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Relax 3.2.0

102 bytes added, 16:31, 9 September 2014
More user function HTML manual links.
* Complete rearrangement of the specific analysis code for the steady-state NOE. This brings the code into line with the recent specific analysis code rearrangements, specifically in the specific_analyses.relax_disp package.
* Changed the Noe auto-analysis to properly handle the peak intensity Grace plots. This relates to [https://gna.org/bugs/?21863 bug #21863, the grace.write user function not being able to write ref/sat plots as described in sample script noe.py]. Instead of trying to produce the 'ref.agr' and 'sat.agr' files for the non-existent 'ref' and 'sat' parameters, instead the 'intensities.agr' file is being produced for the peak intensity parameter. The reference and saturated intensities will appear as two graph sets within that plot.
* Redesign and standardisation of the peak intensity data structure throughout all analyses in relax. The various structures 'intensities', 'intensity_err', 'intensity_sim', 'sim_intensity', and 'intensity_bc' have all been renamed. The new structures are called 'peak_intensity', 'peak_intensity_err', 'peak_intensity_sim' and 'peak_intensity_bc'. This allows the structure to be processed as a standard parameter in the specific analysis API. One very visible consequence is that plots of peak intensities, as well as value files, will now have peak intensity errors. For backwards compatibility, the relax data store method _back_compat_hook() has been modified to catch all previous peak intensity object variants and to standardise and rename these to the new object names. As the parameter is now called 'peak_intensity' rather than 'intensities', all calls to the [http://www.nmr-relax.com/manual/grace_write.html grace.write ] and [http://www.nmr-relax.com/manual/value_write.html value.write ] for this parameter have been changed in the auto-analyses, the sample scripts, the test suite and the manual.
* Fix for the Noe.test_noe_analysis system test. The grace plots of the peak intensities now have error bars.
* The legends in Grace plots are now turned on by default, if the legend flags are not specified. The Noe.test_noe_analysis system test has been updated for the change.
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