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Relax 3.3.0

1,200 bytes added, 08:25, 8 September 2014
m
Formatting of Omega and w1.
* Used the new class function: get_back_calc(), to get the data in the right structures when interpolating for graphs. [https://gna.org/task/?7807 Task #7807]: Speed-up of dispersion models for clustered analysis.
* Removed superfluous check, after the returned data is now in right structure. [https://gna.org/task/?7807 Task #7807]: Speed-up of dispersion models for clustered analysis.
* Made changes to the dir argument of system test Relax_disp.test_r1rho_kjaergaard. This is to prepare for: [https://gna.org/support/?3124 sr #3124]: Grace graphs production for R<sub>1&rho;</sub> analysis with R<sub>2eff</sub> as function of &Omega;<sub>eff</sub> and [https://gna.org/support/?3138 sr #3138]: Interpolating theta through spin-lock offset [&Omega];, rather than spin-lock field strength [w1]&omega;<sub>1</sub>. This is also to test an expected bug, if R<sub>1</sub> is not loaded. [https://gna.org/task/?7807 Task #7807]: Speed-up of dispersion models for clustered analysis.
* The relaxation dispersion target function can now be set up when the optional frqs_H argument is None. This allows the profiling scripts to run.
* More stability fixes for the relaxation dispersion target function initialisation. The target function can now be initialised when the r1 and chemical_shift arguments are None.
* Expansion of the 'to do' section of the dispersion chapter of the manual.
* Editing of the 'to do' section of the dispersion chapter of the manual.
* Split out the interpolating in specific_analyses.relax_disp.data.plot_disp_curves() into separate function. This is to prepare for a interpolating function for spin-lock offset rather than spin-lock field strength for R<sub>1&rho;</sub> models. [https://gna.org/support/?3124 Sr #3124]: Grace graphs production for R* Split out the interpolating in specific_analyses.relax_disp.data.plot_disp_curves() into separate function. This is to prepare for a interpolating function for spin-lock offset rather than spin-lock field strength for R<sub>1&rho;</sub> models. [https://gna.org/support/?3124 Sr #3124]: Grace graphs production for R
* Created the Bruker.test_bug_22411_T1_read_fail system test. This is to catch [https://gna.org/bugs/?22411 bug #22411] as reported by Olena Dobrovolska.
* Fix for system test Relax_disp.test_kteilum_fmpoulsen_makke_check_graphs where minimise has been extended with execute.
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