Re: r8331 - /branches/relax_disp/specific_fns/relax_disp.py -- January 08, 2009 - 10:45

Hi,

I would suggest just calling the index 'result_index'.  The functions
will be different, but back_calc_I() would back-calculate the R2eff
values expected.  It should return a single list of values, maybe
ordered first by the CMPG or R1rho frequencies and then by the
magnetic field strengths.  Because you have in relaxation dispersion
both different CMPG and R1rho frequencies and different spectrometer
frequencies, you will probably need to do a lot of double looping.
This will be more obvious when the system test sets all these values
and tries to minimise.

Regards,

Edward


On Thu, Jan 8, 2009 at 2:08 AM, Sébastien Morin
<sebastien.morin.1@xxxxxxxxx> wrote:
> Hi,
>
> I don't know if this is the good way to do it, but as I plan it, I would
> use different functions whether the user chooses cpmg or r1rho. The
> equivalent of cpmg_frq (for CPMG pulse train frequency in, Hz) would be
> r1rho_strength (for R1rho spin lock strength, in Hz).
>
> Associated to CPMG experiments would be specific equations for fast and
> slow exchange. Other specific functions (also for fast and slow
> exchange) would be associated to R1rho experiments.
>
> I don't know if this separation of concepts is necessary at this point.
>
> What do you think ?
>
> Thanks.
>
>
> Seb  :)
>
>
>
>
> sebastien.morin.1@xxxxxxxxx wrote:
> > Author: semor
> > Date: Thu Jan  8 00:48:34 2009
> > New Revision: 8331
> >
> > URL: http://svn.gna.org/viewcvs/relax?rev=8331&view=rev
> > Log:
> > Changed 'relax_time' instances to 'cpmg_frq'.
> >
> >
> > Modified:
> >     branches/relax_disp/specific_fns/relax_disp.py
> >
> > 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=8331&r1=8330&r2=8331&view=diff
> > ==============================================================================
> > --- branches/relax_disp/specific_fns/relax_disp.py (original)
> > +++ branches/relax_disp/specific_fns/relax_disp.py Thu Jan  8 00:48:34 2009
> > @@ -122,7 +122,7 @@
> >
> >              # Intensity scaling.
> >              elif search('^i', spin.params[i]):
> > -                # Find the position of the first time point.
> > +                # Find the position of the first CPMG pulse train 
> > frequency point.
> >                  pos = cdp.cpmg_frqs.index(min(cdp.cpmg_frqs))
> >
> >                  # Scaling.
> > @@ -135,15 +135,15 @@
> >          return scaling_matrix
> >
> >
> > -    def back_calc(self, spin=None, relax_time_index=None):
> > -        """Back-calculation of peak intensity for the given relaxation 
> > time.
> > -
> > -        @keyword spin:              The spin container.
> > -        @type spin:                 SpinContainer instance
> > -        @keyword relax_time_index:  The index for the desired relaxation 
> > time.
> > -        @type relax_time_index:     int
> > -        @return:                    The peak intensity for the desired 
> > relaxation time.
> > -        @rtype:                     float
> > +    def back_calc(self, spin=None, cpmg_frq_index=None):
> > +        """Back-calculation of peak intensity for the given CPMG pulse 
> > train frequency.
> > +
> > +        @keyword spin:            The spin container.
> > +        @type spin:               SpinContainer instance
> > +        @keyword cpmg_frq_index:  The index for the desired CPMG pulse 
> > train frequency.
> > +        @type cpmg_frq_index:     int
> > +        @return:                  The peak intensity for the desired CPMG 
> > pulse train frequency.
> > +        @rtype:                   float
> >          """
> >
> >          # Alias the current data pipe.
> > @@ -165,7 +165,7 @@
> >          results = back_calc_I()
> >
> >          # Return the correct peak height.
> > -        return results[relax_time_index]
> > +        return results[cpmg_frq_index]
> >
> >
> >      def cpmg_frq(self, frq=0, spectrum_id=None):
> > @@ -239,7 +239,7 @@
> >          # Loop over the spectral time points.
> >          for j in xrange(len(cdp.cpmg_frqs)):
> >              # Back calculate the value.
> > -            value = self.back_calc(spin=spin, relax_time_index=j)
> > +            value = self.back_calc(spin=spin, cpmg_frq_index=j)
> >
> >              # Append the value.
> >              mc_data.append(value)
> >
> >
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