Trusted, Bureaucrats
4,228
edits
Changes
Jump to navigation
Jump to search
More symbol formatting
* Added a catch for the "worst case per peak scenario" option in the PDC. This will now throw a RelaxError, telling the user to go back to the PDC and use the other option.
* Converted the [http://www.nmr-relax.com/manual/pdc_read.html pdc.read user function] back-end to use the \t delimitation of the PDC file for parsing.
* The R1 R<sub>1</sub> value and error are now being read directly from the PDC file.
* Added wrapper methods to the relaxation curve-fitting specific code for the new C modules. These allow the parameter numpy array from minfx to be converted into a Python list prior to sending it into the C module.
* Added a check for the runpy Python module.
* Regularisation of the font formatting in the steady-state NOE GUI tab.
* Shifted the title and subtitle creation for the NOE frame into a base class for all frames to use.
* Regularisation of the fonts, titles, and subtitles in the Rx R<sub>x</sub> auto-analysis frames.
* Created the add_subsubtitle() base class method for creating a sub-sub-title in the GUI.
* Regularised the text in the results tab.
* Updates for the diffusion tensor optimization sample script for the current version of relax.
* Some fixes for the subprocess.Popen() calls on MS Windows.
* Removed event.skip due to conflict with Windows (auto-analysis Rx R<sub>x</sub> fix in the GUI).
* Fixes for the [http://www.nmr-relax.com/manual/spin_copy.html spin.copy] GUI user function element. This still had remnants of the residue.copy window.
* The relax icon is not shown in "Global relax settings" window if running on a Mac. This fixes a bug whereby closing the window causes the GUI to crash.
* Fix for the [http://www.nmr-relax.com/manual/molmol_write.html molmol.write user function] for model-free parameters. Some of the parameters were using the ancient self.relax code path which was eliminated with the redesign of relax 1.2 to 1.3.
* Fixes for the old scripts/optimisation_testing.py script. This was also using the ancient self.relax code path.
* Fix for the molmol macro of the ts τ<sub>s</sub> parameter, the spin container variable was spelt incorrectly.
* Fix for the data.align_tensor.calc_eta() function - divide by zeros are now avoided. When A<sub>zz</sub> is zero, η is now set to NaN.
* Typo fix in the unused and incomplete dfunc function to remove compilation warnings on MS Windows.
* Fix for the data.align_tensor.calc_R() function - divide by zeros are now avoided. When A<sub>a</sub> is zero, A<sub>r</sub> is now set to NaN.
* Fix for the test_opt_constr_bfgs_mt_S2_0_970_te_2048_Rex_0_149 model-free system test on MS Windows. The te τ<sub>e</sub> parameter check was too strict.
* Another divide by zero problem is being caught in the RDC Q-factor code.
* The dipolar_constant() and pcs_constant() functions now catch division by zero problems.
