Author: tlinnet
Date: Tue Aug 12 10:54:49 2014
New Revision: 24988
URL: http://svn.gna.org/viewcvs/relax?rev=24988&view=rev
Log:
Fix for nesting kex, when model is CR72, and analysed models is IT99.
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/specific_analyses/relax_disp/variables.py
branches/R1_fitting/test_suite/unit_tests/_specific_analyses/_relax_disp/test_variables.py
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=24988&r1=24987&r2=24988&view=diff
==============================================================================
--- branches/R1_fitting/specific_analyses/relax_disp/variables.py
(original)
+++ branches/R1_fitting/specific_analyses/relax_disp/variables.py Tue
Aug 12 10:54:49 2014
@@ -911,6 +911,10 @@
elif param == 'phi_ex' and compa_model.model in
MODEL_LIST_ANALYTIC_CPMG + MODEL_LIST_NUMERIC_CPMG and model in
MODEL_LIST_ANALYTIC_CPMG + MODEL_LIST_NUMERIC_CPMG:
continue
+ # Special situation, where 'kex'=1/tex can still be nested
from IT99 model.
+ elif param == 'tex' and compa_model.model in
MODEL_LIST_ANALYTIC_CPMG + MODEL_LIST_NUMERIC_CPMG and model in
MODEL_LIST_ANALYTIC_CPMG + MODEL_LIST_NUMERIC_CPMG:
+ continue
+
# Else break out of the loop.
else:
# Break the for loop, if not found.
@@ -953,6 +957,13 @@
if compa_model.model in MODEL_LIST_R1RHO_W_R1_ONLY +
MODEL_LIST_R1RHO_FIT_R1_ONLY:
return model_info, compa_model
+ # Special case for IT99.
+ elif model in [MODEL_IT99]:
+ # Loop over the models.
+ 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_ANALYTIC_CPMG +
MODEL_LIST_NUMERIC_CPMG:
+ return model_info, compa_model
# If there is no comparable models according to EXP_TYPE, check if some
models can be nested anyway.
else:
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=24988&r1=24987&r2=24988&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 10:54:49 2014
@@ -151,9 +151,27 @@
model = MODEL_CR72
# Test the return.
- print nesting_model(self_models=self_models, model=model)
self.assertEqual(nesting_model(self_models=self_models,
model=model)[1].model, MODEL_LM63)
+ ## Test MODEL_IT99 model request, when models are CR72.
+ # Define all the models tested in the analysis.
+ self_models = [MODEL_R2EFF, MODEL_NOREX, MODEL_CR72, MODEL_IT99]
+
+ # Define which current model is selected
+ model = MODEL_IT99
+
+ # Test the return.
+ self.assertEqual(nesting_model(self_models=self_models,
model=model)[1].model, MODEL_CR72)
+
+ ## Test MODEL_CR72 model request, when models are MODEL_IT99.
+ # Define all the models tested in the analysis.
+ self_models = [MODEL_R2EFF, MODEL_NOREX, MODEL_IT99, MODEL_CR72]
+
+ # Define which current model is selected
+ model = MODEL_CR72
+
+ # Test the return.
+ self.assertEqual(nesting_model(self_models=self_models,
model=model)[1].model, MODEL_IT99)
def test_nesting_model_cpmg_mmq(self):
r24988 - in /branches/R1_fitting: specific_analyses/relax_disp/ test_suite/unit_tests/_specific_analyses/_relax_disp/