relax SVN archive

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

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].

Replaced repeated calculation of rotating frame parameters to use function in lib/nmr.py.

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 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].