Author: tlinnet
Date: Tue Aug 5 13:52:43 2014
New Revision: 24961
URL: http://svn.gna.org/viewcvs/relax?rev=24961view=rev
Log:
Re-arranged plotting and writing in auto analyses of relax disp, when model is
R2eff.
sr #3135(https://gna.org/support/?3135): Optimisation of the R1 relaxation rate
Author: tlinnet
Date: Tue Aug 5 13:52:27 2014
New Revision: 24952
URL: http://svn.gna.org/viewcvs/relax?rev=24952view=rev
Log:
Removed un-necessary list of models which support a parameter.
This functionality already exists with the dictionary MODEL_PARAMS.
sr #3135(https://gna.org/support
Author: tlinnet
Date: Tue Aug 5 13:52:31 2014
New Revision: 24954
URL: http://svn.gna.org/viewcvs/relax?rev=24954view=rev
Log:
Extended the writing and checking of parameters, to use different file name,
than the parameter name.
sr #3135(https://gna.org/support/?3135): Optimisation of the R1
Author: tlinnet
Date: Tue Aug 5 20:47:24 2014
New Revision: 24969
URL: http://svn.gna.org/viewcvs/relax?rev=24969view=rev
Log:
Split target function of model TAP03, into a calc and two func_TAP03* variants.
One target function will use measured R1 values, while one target function will
use
Author: tlinnet
Date: Tue Aug 5 20:47:27 2014
New Revision: 24970
URL: http://svn.gna.org/viewcvs/relax?rev=24970view=rev
Log:
Split target function of model MP05, into a calc and two func_MP05* variants.
One target function will use measured R1 values, while one target function will
use
Author: tlinnet
Date: Tue Aug 5 20:47:31 2014
New Revision: 24971
URL: http://svn.gna.org/viewcvs/relax?rev=24971view=rev
Log:
Fix for systemtest Relax_disp.test_r1rho_kjaergaard_auto_check_graphs(), where
the special R1rho graphs
is no longer produced for the R2eff models.
sr #3135(https
Author: tlinnet
Date: Tue Aug 5 20:47:22 2014
New Revision: 24968
URL: http://svn.gna.org/viewcvs/relax?rev=24968view=rev
Log:
Fix for error checking covering R1rho off resonance models in target function.
This is for checking presence of chemical shifts and r1.
sr #3135(https://gna.org
Author: tlinnet
Date: Tue Aug 5 20:47:34 2014
New Revision: 24972
URL: http://svn.gna.org/viewcvs/relax?rev=24972view=rev
Log:
Split target function of model ns_r1rho_2site, into a calc and two
func_ns_r1rho_2site* variants.
One target function will use measured R1 values, while one target
Author: tlinnet
Date: Tue Aug 5 20:56:15 2014
New Revision: 24973
URL: http://svn.gna.org/viewcvs/relax?rev=24973view=rev
Log:
Removed num_points to be used in target and lib function of model
ns_r1rho_2site.
sr #3135(https://gna.org/support/?3135): Optimisation of the R1 relaxation rate
Author: tlinnet
Date: Tue Aug 5 21:50:21 2014
New Revision: 24974
URL: http://svn.gna.org/viewcvs/relax?rev=24974view=rev
Log:
Added a variable describing the model year, for aæll relaxation dispersion
models.
This could be used, when trying to write up an intelligent detect+seÃlect
nesting
Author: tlinnet
Date: Mon Aug 11 09:09:18 2014
New Revision: 24977
URL: http://svn.gna.org/viewcvs/relax?rev=24977view=rev
Log:
Added unit test for the dictionary of model years.
sr #3135(https://gna.org/support/?3135): Optimisation of the R1 relaxation rate
for the off-resonance R1rho
Author: tlinnet
Date: Mon Aug 11 09:09:26 2014
New Revision: 24981
URL: http://svn.gna.org/viewcvs/relax?rev=24981view=rev
Log:
Added three new EXP_TYPE variables.
EXP_TYPE_R2EFF = 'R2eff/R1rho'
EXP_TYPE_NOREX = 'No Rex'
EXP_TYPE_NOREX_R1RHO = 'No Rex: R1rho off res'
These are used to add meta
Author: tlinnet
Date: Mon Aug 11 09:09:14 2014
New Revision: 24975
URL: http://svn.gna.org/viewcvs/relax?rev=24975view=rev
Log:
Added initial unit test class for testing
specific_analysis.relax_disp.variables.
