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Switch to the {{gna link}}, {{gna task link}}, and {{gna task url}} templates to remove dead Gna! links.
* Updated all of the [http://www.nmr-relax.com/manual/] links in the [http://www.nmr-relax.com/api/3.3/lib.dispersion-module.html lib.dispersion package]. This is for all of the individual model pages in the HTML manual.
* Improved the description for the [http://www.nmr-relax.com/manual/relax_fit_select_model.html relax_fit.select_model user function].
* A small code rearrangement to create the [http://www.nmr-relax.com/api/3.3/target_functions.relax_fit_wrapper-module.html new target_functions.relax_fit_wrapper module]. This follows from the idea at [https://{{gna.org/task/?url|7415#comment6]|comment=6}}. The *func_wrapper() functions of the [http://www.nmr-relax.com/api/3.3/specific_analyses.relax_fit.optimisation-module.html specific_analyses.relax_fit.optimisation module] have been shifted out and converted to class methods to create the [http://www.nmr-relax.com/api/3.3/target_functions.relax_fit_wrapper-module.html target_functions.relax_fit_wrapper module]. This will be used to abstract away all of the C code, and will form the infrastructure to allow new exponential curves to be quickly supported. The modules of the [http://www.nmr-relax.com/api/3.3/specific_analyses.relax_fit-module.html specific_analyses.relax_fit] and [http://www.nmr-relax.com/api/3.3/specific_analyses.relax_disp-module.html specific_analyses.relax_disp] packages now import the [http://www.nmr-relax.com/api/3.3/target_functions.relax_fit_wrapper.Relax_fit_opt-class.html target_functions.relax_fit_wrapper.Relax_fit_opt target function class] and use that instead.
* Shifted the C code Jacobian functions into the new [http://www.nmr-relax.com/api/3.3/target_functions.relax_fit_wrapper-module.html target_functions.relax_fit_wrapper module]. This shifts all of the relaxation curve-fitting C code access into the [http://www.nmr-relax.com/api/3.3/target_functions.relax_fit_wrapper-module.html target_functions.relax_fit_wrapper module] so that the rest of relax does not need to handle the C code. This will allow for new models to be very easily supported, as they would all be set up in this target function module.
* Updated the formula in the description of the [http://www.nmr-relax.com/manual/relax_fit_select_model.html relax_fit.select_model user function].
* Modified the printouts from the [http://www.nmr-relax.com/manual/structure_write_pdb.html structure.write_pdb user function] if models are present. Instead of printing out 'MODEL', 'ATOM, HETATM, TER' and 'ENDMDL' for each model, the header 'MODEL records' is printed followed by a single '.' character for each model. For structures with many models, this results in a huge speed up of the user function which is strongly limited by how fast the terminal can display text.
* Added the synthetic saturation-recovery data in the form of Sparky peak lists to the repository. These files were created by Andras Boeszoermenyi. They are attached to [http://{{gna.org/task/?7415 task #link|7415] }} as the [http://{{gna link|url=gna.org/task/download.php?file_id=22989 |text=Relax_sym.tar.gz file]}}. They were created for the formula I<sub>0</sub>(1 - e<sup>−R<sub>1</sub>.t</sup>) where I<sub>0</sub> = 1000000000000000.00 and R<sub>1</sub> = 0.5. These files and the associated relax_sim.py script (which needs to be updated for the latest relax version) could form the basis of a basic system test. This system test could then be used to implement the saturation-recovery experiment equations in relax.
* Updated the [http://www.nmr-relax.com/api/3.3/target_functions-module.html target_functions package] __all__ list to include the relax_fit* modules.
* Modified the package __all__ list checking unit test to accept *.so C modules.
* Removal of an unused import in the relax_fit_zooming_grid.py system test script.
* Added a system test script for testing the saturation-recovery R<sub>1</sub> experiment. This was created by Andras Boeszoermenyi. The file was taken from the [https://{{gna link|url=gna.org/task/download.php?file_id=22997 |text=saturation_recovery.tar.gaz file] }} attached to [http://{{gna.org/task/?7415 task #link|7415]}}. The only difference with the original script is that the [http://www.nmr-relax.com/manual/grace_view.html grace.view user function] calls have been removed, as these cannot be used in a system test.
* Modified the relax_fit_saturation_recovery.py script to work as a system test. This is the script from Andras Boeszoermenyi. The change follows from the discussion of [http://thread.gmane.org/gmane.science.nmr.relax.devel/7308/focus=7369]. The status.install_path variable is now used to point to the location of the files. The relax data store ds.tmpdir variable is used for outputting all files. And commented out user functions have been deleted.
* Added a copyright notice for Andras Boeszoermenyi for the newly added saturation-recovery R<sub>1</sub> script. This change follows the discussion in the message [http://thread.gmane.org/gmane.science.nmr.relax.devel/7308/focus=7369].
