Re: r8472 - in /branches/relax_disp: prompt/relax_disp.py specific_fns/relax_disp.py -- January 29, 2009 - 14:59

Hi,

A list of R2eff to input directly to relax would contain R2eff for every
residue as a function of the cpmg frequency (cpmg_frq).

We could have the data input as for intensities, i.e. a list (i.e. a
file) for every cpmg frequency, such as :

===========  cpmg_frq  ============
spin    R2eff    dR2eff
spin    R2eff    dR2eff
...

This wouldn't need too much effort as it is similar to what is done for
intensities.

Is that what you had in mind ?

Regards,


Séb  :)




Edward d'Auvergne wrote:
> Do you have an example of what this R2eff data will look like for a
> single spin system?
>
> Regards,
>
> Edward
>
>
> On Wed, Jan 28, 2009 at 11:39 PM, Sébastien Morin
> <sebastien.morin.1@xxxxxxxxx> wrote:
>   
> > Hi,
> >
> > relax_data.read() could be modified to allow the reading of r2eff data.
> >
> > I will try to work this out.
> >
> > Do you see any special problem that might arise ?
> >
> > Thanks for the advice !
> >
> >
> > Séb  :)
> >
> >
> >
> > Edward d'Auvergne wrote:
> >     
> > > Hi,
> > >
> > > This user function should be very, very similar to the
> > > relax_data.read() user function.  Actually, do you think that
> > > relax_data.read() could be modified and used instead?
> > >
> > > Regards,
> > >
> > > Edward
> > >
> > >
> > > On Thu, Jan 15, 2009 at 3:04 PM,  <sebastien.morin.1@xxxxxxxxx> wrote:
> > >
> > >       
> > > > Author: semor
> > > > Date: Thu Jan 15 15:04:33 2009
> > > > New Revision: 8472
> > > >
> > > > URL: http://svn.gna.org/viewcvs/relax?rev=8472&view=rev
> > > > Log:
> > > > Started to implement a function for reading 'R2eff' values directly.
> > > >
> > > > This is as proposed in a post at:
> > > > https://mail.gna.org/public/relax-devel/2009-01/msg00020.html
> > > > (Message-id: 
> > > > <7f080ed10901070529s397f7f23p914c820ced4d07f@xxxxxxxxxxxxxx>)
> > > >
> > > > The function does not contain code yet.
> > > >
> > > >
> > > > Modified:
> > > >    branches/relax_disp/prompt/relax_disp.py
> > > >    branches/relax_disp/specific_fns/relax_disp.py
> > > >
> > > > Modified: branches/relax_disp/prompt/relax_disp.py
> > > > URL: 
> > > > http://svn.gna.org/viewcvs/relax/branches/relax_disp/prompt/relax_disp.py?rev=8472&r1=8471&r2=8472&view=diff
> > > > ==============================================================================
> > > > --- branches/relax_disp/prompt/relax_disp.py (original)
> > > > +++ branches/relax_disp/prompt/relax_disp.py Thu Jan 15 15:04:33 2009
> > > > @@ -182,6 +182,22 @@
> > > >         relax_disp_obj.exp_type(exp=exp)
> > > >
> > > >
> > > > +    def r2eff_read(self):
> > > > +        """Function for reading 'R2eff' values directly, instead of 
> > > > calculating them within relax
> > > > +        starting from the intensities.
> > > > +
> > > > +        THIS FUNCTION IS NOT WRITTEN YET.
> > > > +
> > > > +        Keyword Arguments
> > > > +        ~~~~~~~~~~~~~~~~~
> > > > +
> > > > +
> > > > +        Examples
> > > > +        ~~~~~~~~
> > > > +
> > > > +        """
> > > > +
> > > > +
> > > >     def select_model(self, model='fast'):
> > > >         """Function for the selection of the relaxation dispersion curve 
> > > > type.
> > > >
> > > >
> > > > Modified: branches/relax_disp/specific_fns/relax_disp.py
> > > > URL: 
> > > > http://svn.gna.org/viewcvs/relax/branches/relax_disp/specific_fns/relax_disp.py?rev=8472&r1=8471&r2=8472&view=diff
> > > > ==============================================================================
> > > > --- branches/relax_disp/specific_fns/relax_disp.py (original)
> > > > +++ branches/relax_disp/specific_fns/relax_disp.py Thu Jan 15 15:04:33 
> > > > 2009
> > > > @@ -1084,6 +1084,14 @@
> > > >                 continue
> > > >
> > > >
> > > > +    def r2eff_read(self):
> > > > +        """Function for reading 'R2eff' values directly, instead of 
> > > > calculating them within relax
> > > > +        starting from the intensities.
> > > > +
> > > > +        THIS FUNCTION IS NOT WRITTEN YET.
> > > > +        """
> > > > +
> > > > +
> > > >     def return_data(self, spin):
> > > >         """Function for returning the peak intensity data structure.
> > > >
> > > >
> > > >
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