There will be more tests added, when a nesting slection function has been
written
Author: tlinnet
Date: Mon Aug 11 09:09:24 2014
New Revision: 24980
URL: http://svn.gna.org/viewcvs/relax?rev=24980view=rev
Log:
Added meta data about EXP_TYPE per model, and made a dictionary for it.
Added unit test for the new dictionary.
sr #3135(https://gna.org/support/?3135): Optimisation
Author: tlinnet
Date: Mon Aug 11 09:09:16 2014
New Revision: 24976
URL: http://svn.gna.org/viewcvs/relax?rev=24976view=rev
Log:
Added dictionary for returning year, when using model as key.
sr #3135(https://gna.org/support/?3135): Optimisation of the R1 relaxation rate
for the off-resonance
Author: tlinnet
Date: Mon Aug 11 09:09:20 2014
New Revision: 24978
URL: http://svn.gna.org/viewcvs/relax?rev=24978view=rev
Log:
Reused the EXP_TYPE_LIST_CPMG and EXP_TYPE_LIST_R1RHO, to combine for the list
EXP_TYPE_LIST, the list of all dispersion experiment types.
sr #3135(https://gna.org
Author: tlinnet
Date: Mon Aug 11 09:09:22 2014
New Revision: 24979
URL: http://svn.gna.org/viewcvs/relax?rev=24979view=rev
Log:
Added a commen EXP_TYPE_CPMG MMQ description for models which handle MMQ.
This is part of adding meta data for each model, making it possible to device a
sensible
Author: tlinnet
Date: Tue Aug 12 10:54:43 2014
New Revision: 24986
URL: http://svn.gna.org/viewcvs/relax?rev=24986view=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
Author: tlinnet
Date: Tue Aug 12 10:54:39 2014
New Revision: 24984
URL: http://svn.gna.org/viewcvs/relax?rev=24984view=rev
Log:
Implemented nesting function, which will determine which model to nest from.
sr #3135(https://gna.org/support/?3135): Optimisation of the R1 relaxation rate
Author: tlinnet
Date: Tue Aug 12 10:54:50 2014
New Revision: 24989
URL: http://svn.gna.org/viewcvs/relax?rev=24989view=rev
Log:
Added a retur from the nesting model, if all fails.
sr #3135(https://gna.org/support/?3135): Optimisation of the R1 relaxation rate
for the off-resonance R1rho
Author: tlinnet
Date: Tue Aug 12 10:54:36 2014
New Revision: 24983
URL: http://svn.gna.org/viewcvs/relax?rev=24983view=rev
Log:
Added meta information about equation type.
The models are dividided into: analytic, silico or numeric.
sr #3135(https://gna.org/support/?3135): Optimisation of the R1
Author: tlinnet
Date: Tue Aug 12 10:54:49 2014
New Revision: 24988
URL: http://svn.gna.org/viewcvs/relax?rev=24988view=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
Author: tlinnet
Date: Tue Aug 12 10:54:54 2014
New Revision: 24991
URL: http://svn.gna.org/viewcvs/relax?rev=24991view=rev
Log:
Improved the printing when nesting parameters from equivalent models.
sr #3135(https://gna.org/support/?3135): Optimisation of the R1 relaxation rate
for the off
Author: tlinnet
Date: Tue Aug 12 10:54:46 2014
New Revision: 24987
URL: http://svn.gna.org/viewcvs/relax?rev=24987view=rev
Log:
Fix for nesting kex, when model is CR72, and analysed models is LM63.
sr #3135(https://gna.org/support/?3135): Optimisation of the R1 relaxation rate
for the off
Author: tlinnet
Date: Tue Aug 12 10:54:41 2014
New Revision: 24985
URL: http://svn.gna.org/viewcvs/relax?rev=24985view=rev
Log:
In auto analysis of relax_disp, started implementing the new nesting function.
sr #3135(https://gna.org/support/?3135): Optimisation of the R1 relaxation rate
Author: tlinnet
Date: Tue Aug 12 10:54:52 2014
New Revision: 24990
URL: http://svn.gna.org/viewcvs/relax?rev=24990view=rev
Log:
Replaced the test, if acquiring the model info to a numerical model from a
analytical model.
sr #3135(https://gna.org/support/?3135): Optimisation of the R1 relaxation
Author: tlinnet
Date: Tue Aug 12 10:55:04 2014
New Revision: 24996
URL: http://svn.gna.org/viewcvs/relax?rev=24996view=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
Author: tlinnet
Date: Tue Aug 12 10:55:03 2014
New Revision: 24995
URL: http://svn.gna.org/viewcvs/relax?rev=24995view=rev
Log:
Added function to sort models before auto analyses.
