relax SVN archive

Redesign and expansion of the nested model parameter copying in the frame order auto-analysis.

The nested parameter protocol used to allow the analysis to complete in under 1,000,000 years was no
longer functional due to the switching to the axis alpha parameter to decrease parameter number and
redundancy. The copying of the average domain position for the free rotor models was also incorrect
as the dropping of the alpha Euler angle cause the translation parameters and beta and gamma angles
to change drastically.

The new protocol has been split into four methods for the average domain position, the pivot point,
the motional eigenframe and the parameters of ordering. These use the fact that the free rotor and
torsionless models are the two extrema of the models where the torsion angle is restricted. The
pivot copying is a new addition.

Fix for the Frame_order.test_cam_pseudo_ellipse_free_rotor system test.

This is for the change of the X and Y cone opening angles.

Updated the frame order optimisation results for the CaM torsionless, pseudo-ellipse test data.

The optimisation in the frame_order.py is now of higher precision with the number of Sobol' numeric
integration points significantly increased, especially for the Monte Carlo simulations. The new
frame order representation files have been added to the repository, as well as the intermediate
state files.

Updated the frame order optimisation results for the CaM free rotor, pseudo-ellipse test data.

The optimisation in the frame_order.py is now of higher precision with the number of Sobol' numeric
integration points significantly increased, especially for the Monte Carlo simulations. The new
frame order representation files have been added to the repository, as well as the intermediate
state files.

Created a unit test for the pipe_control.mol_res_spin.format_info_full() function.

This comprehensive test covers all input argument combinations.

Fix for the pipe_control.mol_res_spin.format_info_full() function, it now actually returns the string.

Added keywords to be used to backend function of Ãplot_disp_curves.

The keyword 'y_axis', determine which y data to be plotted on this axis.
The keyword 'x_axis', determine which x data to be plotted on this axis.
extend_hz, determine how far to extend interpolated CPMG frequency or spin-Ãlock field strenght.
extend_ppm, determine how far to extend interpolated spin-lock offsets.
interpolate, determine to interpolate dispersion points, or offset.

sr #3124(https://gna.org/support/?3124): Grace graphs production for R1rho analysis with R2_eff as function of Omega_eff.
sr #3138(https://gna.org/support/?3138): Interpolating theta through spin-lock offset [Omega], rather than spin-lock field strength [w1].

Replaced the spin info string in the title of graphs, with the new function method.

sr #3124(https://gna.org/support/?3124): Grace graphs production for R1rho analysis with R2_eff as function of Omega_eff.
sr #3138(https://gna.org/support/?3138): Interpolating theta through spin-lock offset [Omega], rather than spin-lock field strength [w1].

Added function to return spin info, and a function to return a spin string for graphs.

sr #3124(https://gna.org/support/?3124): Grace graphs production for R1rho analysis with R2_eff as function of Omega_eff.
sr #3138(https://gna.org/support/?3138): Interpolating theta through spin-lock offset [Omega], rather than spin-lock field strength [w1].

Ensured production of plotting r1rho r2 as function of effective field w_eff, when spin.isotope is not present.

The offset in radians would be set to 0.0 instead.

This can happen when it is 'exp_fit' model curve fitting.

sr #3124(https://gna.org/support/?3124): Grace graphs production for R1rho analysis with R2_eff as function of Omega_eff.
sr #3138(https://gna.org/support/?3138): Interpolating theta through spin-lock offset [Omega], rather than spin-lock field strength [w1].