Changes

Jump to navigation Jump to search

Relax 3.3.0

34 bytes removed, 20:25, 16 October 2020
m
Switch to the {{gna task link}} template to remove dead Gna! links.
* Added the R<sub>1</sub> parameter fitting GUI element to the dispersion GUI tab. This is a simple Boolean toggle element that allows the R<sub>1</sub> optimisation to be turned on. The value is passed into the auto-analysis.
* Added the r1_fit argument to the relaxation dispersion auto-analysis. When this is True, the [http://www.nmr-relax.com/manual/relax_disp_r1_fit.html relax_disp.r1_fit user function] will be called to turn R<sub>1</sub> parameter fitting on.
* Added the [http://www.nmr-relax.com/manual/relax_disp_spin_lock_offset.html relax_disp.spin_lock_offset user function] to the dispersion GUI. This has been added to the pop up menu in the spectrum list GUI element, when the relax_disp_flag has been set. It simply mimics the relax_disp.spin_lock_field functionality already present. This follows from [https://{{gna.org/task/?link|7820 task #7820]}}.
* Fix for the [http://www.nmr-relax.com/manual/relax_disp_spin_lock_offset.html relax_disp.spin_lock_offset user function] in the dispersion GUI tab. This is in the spectrum list element popup menu.
* Added the offset column to the spectrum list GUI element for the dispersion analysis. This is to complete [https://{{gna.org/task/?link|7820 task #7820]}}. The spectrum list GUI element add_offset() method has been added to insert the offset column when the relax_disp_flag is set. This is called by the update_data() method to fill and update the GUI element.
* Implemented the GUI test Relax_disp.test_bug_22501_close_all_analyse to catch [https://gna.org/bugs/?22501 bug #22501, 'Close all analyses' raises error].
* Inserted intermediate system test, to profile R<sub>2eff</sub> calculation for R<sub>1&rho;</sub>. System test is: Relax_disp.test_bug_9999_slow_r1rho_r2eff_error_with_mc. This system test actually fails, if one tries to do a grid search. This is related to the R<sub>2eff</sub> values stored as dictionary, and pipe_control.minimise.grid_setup() will fail. The function 'isNaN(values[i])' cannot handle dictionary.
Trusted, Bureaucrats
4,228

edits

Navigation menu