They are sorted in order:
exp_type: EXP_TYPE_R2EFF, EXP_TYPE_NOREX, EXP_TYPE_NOREX_R1RHO,
EXP_TYPE_CPMG_SQ
Author: tlinnet
Date: Tue Aug 12 10:55:01 2014
New Revision: 24994
URL: http://svn.gna.org/viewcvs/relax?rev=24994view=rev
Log:
Improved the printing of systemtest Relax_disp.test_r1rho_kjaergaard_missing_r1.
sr #3135(https://gna.org/support/?3135): Optimisation of the R1 relaxation rate
Author: tlinnet
Date: Tue Aug 12 10:54:57 2014
New Revision: 24992
URL: http://svn.gna.org/viewcvs/relax?rev=24992view=rev
Log:
Removed unused import of models in auto analyses of relax_disp.
sr #3135(https://gna.org/support/?3135): Optimisation of the R1 relaxation rate
for the off-resonance
Author: tlinnet
Date: Tue Aug 12 11:28:49 2014
New Revision: 24998
URL: http://svn.gna.org/viewcvs/relax?rev=24998view=rev
Log:
Implemented the sorting of models, for auto analyses.
sr #3135(https://gna.org/support/?3135): Optimisation of the R1 relaxation rate
for the off-resonance R1rho
Author: tlinnet
Date: Tue Aug 12 11:28:47 2014
New Revision: 24997
URL: http://svn.gna.org/viewcvs/relax?rev=24997view=rev
Log:
Added more models to be tested in sytemtest
Relax_disp.test_r1rho_kjaergaard_auto.
bug #22461(https://gna.org/bugs/index.php?22461): NS R1rho 2-site_fit_r1 has
Author: tlinnet
Date: Tue Aug 12 15:23:55 2014
New Revision: 24999
URL: http://svn.gna.org/viewcvs/relax?rev=24999view=rev
Log:
Implemented partial reading of results file.
Before reading a results file, it is determined if the file exists.
This makes is possible to read a directory
Author: tlinnet
Date: Tue Aug 12 15:24:00 2014
New Revision: 25001
URL: http://svn.gna.org/viewcvs/relax?rev=25001view=rev
Log:
Modified systemtest Relax_disp.test_r1rho_kjaergaard_missing_r1 to load
previous R2eff values, and not optimise them.
sr #3135(https://gna.org/support/?3135
Author: tlinnet
Date: Tue Aug 12 15:24:05 2014
New Revision: 25003
URL: http://svn.gna.org/viewcvs/relax?rev=25003view=rev
Log:
Fix in back end for relax_disp.parameter_copy, where r2a and r2b should be
skipped, since it has already been copied.
sr #3135(https://gna.org/support/?3135
Author: tlinnet
Date: Tue Aug 12 15:24:07 2014
New Revision: 25004
URL: http://svn.gna.org/viewcvs/relax?rev=25004view=rev
Log:
Locked values in systemtest Relax_disp.test_r1rho_kjaergaard_missing_r1.
This is possible after locking the R2eff values and errors from a previous run.
sr #3135(https
Author: tlinnet
Date: Tue Aug 12 15:24:02 2014
New Revision: 25002
URL: http://svn.gna.org/viewcvs/relax?rev=25002view=rev
Log:
Implemented the copying of the R2eff error, if it exists.
sr #3135(https://gna.org/support/?3135): Optimisation of the R1 relaxation rate
for the off-resonance R1rho
Author: tlinnet
Date: Tue Aug 12 15:23:57 2014
New Revision: 25000
URL: http://svn.gna.org/viewcvs/relax?rev=25000view=rev
Log:
Added keyword to relax_disp auto analysis, if R2eff values should be optimised.
Here optimisation means minimisation and Monte Carlo simulations of the error.
sr #3135
Author: tlinnet
Date: Tue Aug 12 16:54:38 2014
New Revision: 25005
URL: http://svn.gna.org/viewcvs/relax?rev=25005view=rev
Log:
Removed MODEL_NS_CPMG_2SITE_EXPANDED to be analysed in systemtest
test_hansen_cpmg_data_missing_auto_analysis.
