Re: r22480 - /trunk/specific_analyses/relax_disp/disp_data.py -- March 17, 2014 - 14:11

Hi,

If the angles are to be wrapped between 0 and 2pi, then there is the
lib.geometry.angles.wrap_angles() function.  As a side note, this has
just been shifted into the relax library - it was located previously
in the pipe_control.angles module.  As for the spin-lock phase, anyone
can use any phase, so we shouldn't make any assumptions there with
relax.  The angle should be defined by the orientation of the starting
spin magnetisation and the spin-lock phase.

Regards,

Edward



On 17 March 2014 12:49, Troels Emtekær Linnet <tlinnet@xxxxxxxxxxxxx> wrote:
> Hi Edward.
>
> That would give results between -pi and pi.
>
> Is w_1 always applied in x-phase ?
> Is there anyway to imagine negative values for the field strength?
>
> Best
> Troels
>
> 2014-03-17 12:11 GMT+01:00 Edward d'Auvergne <edward@xxxxxxxxxxxxx>:
> > For a much better solution to this problem, see
> > http://thread.gmane.org/gmane.science.nmr.relax.devel/5119/focus=5214.
> >
> > Regards,
> >
> > Edward
> >
> >
> >
> > On 14 March 2014 23:21,  <tlinnet@xxxxxxxxxxxxx> wrote:
> > > Author: tlinnet
> > > Date: Fri Mar 14 23:21:22 2014
> > > New Revision: 22480
> > >
> > > URL: http://svn.gna.org/viewcvs/relax?rev=22480&view=rev
> > > Log:
> > > Fix for calculating the theta angle describing the tilted rotating frame 
> > > relative to the laboratory, when omega1 / Delta_omega is negative.
> > >
> > > Regarding sr #3124, (https://gna.org/support/index.php?3124) - Grace 
> > > graphs production for R1rho analysis with R2_eff as function of Omega_eff.
> > >
> > > This follows discussion in: 
> > > http://thread.gmane.org/gmane.science.nmr.relax.devel/5205.
> > >
> > > Modified:
> > >     trunk/specific_analyses/relax_disp/disp_data.py
> > >
> > > Modified: trunk/specific_analyses/relax_disp/disp_data.py
> > > URL: 
> > > http://svn.gna.org/viewcvs/relax/trunk/specific_analyses/relax_disp/disp_data.py?rev=22480&r1=22479&r2=22480&view=diff
> > > ==============================================================================
> > > --- trunk/specific_analyses/relax_disp/disp_data.py     (original)
> > > +++ trunk/specific_analyses/relax_disp/disp_data.py     Fri Mar 14 
> > > 23:21:22 2014
> > > @@ -2890,8 +2890,13 @@
> > >                  Domega[ei][si][mi][oi].append(Delta_omega)
> > >                  if Delta_omega == 0.0:
> > >                      theta[ei][si][mi][oi].append(pi / 2.0)
> > > +                # Calculate the theta angle describing the tilted 
> > > rotating frame relative to the laboratory.
> > > +                # If Delta_omega is negative, there follow the symmetry 
> > > of atan, that atan(-x) = - atan(x).
> > > +                # Then it should be: theta = pi + atan(-x) = pi - 
> > > atan(x) = pi - abs(atan( +/- x))
> > > +                elif omega1 / Delta_omega > 0 :
> > > +                    theta[ei][si][mi][oi].append(atan(omega1 / 
> > > Delta_omega))
> > >                  else:
> > > -                    theta[ei][si][mi][oi].append(atan(omega1 / 
> > > Delta_omega))
> > > +                    theta[ei][si][mi][oi].append(pi + atan(omega1 / 
> > > Delta_omega))
> > >
> > >                  # Calculate effective field in rotating frame
> > >                  w_eff = sqrt( Delta_omega*Delta_omega + omega1*omega1 )
> > >
> > >
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