relax SVN archive

Added function to calculate rotating frame paramters for lib/nmr.py.

This function is called several times in specific_analyses/relax_disp/data.py by plotting functions.

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].

Merged revisions 24755-24757 via svnmerge from
svn+ssh://bugman@.../svn/relax/trunk

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r24755 | bugman | 2014-07-25 16:51:16 +0200 (Fri, 25 Jul 2014) | 3 lines

Deleted the ancient optimisation_testing.py script, as this no longer works and is of no use.
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r24756 | bugman | 2014-07-25 16:59:22 +0200 (Fri, 25 Jul 2014) | 3 lines

Some changes as identified by the Python 2 to 3 upgrade script /usr/bin/2to3.
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r24757 | bugman | 2014-07-25 17:12:32 +0200 (Fri, 25 Jul 2014) | 3 lines

Some Python 3 fixes as identified by the 2to3 script.
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Fixes for the CaM free-rotor pseudo-ellipse frame order model test data set.

This is for the constraint 0 <= theta_x <= theta_y <= pi, as the old data was created with theta_x
> theta_y. The new data is also of high quality using 20 million structures and numpy.float128 data
averaging.

Renamed the other function to represent the functionality of returning data in correct xmgrace form.

Also improved the epydoc information, for the return of values.

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].

Renamed function to represent the functionality of returning data in correct xmgrace form.

Also improved the epydoc information, for the return of values.

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].

Corrected the epydoc information for the return_offset_data() function in specific_analyses.relax_disp.data.

The function has been extended to return more data.

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].

Renamed the interpolating function for offset, and improved the epydoc information.

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].

Renamed and improved epydoc information for interpolating fucntion for dispersion values.

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 the spin specific residue name and spin_id to the title of the dispersion plots.

This is handy, since it is often of interest to have this information at hand, when looking through many 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].

Added functionality to plot R1rho R2 as function of effective field w_eff, for the R2eff model.

Also renamed a function, to better reflect is functionality.

The hard-coding of which models to plot, has been removed.
If the exp-type is R1rho, then the plotting will commence.

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].