The new ordering of models, will make
Author: tlinnet
Date: Tue Aug 12 16:54:41 2014
New Revision: 25006
URL: http://svn.gna.org/viewcvs/relax?rev=25006view=rev
Log:
Lowered the precision of dw for model NS CPMG 2-site expanded, in systemtest
est_hansen_cpmg_data_auto_analysis_numeric.
model NS CPMG 2-site expanded is now analysed
Author: tlinnet
Date: Wed Aug 13 10:46:58 2014
New Revision: 25008
URL: http://svn.gna.org/viewcvs/relax?rev=25008view=rev
Log:
Added front-end description of the 6 new R1 fit R1rho models for
relax_disp.select_model.
sr #3135(https://gna.org/support/?3135): Optimisation of the R1 relaxation
Author: tlinnet
Date: Wed Aug 13 10:46:56 2014
New Revision: 25007
URL: http://svn.gna.org/viewcvs/relax?rev=25007view=rev
Log:
Added GUI text for parameter r1_fit.
sr #3135(https://gna.org/support/?3135): Optimisation of the R1 relaxation rate
for the off-resonance R1rho relaxation dispersion
Author: tlinnet
Date: Wed Aug 13 10:47:02 2014
New Revision: 25010
URL: http://svn.gna.org/viewcvs/relax?rev=25010view=rev
Log:
Added the new R1rho models where R1 is fitted, to the GUI model selection.
sr #3135(https://gna.org/support/?3135): Optimisation of the R1 relaxation rate
for the off
Author: tlinnet
Date: Wed Aug 13 21:30:04 2014
New Revision: 25013
URL: http://svn.gna.org/viewcvs/relax?rev=25013view=rev
Log:
Fix for the linear constraints where parameter r1_fit was written as R1_fit.
sr #3135(https://gna.org/support/?3135): Optimisation of the R1 relaxation rate
Author: tlinnet
Date: Wed Aug 13 21:30:10 2014
New Revision: 25015
URL: http://svn.gna.org/viewcvs/relax?rev=25015view=rev
Log:
Triggering an error in test_r1rho_kjaergaard_missing_r1.
There is a bug fetching the standard value of parameter 'r1_fit'.
File
/Users/tlinnet/software/R1_fitting
Author: tlinnet
Date: Wed Aug 13 21:29:57 2014
New Revision: 25011
URL: http://svn.gna.org/viewcvs/relax?rev=25011view=rev
Log:
Deleted systemtest test_r1rho_kjaergaard_man, since it was no necessary.
sr #3135(https://gna.org/support/?3135): Optimisation of the R1 relaxation rate
for the off
Author: tlinnet
Date: Wed Aug 13 21:30:07 2014
New Revision: 25014
URL: http://svn.gna.org/viewcvs/relax?rev=25014view=rev
Log:
Fix for the numbers of parameters not getting counted correct.
sr #3135(https://gna.org/support/?3135): Optimisation of the R1 relaxation rate
for the off-resonance
Author: tlinnet
Date: Wed Aug 13 21:30:00 2014
New Revision: 25012
URL: http://svn.gna.org/viewcvs/relax?rev=25012view=rev
Log:
Deleted un-used script files in data folder for Kjaergaard_et_al_2013.
sr #3135(https://gna.org/support/?3135): Optimisation of the R1 relaxation rate
for the off
Author: tlinnet
Date: Wed Aug 13 21:56:08 2014
New Revision: 25016
URL: http://svn.gna.org/viewcvs/relax?rev=25016view=rev
Log:
Removed un-used scripts in folder of Kjaergaard et al., 2013.
