Re: r25036 - /trunk/specific_analyses/relax_disp/api.py -- August 19, 2014 - 16:55

Hi Edward.

Well, it seemed that my problems was fixed.

I haven't met any problems since then.

There was though an issue, with the test script you just provided.

I could not find any values in the: 'r1rho_prime.out' file.

If I add: 'TP02 R1 fit' to the model list, I get r1.out to also be empty.

I wonder if that was my fix to:
https://gna.org/support/index.php?3121

Best
Troels

2014-08-19 16:36 GMT+02:00 Edward d'Auvergne <edward@xxxxxxxxxxxxx>:
> Hi,
>
> This is a difficult problem as R1 values are normally stored in the
> ri_data dictionary object, the same place that R2 values are stored.
> I don't have an easy solution for this, but future attempts at
> unifying the handling of relaxation data in all analyses will affect
> your current work.  For example the 'r1' parameter here will probably
> be converted into 'ri_data', and the 'ri_data' object set up with a
> special method in the base Parameter_object class.  The 'ri_data'
> object is correctly handled by value.set and grace.write, but the
> current implementation in the model-free parameter object is ugly.
> Does your implementation now work correctly?
>
> Regards,
>
> Edward
>
>
>
> On 15 August 2014 18:54,  <tlinnet@xxxxxxxxxxxxx> wrote:
> > Author: tlinnet
> > Date: Fri Aug 15 18:54:01 2014
> > New Revision: 25036
> >
> > URL: http://svn.gna.org/viewcvs/relax?rev=25036&view=rev
> > Log:
> > Fix in relax_disp API, how to handle the r1_fit parameter type.
> >
> > bug #22470(https://gna.org/bugs/index.php?22470): value.set does not work 
> > for parameter r1_fit.
> >
> > Modified:
> >     trunk/specific_analyses/relax_disp/api.py
> >
> > Modified: trunk/specific_analyses/relax_disp/api.py
> > URL: 
> > http://svn.gna.org/viewcvs/relax/trunk/specific_analyses/relax_disp/api.py?rev=25036&r1=25035&r2=25036&view=diff
> > ==============================================================================
> > --- trunk/specific_analyses/relax_disp/api.py   (original)
> > +++ trunk/specific_analyses/relax_disp/api.py   Fri Aug 15 18:54:01 2014
> > @@ -1001,8 +1001,29 @@
> >                  if error:
> >                      obj_name += '_err'
> >
> > +                # Handle the R10 parameters.
> > +                if param[i] in ['r1_fit']:
> > +                    # Loop over the current keys.
> > +                    for exp_type, frq, ei, mi in 
> > loop_exp_frq(return_indices=True):
> > +                        # The parameter key.
> > +                        key = generate_r20_key(exp_type=exp_type, frq=frq)
> > +
> > +                        # Initialise the structure if needed.
> > +                        if not hasattr(spin, obj_name):
> > +                            setattr(spin, obj_name, {})
> > +
> > +                        # Set the value.
> > +                        if index == None:
> > +                            obj = getattr(spin, obj_name)
> > +                            obj[key] = value[i]
> > +
> > +                        # If the index is specified, let it match the 
> > frequency index
> > +                        elif mi == index:
> > +                            obj = getattr(spin, obj_name)
> > +                            obj[key] = value[i]
> > +
> >                  # Handle the R20 parameters.
> > -                if param[i] in PARAMS_R20:
> > +                elif param[i] in PARAMS_R20:
> >                      # Loop over the current keys.
> >                      for exp_type, frq, ei, mi in 
> > loop_exp_frq(return_indices=True):
> >                          # The parameter key.
> >
> >
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> >
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