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Changes
User function link fixes.
* 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 frame order auto-analysis. The 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_model .html frame_order.pdb_model] and [http://www.nmr-relax.com/manual/frame_order_simulationframe_order_simulate.html frame_order.simulation simulate] user function] 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 rdc.corr_plot and 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 frame order auto-analysis. The sections now use the lib.text.formatting subtitle() and subsubtitle() functions to distinguish them from the output of all the user functions, which use the section(), subsection() and subsubsection() functions. New sectioning printouts have been added for clarity.
* Possible fixes for the 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.