sr #3135(https://gna.org/support/?3135): Optimisation of the R1 relaxation rate
for the off-resonance
Author: tlinnet
Date: Thu Aug 14 10:44:11 2014
New Revision: 25018
URL: http://svn.gna.org/viewcvs/relax?rev=25018view=rev
Log:
Initialized merge tracking via svnmerge with revisions 1-24915 from
svn+ssh://tlin...@svn.gna.org/svn/relax/trunk
Modified:
branches/R1_fitting/ (props changed
Author: tlinnet
Date: Thu Aug 14 10:53:34 2014
New Revision: 25019
URL: http://svn.gna.org/viewcvs/relax?rev=25019view=rev
Log:
Initialized merge tracking via svnmerge with revisions 1-24916 from
svn+ssh://tlin...@svn.gna.org/svn/relax/branches/R1_fitting
Modified:
trunk/ (props changed
Author: tlinnet
Date: Thu Aug 14 10:57:15 2014
New Revision: 25020
URL: http://svn.gna.org/viewcvs/relax?rev=25020view=rev
Log:
Merged revisions 24917-25017 via svnmerge from
svn+ssh://tlin...@svn.gna.org/svn/relax/branches/R1_fitting
r24917 | tlinnet | 2014-08-02 15:27:38 +0200 (Sat
Author: tlinnet
Date: Thu Aug 14 10:58:27 2014
New Revision: 25021
URL: http://svn.gna.org/viewcvs/relax?rev=25021view=rev
Log:
Removed merge tracking for svnmerge for
svn+ssh://tlin...@svn.gna.org/svn/relax/branches/R1_fitting
Modified:
trunk/ (props changed)
Propchange: trunk
Author: tlinnet
Date: Thu Aug 14 11:13:30 2014
New Revision: 25022
URL: http://svn.gna.org/viewcvs/relax?rev=25022view=rev
Log:
Removed triggering an error in test_r1rho_kjaergaard_missing_r1.
There is a bug fetching the standard value of parameter 'r1_fit'.
Modified:
trunk/test_suite
Author: tlinnet
Date: Thu Aug 14 11:13:32 2014
New Revision: 25023
URL: http://svn.gna.org/viewcvs/relax?rev=25023view=rev
Log:
Fix for systemtest Relax_disp.test_r1rho_kjaergaard_missing_r1, running on 64
bit system.
Modified:
trunk/test_suite/system_tests/relax_disp.py
Modified: trunk
Author: tlinnet
Date: Fri Aug 15 15:11:06 2014
New Revision: 25026
URL: http://svn.gna.org/viewcvs/relax?rev=25026view=rev
Log:
Inserted Latex bibliography for reference to Linear Constraints of the exchange
rate.
Modified:
trunk/docs/latex/bibliography.bib
Modified: trunk/docs/latex
Author: tlinnet
Date: Fri Aug 15 15:11:03 2014
New Revision: 25025
URL: http://svn.gna.org/viewcvs/relax?rev=25025view=rev
Log:
Small fix for systemtest, where precision is lowered on digit after altering
the linear constraints.
Modified:
trunk/test_suite/system_tests/relax_disp.py
Author: tlinnet
Date: Fri Aug 15 15:11:00 2014
New Revision: 25024
URL: http://svn.gna.org/viewcvs/relax?rev=25024view=rev
Log:
Modified the Linear Constraints for the exchange rates.
For CPMG, the maximum kex should be 10^4, and for R1rho it should be 10^5.
This is altered from the value of 10
Author: tlinnet
Date: Fri Aug 15 15:11:09 2014
New Revision: 25027
URL: http://svn.gna.org/viewcvs/relax?rev=25027view=rev
Log:
Modification to the relax manual, regarding the Linear Constraints for the
exchange rate.
Modified:
trunk/docs/latex/dispersion.tex
Modified: trunk/docs/latex
Author: tlinnet
Date: Fri Aug 15 15:25:59 2014
New Revision: 25028
URL: http://svn.gna.org/viewcvs/relax?rev=25028view=rev
Log:
Equation fix for $kex$ in manual.
Modified:
trunk/docs/latex/dispersion.tex
Modified: trunk/docs/latex/dispersion.tex
URL:
http://svn.gna.org/viewcvs/relax/trunk
Author: tlinnet
Date: Fri Aug 15 16:53:20 2014
New Revision: 25030
URL: http://svn.gna.org/viewcvs/relax?rev=25030view=rev
Log:
Added systemtest: Relax_disp.test_bug_22477_grace_write_k_AB_mixed_analysis and
data.
