mailRe: Releasing relax version 3.3.5.


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Posted by Edward d'Auvergne on January 20, 2015 - 15:29:
Hi Troels,

If you are happy with the current state of the trunk and you don't
plan on too many more changes for now, just say so and I'll tag relax
3.3.5 (after a bit of testing on different 32 and 64-bit Linux, Mac,
and Windows test machines).

Cheers,

Edward



On 15 January 2015 at 11:09, Edward d'Auvergne <edward@xxxxxxxxxxxxx> wrote:
Well, the error I found is fixed.

Great!  The pseudo-solution I suggested didn't work so well, but the
new test is passing with your code.  I just wasn't sure if it was a
complete solution as the bug report is still open
(https://gna.org/bugs/?23186).


Maybe there is a need, to also test for 2 field data.

That might be useful for sanity purposes, just to make sure relax is
behaving correctly for all dispersion parameter categories.


The code ordinary_least_squares() is not used yet, as I still going back 
and
forth about argumentation for which one to use.
Depending on the statistic book I read, I change my meaning.

Maybe just dump both side-by-side in a new relax library module (i.e.
restore the old one that was deleted).  Then you could compare
performance.  The differences are often due to edge cases, which in
this case may not even be an issue.  Note that statistics books, and
statisticians themselves, have strong opinions and biases based on
their speciality.  So you need to be objective and test for yourself.
So if you dump both into the library, you can use them as you wish, or
forget about them.  You work on the auto-analysis will then be
decoupled from this code, as the linear regression code will be
separated, isolated, independent, and fixed.  This is the entire
purpose of the library and why I created it :)  (see
http://article.gmane.org/gmane.science.nmr.relax.devel/3789).

If a function can operate by itself, having only simple data input and
output and is not reliant on the relax data store, then the aim should
be to shift it into the library to isolate it.  This has the effect of
simplifying the auto-analyses by minimising the amount of code there.
It also simplifies the pipe_control package, as these modules should
only check arguments and manipulate the relax data store.  Migration
of functions to the library is still an ongoing process, but already
since relax 3.0.0 (http://wiki.nmr-relax.com/Relax_3.0.0) the
auto_analyses, data_store, pipe_control, prompt, specific_analyses,
and target_functions packages have been hugely simplified.  This
decoupling is also a great aid for the debugging process due to the
isolation and code simplification.

Cheers,

Edward



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