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* Fix for the frame order optimisation target setup printouts. The 'Numerical integration: ' printout was fixed to 'Quasi-random Sobol' sequence'. This now changes to 'SciPy quadratic integration' if cdp.quad_int is set. The text 'PCS' has also been added for clarification.
* Removed the call to the [http://www.nmr-relax.com/manual/frame_order_simulate.html frame_order.simulate user function] for the rigid model in the auto-analysis. There is no motion to simulate in the rigid model, so the [http://www.nmr-relax.com/manual/frame_order_simulate.html frame_order.simulate user function] has no use.
* Improvements, fixes, and expansion of the results and data visualisation file creation. This is for the [http://www.nmr-relax.com/api/4.0/auto_analyses.frame_order-module.html frame order auto-analysis]. The [http://www.nmr-relax.com/api/4.0/auto_analyses.frame_order.Frame_order_analysis-class.html#results_output visualisation() method has been renamed to results_output()] and its scope expanded. The function previously only called the [http://www.nmr-relax.com/manual/frame_order.pdb_modelframe_order_pdb_model.html frame_order.pdb_model] and [http://www.nmr-relax.com/manual/frame_order_simulate.html frame_order.simulate] user functions for creating PDB representations of the frame order motions and performing a pseudo-Brownian frame order dynamics simulate. This has been extended to also call the [http://www.nmr-relax.com/manual/results_write.html results.write user function] for outputting results files and the [http://www.nmr-relax.com/manual/rdc_corr_plot.html rdc.corr_plot] and [http://www.nmr-relax.com/manual/pcs_corr_plot.html pcs.corr_plot] for generating correlation plots of the measured vs. back-calculated data. All parts of the auto-analysis were output files are required now call this method. This ensures that all output files are always created, and are placed into the correct directories.
* Improvements for the sectioning printouts for the [http://www.nmr-relax.com/api/4.0/auto_analyses.frame_order-module.html frame order auto-analysis]. The sections now use the [http://www.nmr-relax.com/api/4.0/lib.text.sectioning-module.html lib.text.formatting] [http://www.nmr-relax.com/api/4.0/lib.text.sectioning-module.html#subtitle subtitle()] and [http://www.nmr-relax.com/api/4.0/lib.text.sectioning-module.html#subsubtitle subsubtitle()] functions to distinguish them from the output of all the user functions, which use the [http://www.nmr-relax.com/api/4.0/lib.text.sectioning-module.html#section section()], [http://www.nmr-relax.com/api/4.0/lib.text.sectioning-module.html#subsection subsection()] and [http://www.nmr-relax.com/api/4.0/lib.text.sectioning-module.html#subsubsection subsubsection()] functions. New sectioning printouts have been added for clarity.
* Possible fixes for the [http://www.nmr-relax.com/api/4.0/auto_analyses.frame_order-module.html frame order auto-analysis]. This is just in case a user decides to not perform the optimisation starting with a PCS subset. In this case, the analysis will now execute correctly.