This is for bug:
bug #22477(https://gna.org/bugs/?22477): Not possible to perform
Author: tlinnet
Date: Fri Aug 15 18:53:59 2014
New Revision: 25035
URL: http://svn.gna.org/viewcvs/relax?rev=25035view=rev
Log:
Setup a unit test for the value.set functionality for param r1_fit.
bug #22470(https://gna.org/bugs/index.php?22470): value.set does not work for
parameter r1_fit
Author: tlinnet
Date: Fri Aug 15 18:54:01 2014
New Revision: 25036
URL: http://svn.gna.org/viewcvs/relax?rev=25036view=rev
Log:
Fix in relax_disp API, how to handle the r1_fit parameter type.
bug #22470(https://gna.org/bugs/index.php?22470): value.set does not work for
parameter r1_fit
Author: tlinnet
Date: Fri Aug 15 18:54:03 2014
New Revision: 25037
URL: http://svn.gna.org/viewcvs/relax?rev=25037view=rev
Log:
Modified systemrest Relax_disp.test_r1rho_kjaergaard_missing_r1 to use
GRID_INC=None, and thereby speeding up the analysis.
bug #22470(https://gna.org/bugs/index.php
Author: tlinnet
Date: Fri Aug 15 18:53:56 2014
New Revision: 25034
URL: http://svn.gna.org/viewcvs/relax?rev=25034view=rev
Log:
Added the relax_disp pipe type to be setup for unit tests of value function.
Modified:
trunk/test_suite/unit_tests/value_testing_base.py
Modified: trunk/test_suite
Author: tlinnet
Date: Fri Aug 15 18:53:54 2014
New Revision: 25033
URL: http://svn.gna.org/viewcvs/relax?rev=25033view=rev
Log:
Set the default value of r1_fit to 5.0.
Modified:
trunk/specific_analyses/relax_disp/parameter_object.py
Modified: trunk/specific_analyses/relax_disp
Author: tlinnet
Date: Fri Aug 15 20:30:44 2014
New Revision: 25038
URL: http://svn.gna.org/viewcvs/relax?rev=25038view=rev
Log:
Added to systemtest a count of number of headers and values, when issuing a
value.write().
sr #3121(https://gna.org/support/?3121): Support request for replacing space
Author: tlinnet
Date: Fri Aug 15 20:30:47 2014
New Revision: 25039
URL: http://svn.gna.org/viewcvs/relax?rev=25039view=rev
Log:
Fix for replacing spaces with _ in header files.
sr #3121(https://gna.org/support/?3121): Support request for replacing space in
header files for the value.write
Author: tlinnet
Date: Mon Aug 18 10:13:57 2014
New Revision: 25040
URL: http://svn.gna.org/viewcvs/relax?rev=25040view=rev
Log:
Fix for comment, which mentions R2 parameter, when it relates to R1 fit.
Modified:
trunk/specific_analyses/relax_disp/parameters.py
Modified: trunk
Author: tlinnet
Date: Mon Aug 18 10:53:32 2014
New Revision: 25041
URL: http://svn.gna.org/viewcvs/relax?rev=25041view=rev
Log:
Replaced variable name: MODEL_PARAM_INV_RELAX_TIMES with
MODEL_LIST_INV_RELAX_TIMES,
to match all of the other MODEL_LIST_* variables.
Also added a newline to end
Author: tlinnet
Date: Mon Aug 18 11:04:13 2014
New Revision: 25042
URL: http://svn.gna.org/viewcvs/relax?rev=25042view=rev
Log:
Replaced remaining variable names: MODEL_PARAM_* with MODEL_LIST_*, to match
all of the other MODEL_LIST_* variables.
Modified:
trunk/specific_analyses/relax_disp
Author: tlinnet
Date: Mon Aug 18 11:11:56 2014
New Revision: 25043
URL: http://svn.gna.org/viewcvs/relax?rev=25043view=rev
Log:
Space fix in the import of variables.
Modified:
trunk/target_functions/relax_disp.py
Modified: trunk/target_functions/relax_disp.py
URL:
http://svn.gna.org
Author: tlinnet
Date: Mon Aug 18 13:09:42 2014
New Revision: 25044
URL: http://svn.gna.org/viewcvs/relax?rev=25044view=rev
Log:
Renamed R1rho off resonance models where R1 is fitted.
This removes the underscore.
This is a better representation presented to the user, for example in the GUI
model
Author: tlinnet
Date: Mon Aug 18 13:41:26 2014
New Revision: 25045
URL: http://svn.gna.org/viewcvs/relax?rev=25045view=rev
Log:
Renamed the parameter r1_fit to r1.
This naming fits better to all other parameters.
Modified:
trunk/auto_analyses/relax_disp.py
trunk/gui/analyses
Author: tlinnet
Date: Mon Aug 18 13:50:26 2014
New Revision: 25046
URL: http://svn.gna.org/viewcvs/relax?rev=25046view=rev
Log:
Fix for correct English, replacing where with whereby.
