Re: r22835 - /trunk/pipe_control/spectrum.py -- April 23, 2014 - 12:47

Hi Edward.

I see some errors:

The key 'relax_disp.cpmg_frq' does not exist.

it is from this block.

        if status.relax_mode != 'gui' and wx.version() != '2.9.4.1 gtk2 (classic)':
            analysis.peak_intensity.action_relax_disp_cpmg_frq(item=4)
            uf_store['relax_disp.cpmg_frq'].wizard._go_next()
            interpreter.flush()
            analysis.peak_intensity.action_relax_disp_exp_type(item=5)
            uf_store['relax_disp.exp_type'].wizard._go_next()
            interpreter.flush()
            analysis.peak_intensity.action_relax_disp_relax_time(item=0)
            uf_store['relax_disp.relax_time'].wizard._go_next()
            interpreter.flush()
            analysis.peak_intensity.action_spectrometer_frq(item=10)
            uf_store['spectrometer.frequency'].wizard._go_next()
            interpreter.flush()

Best
Troels

2014-04-23 11:29 GMT+02:00 Edward d'Auvergne <edward@xxxxxxxxxxxxx>:

Awesome!  That's exactly the change I would have made.

I would also suggest to try to increase the system test coverage of
this to make sure it works in all cases, as well as to make sure that
any future code refactorisation or expansion doesn't break this.  The
easiest way is to simply add more checks to an already existing test.
But the only one possible is the Relax_disp.test_hansen_trunc_data GUI
test as I mentioned at
http://thread.gmane.org/gmane.science.nmr.relax.devel/5302/focus=5307.
 Would you like to add a couple of self.assertEqual() checks to that
test, just after the peak height error analysis, to make sure that the
code works when variance averaging over different SD values is
preformed?  Such checks would really make the code robust to future
changes.

Cheers,

Edward

On 23 April 2014 10:37,  <tlinnet@xxxxxxxxxxxxx> wrote:
> Author: tlinnet
> Date: Wed Apr 23 10:37:58 2014
> New Revision: 22835
>
> URL: http://svn.gna.org/viewcvs/relax?rev=22835&view=rev
> Log:
> Fix for bug. The variances used to calculated std, should only be taken from those which are defined in the subset.
>
> Regarding bug #21954, (https://gna.org/bugs/index.php?21954) - Order of spectrum.error_analysis is important.
>
> Modified:
>     trunk/pipe_control/spectrum.py
>
> Modified: trunk/pipe_control/spectrum.py
> URL: http://svn.gna.org/viewcvs/relax/trunk/pipe_control/spectrum.py?rev=22835&r1=22834&r2=22835&view=diff
> ==============================================================================
> --- trunk/pipe_control/spectrum.py      (original)
> +++ trunk/pipe_control/spectrum.py      Wed Apr 23 10:37:58 2014
> @@ -183,6 +183,10 @@
>
>          # Loop over all time points.
>          for id in cdp.var_I.keys():
> +            # Only use id's defined in subset
> +            if id not in subset:
> +                continue
> +
>              # Single spectrum (or extraordinarily accurate NMR spectra!).
>              if cdp.var_I[id] == 0.0:
>                  continue
>
>
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