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)
r24986 - in /branches/R1_fitting: auto_analyses/ specific_analyses/relax_disp/ test_suite/unit_tests/_specific_analyses/_rel...