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Relax 4.1.0

2,668 bytes added, 10:16, 20 February 2019
→‎Bugfixes: Copied the bugfix list from the CHANGES file.
<section begin=bugfixes/>
* Bug fix for the pcs.structural_error user function. The user function now uses a real multivariate normal distribution for sampling atomic positions. The previous random unit vector + univariate Gaussian sampling does not correctly reproduce the multivariate normal distribution.
* Python 3 bugfix for the Relax_disp.test_bug_24601_r2eff_missing_data system test. Tab characters rather than spaces made the system test script unloadable in Python 3.
* Python 3 fixes for the gui.misc module. This is for text formatting using the "x"*num logic. In Python 3, num is often a float so this does not work and an explicit int() function call is required.
* Python 3 fix for the combo list sequence elements. Comparison of integers to values of None are not allowed.
* Bug fix for "Tools->System information" GUI menu item. The user function has been renamed from sys_info to system.sys_info.
* Python >= 3.4 fix by removing an unused types.ListType import.
* Bug fix allowing for spaces in file paths in the GUI open_file() function. This used by the file preview buttons and the results viewer window.
* Minor fixes for the relaxation curve-fitting sample script.
* Another small fix for trp indole 15N spins in the relaxation curve-fitting sample script.
* Fix for the relaxation curve-fitting auto-analysis for when the data pipe name is incorrect. This was simply a missing import.
* Bug fix for the relaxation dispersion GUI analysis when specifying replicated spectra. This is for the Attribute error when the replicated spectra are specified via the spectrum list GUI element rather than the peak intensity loading wizard. The GUI test Relax_disp.test_bug_missing_replicates now passes.
* Bug fix by redesigning the GUI pipe editor pop up menu. The menu now uses IDs to associate menu items with the correct method to call. Previously all menu entries were calling the method of the last menu entry, which was in most cases the pipe switching method. As the pipe deletion method is now properly exposed, the Question dialog was increased in size to be able to see all the text.
* MS Windows fixes for running relax from git and git-svn repositories. Multiple commands on MS Windows need to be separated by "&&" and not ";".
* Bug fix: Removal of '\u' escape sequences from the latex_mf_table.py test suite script docstring. This fixes Bug #1 (https://sourceforge.net/p/nmr-relax/tickets/1/) reported on the new SourceForge infrastructure, and allows the script to be used with Python 3.
* Bug fix for the model number tracking with the addition of new models. If a single model is present without a model number, this is now correctly renumbered.
<section end=bugfixes/>
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