Modified:
trunk/gui/analyses/auto_relax_disp.py
trunk/specific_analyses/relax_disp/variables.py
trunk
Author: tlinnet
Date: Mon Aug 18 14:21:01 2014
New Revision: 25047
URL: http://svn.gna.org/viewcvs/relax?rev=25047view=rev
Log:
Split the unit test of specific_analyses.relax_disp.checks.get_times() into its
own unit test file.
Added:
trunk/test_suite/unit_tests/_specific_analyses
Author: tlinnet
Date: Mon Aug 18 16:20:33 2014
New Revision: 25048
URL: http://svn.gna.org/viewcvs/relax?rev=25048view=rev
Log:
Added a check function, what will determine if R1 data is missing for a model
to analyse.
Also added corresponding unit tests, to test the functionality.
Modified
Author: tlinnet
Date: Mon Aug 18 16:20:35 2014
New Revision: 25049
URL: http://svn.gna.org/viewcvs/relax?rev=25049view=rev
Log:
Modified in documentation, that the No Rex model have one chemical exchange
site. Namely itself.
Modified:
trunk/docs/latex/dispersion_models.tex
Modified: trunk
Author: tlinnet
Date: Mon Aug 18 16:43:37 2014
New Revision: 25050
URL: http://svn.gna.org/viewcvs/relax?rev=25050view=rev
Log:
Copied variables.py to model.py.
There should not exist any functions in variables.py.
variables.py should only consist of hardcoded variables, and the functions
Author: tlinnet
Date: Mon Aug 18 17:43:06 2014
New Revision: 25051
URL: http://svn.gna.org/viewcvs/relax?rev=25051view=rev
Log:
Parted the file of variables.py into model.py.
Modified:
trunk/auto_analyses/relax_disp.py
trunk/specific_analyses/relax_disp/__init__.py
trunk
Author: tlinnet
Date: Mon Aug 18 17:43:10 2014
New Revision: 25053
URL: http://svn.gna.org/viewcvs/relax?rev=25053view=rev
Log:
Added unit tests regarding model.py and its functions.
Added:
trunk/test_suite/unit_tests/_specific_analyses/_relax_disp/test_model.py
Added: trunk/test_suite
Author: tlinnet
Date: Mon Aug 18 17:43:08 2014
New Revision: 25052
URL: http://svn.gna.org/viewcvs/relax?rev=25052view=rev
Log:
Removed the unit test regaring model.py in test_variables.py.
Modified:
trunk/test_suite/unit_tests/_specific_analyses/_relax_disp/test_variables.py
Modified
Author: tlinnet
Date: Mon Aug 18 17:59:16 2014
New Revision: 25055
URL: http://svn.gna.org/viewcvs/relax?rev=25055view=rev
Log:
Fix for unit test, testing how models are sorted before analysis.
This now resembles the previous state.
Modified:
trunk/test_suite/unit_tests/_specific_analyses
Author: tlinnet
Date: Mon Aug 18 17:59:14 2014
New Revision: 25054
URL: http://svn.gna.org/viewcvs/relax?rev=25054view=rev
Log:
Modified, that the order of sorting models for auto_analysis, should be:
Analytical first, then silico, and then numeric.
After this, the year for implementation should
Author: tlinnet
Date: Mon Aug 18 18:35:34 2014
New Revision: 25056
URL: http://svn.gna.org/viewcvs/relax?rev=25056view=rev
Log:
Reverted r25054 and 25055 as this functionality is not properly determined yet.
The command used was:
svn merge -r25055:r25053 .
r25055 | tlinnet | 2014
Author: tlinnet
Date: Mon Aug 18 18:48:33 2014
New Revision: 25057
URL: http://svn.gna.org/viewcvs/relax?rev=25057view=rev
Log:
Removed the auto-sorting of models, when performing auto analysis of Relaxation
dispersion.
This was discussed in:
http://thread.gmane.org/gmane.science.nmr.relax.scm
Author: tlinnet
Date: Mon Aug 18 19:09:13 2014
New Revision: 25059
URL: http://svn.gna.org/viewcvs/relax?rev=25059view=rev
Log:
Re-inserted MODEL_NS_CPMG_2SITE_EXPANDED to be tested in systemtest
test_hansen_cpmg_data_missing_auto_analysis.
