODEL_NS_MMQ_3SITE_LINEAR.
>          # Define all the models tested in the analysis.
> @@ -175,7 +175,7 @@
>          model = MODEL_NS_MMQ_3SITE
>
>          # Test the return.
> -        self.assertEqual(nesting_model(self_models=self_models, 
> model=model), MODEL_NS_MMQ_3SITE_LINEAR)
> +        self.assertEqual(nesting_model(self_models=self_models, 
> model=model)[1].model, MODEL_NS_MMQ_3SITE_LINEAR)
>
>          ## Test MODEL_NS_MMQ_3SITE model request, when models are 
> MODEL_NS_MMQ_2SITE.
>          # Define all the models tested in the analysis.
> @@ -185,7 +185,7 @@
>          model = MODEL_NS_MMQ_3SITE
>
>          # Test the return.
> -        self.assertEqual(nesting_model(self_models=self_models, 
> model=model), MODEL_NS_MMQ_2SITE)
> +        self.assertEqual(nesting_model(self_models=self_models, 
> model=model)[1].model, MODEL_NS_MMQ_2SITE)
>
>
>      def test_nesting_model_r1rho_ns(self):
> @@ -199,7 +199,7 @@
>          model = MODEL_NS_R1RHO_3SITE_LINEAR
>
>          # Test the return.
> -        self.assertEqual(nesting_model(self_models=self_models, 
> model=model), MODEL_NS_R1RHO_2SITE)
> +        self.assertEqual(nesting_model(self_models=self_models, 
> model=model)[1].model, MODEL_NS_R1RHO_2SITE)
>
>          ## Test MODEL_NS_R1RHO_3SITE model request, when models are 
> MODEL_NS_R1RHO_3SITE_LINEAR.
>          # Define all the models tested in the analysis.
> @@ -209,7 +209,7 @@
>          model = MODEL_NS_R1RHO_3SITE
>
>          # Test the return.
> -        self.assertEqual(nesting_model(self_models=self_models, 
> model=model), MODEL_NS_R1RHO_3SITE_LINEAR)
> +        self.assertEqual(nesting_model(self_models=self_models, 
> model=model)[1].model, MODEL_NS_R1RHO_3SITE_LINEAR)
>
>          ## Test MODEL_NS_R1RHO_3SITE model request, when models are 
> MODEL_NS_R1RHO_2SITE.
>          # Define all the models tested in the analysis.
> @@ -219,7 +219,7 @@
>          model = MODEL_NS_R1RHO_3SITE
>
>          # Test the return.
> -        self.assertEqual(nesting_model(self_models=self_models, 
> model=model), MODEL_NS_R1RHO_2SITE)
> +        self.assertEqual(nesting_model(self_models=self_models, 
> model=model)[1].model, MODEL_NS_R1RHO_2SITE)
>
>
>      def test_nesting_model_r1rho(self):
> @@ -233,7 +233,7 @@
>          model = MODEL_MP05_FIT_R1
>
>          # Test the return.
> -        self.assertEqual(nesting_model(self_models=self_models, 
> model=model), MODEL_TAP03_FIT_R1)
> +        self.assertEqual(nesting_model(self_models=self_models, 
> model=model)[1].model, MODEL_TAP03_FIT_R1)
>
>          ## Test MODEL_TP02_FIT_R1 model request, when models are all R1rho 
> models with fitted R1, and MODEL_NS_R1RHO_2SITE_FIT_R1 was fitted first.
>          # Define all the models tested in the analysis.
> @@ -243,7 +243,7 @@
>          model = MODEL_TP02_FIT_R1
>
>          # Test the return.
> -        self.assertEqual(nesting_model(self_models=self_models, 
> model=model), MODEL_NS_R1RHO_2SITE_FIT_R1)
> +        self.assertEqual(nesting_model(self_models=self_models, 
> model=model)[1].model, MODEL_NS_R1RHO_2SITE_FIT_R1)
>
>          ## Test MODEL_DPL94_FIT_R1 model request, when models are all 
> R1rho models with fitted R1, and MODEL_NS_R1RHO_2SITE_FIT_R1 was fitted 
> first.
>          # Define all the models tested in the analysis.
> @@ -253,7 +253,7 @@
>          model = MODEL_DPL94_FIT_R1
>
>          # Test the return.
> -        self.assertEqual(nesting_model(self_models=self_models, 
> model=model), MODEL_NS_R1RHO_2SITE_FIT_R1)
> +        self.assertEqual(nesting_model(self_models=self_models, 
> model=model)[1].model, MODEL_NS_R1RHO_2SITE_FIT_R1)
>
>          ## Test MODEL_TP02_FIT_R1 model request, when model are all R1rho 
> models with fitted R1, and MODEL_DPL94_FIT_R1 was fitted first.
>          # Define all the models tested in the analysis.
> @@ -263,4 +263,4 @@
>          model = MODEL_TP02_FIT_R1
>
>          # Test the return.
> -        self.assertEqual(nesting_model(self_models=self_models, 
> model=model), MODEL_DPL94_FIT_R1)
> +        self.assertEqual(nesting_model(self_models=self_models, 
> model=model)[1].model, MODEL_DPL94_FIT_R1)
>
>
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