Modified:
trunk/test_suite/system_tests
Author: tlinnet
Date: Mon Aug 18 19:09:11 2014
New Revision: 25058
URL: http://svn.gna.org/viewcvs/relax?rev=25058view=rev
Log:
Removing the 'tex'-'kex' conversion, and 'phi_ex' from dw and pA.
This solution is not a proper implementation, but these parameters should
rather be found by Grid
Author: tlinnet
Date: Mon Aug 18 19:37:26 2014
New Revision: 25060
URL: http://svn.gna.org/viewcvs/relax?rev=25060view=rev
Log:
Removed special cases for nesting.
Now following order is determined.
Firs sort completed models into:
EQ_NUMERIC, EQ_SILICO, EQ_ANALYTIC
Then into year, with newest
Author: tlinnet
Date: Mon Aug 18 19:39:27 2014
New Revision: 25061
URL: http://svn.gna.org/viewcvs/relax?rev=25061view=rev
Log:
Removed that any off-resonance R1rho models will learn 'dw' from DPL94.
Modified:
trunk/specific_analyses/relax_disp/model.py
Modified: trunk/specific_analyses
Author: tlinnet
Date: Tue Aug 19 09:39:58 2014
New Revision: 25062
URL: http://svn.gna.org/viewcvs/relax?rev=25062view=rev
Log:
Reverted r25061 and 425060 as this functionality should be re-written.
The command used was:
svn merge -r25061:r25059 .
r25061 | tlinnet | 2014-08-18 19
Author: tlinnet
Date: Tue Aug 19 09:42:43 2014
New Revision: 25063
URL: http://svn.gna.org/viewcvs/relax?rev=25063view=rev
Log:
Moved the nesting lists down in variables file.
Modified:
trunk/specific_analyses/relax_disp/variables.py
Modified: trunk/specific_analyses/relax_disp/variables.py
Author: tlinnet
Date: Tue Aug 19 10:54:10 2014
New Revision: 25066
URL: http://svn.gna.org/viewcvs/relax?rev=25066view=rev
Log:
Added definition and dictionary, for each model, to determine which model they
nest from.
This is better to Hard-code, since it makes it possible to produce a table
Author: tlinnet
Date: Tue Aug 19 11:44:10 2014
New Revision: 25068
URL: http://svn.gna.org/viewcvs/relax?rev=25068view=rev
Log:
Division of unit tests of specific_analyses/relax_disp/model.py into different
functions.
Also added more print information to each tests.
Modified:
trunk
Author: tlinnet
Date: Tue Aug 19 11:44:07 2014
New Revision: 25067
URL: http://svn.gna.org/viewcvs/relax?rev=25067view=rev
Log:
Moved the lookup in dictionarys for model information, into the class of model
info.
Modified:
trunk/specific_analyses/relax_disp/model.py
Modified: trunk
Author: tlinnet
Date: Tue Aug 19 13:31:56 2014
New Revision: 25070
URL: http://svn.gna.org/viewcvs/relax?rev=25070view=rev
Log:
Modified the defined list of nesting, according to thread:
http://thread.gmane.org/gmane.science.nmr.relax.devel/6684
More specific, thread:
http://thread.gmane.org
Author: tlinnet
Date: Tue Aug 19 13:31:54 2014
New Revision: 25069
URL: http://svn.gna.org/viewcvs/relax?rev=25069view=rev
Log:
Added the ordered list of nest models to the class of model information.
Modified:
trunk/specific_analyses/relax_disp/model.py
Modified: trunk/specific_analyses
Author: tlinnet
Date: Tue Aug 19 13:32:00 2014
New Revision: 25072
URL: http://svn.gna.org/viewcvs/relax?rev=25072view=rev
Log:
Modified nesting function, to pull list of possible models from dictionary, and
check if these models are
available in the completed models.
Modified:
trunk
Author: tlinnet
Date: Tue Aug 19 13:31:58 2014
New Revision: 25071
URL: http://svn.gna.org/viewcvs/relax?rev=25071view=rev
Log:
Modified unit test regarding finding correct nested model.
This was discussed in:
http://thread.gmane.org/gmane.science.nmr.relax.devel/6684
More specific, thread:
http
Author: tlinnet
Date: Tue Aug 19 13:32:02 2014
New Revision: 25073
URL: http://svn.gna.org/viewcvs/relax?rev=25073view=rev
Log:
Added initial python script, to help print each model and its corresponding
nested models.
It can be executed by:
relax test_suite/shared_data/dispersion
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