Hi, What would be even more powerful would be to shift this functionality even deeper down and merging the 'No Rex' and 'No Rex R1rho off res' models into one, just as the 'R2eff' model covers both the exponential curve-fitting via minimisation and the two-point approximation by calculation. Rather than switching the model name for the user, the target function can be switched. The 'No Rex R1 fit' model could then be created (by simply renaming 'No Rex R1rho off res R1 fit') and this would then eventually handle CPMG data as well.
The reason for this is simple. In the future, certain interested parties (you probably know who) plans on developing a combined CPMG and R1rho model and on analysing this data together. This will need a 'No Rex' model for statistical comparisons. The splitting of 'No Rex' into two models as is currently coded is incompatible with this. A 'No Rex' model which has a loop over experiment types "for ei in range(self.NE):" switching to the different functionality would be a better solution. Regards, Edward On 20 August 2014 16:09, <[email protected]> wrote: > Author: tlinnet > Date: Wed Aug 20 16:09:40 2014 > New Revision: 25100 > > URL: http://svn.gna.org/viewcvs/relax?rev=25100&view=rev > Log: > Made the GUI selection of models for relaxation dispersion more simple. > > After the implementation of a function which will translate the models, the > 'No Rex' model will be converted to the 'No Rex' model for R1rho > off-resonance. > > Also the corresponding 'R1 fit' model will be chosen istead, if R1 data has > not been loaded. > > This makes the model selection easier in the GUI interface. > > Modified: > trunk/gui/analyses/auto_relax_disp.py > > Modified: trunk/gui/analyses/auto_relax_disp.py > URL: > http://svn.gna.org/viewcvs/relax/trunk/gui/analyses/auto_relax_disp.py?rev=25100&r1=25099&r2=25100&view=diff > ============================================================================== > --- trunk/gui/analyses/auto_relax_disp.py (original) > +++ trunk/gui/analyses/auto_relax_disp.py Wed Aug 20 16:09:40 2014 > @@ -715,8 +715,8 @@ > MODEL_R2EFF, > None, > MODEL_NOREX, > - MODEL_NOREX_R1RHO, > - MODEL_NOREX_R1RHO_FIT_R1, > +# MODEL_NOREX_R1RHO, > +# MODEL_NOREX_R1RHO_FIT_R1, > None, > MODEL_LM63, > MODEL_LM63_3SITE, > @@ -735,15 +735,15 @@ > MODEL_M61, > MODEL_M61B, > MODEL_DPL94, > - MODEL_DPL94_FIT_R1, > +# MODEL_DPL94_FIT_R1, > MODEL_TP02, > - MODEL_TP02_FIT_R1, > +# MODEL_TP02_FIT_R1, > MODEL_TAP03, > - MODEL_TAP03_FIT_R1, > +# MODEL_TAP03_FIT_R1, > MODEL_MP05, > - MODEL_MP05_FIT_R1, > +# MODEL_MP05_FIT_R1, > MODEL_NS_R1RHO_2SITE, > - MODEL_NS_R1RHO_2SITE_FIT_R1, > +# MODEL_NS_R1RHO_2SITE_FIT_R1, > MODEL_NS_R1RHO_3SITE_LINEAR, > MODEL_NS_R1RHO_3SITE, > None, > @@ -756,8 +756,8 @@ > "{%s/%s, %s}" % (r2eff, r1rho, i0), > None, > "{%s, ...}" % (r2), > - "{%s, ...}" % (r2), > - "{%s, %s, ...}" % (r1, r2), > +# "{%s, ...}" % (r2), > +# "{%s, %s, ...}" % (r1, r2), > None, > "{%s, ..., %s, %s}" % (r2, phi_ex, kex), > "{%s, ..., %s, kB, %s, kC}" % (r2, phi_exB, phi_exC), > @@ -776,15 +776,15 @@ > "{%s, ..., %s, %s}" % (r1rho_prime, phi_ex, kex), > "{%s, ..., pA, %s, %s}" % (r1rho_prime, dw, kex), > "{%s, ..., %s, %s}" % (r1rho_prime, phi_ex, kex), > - "{%s, %s, ..., %s, %s}" % (r1, r1rho_prime, phi_ex, kex), > +# "{%s, %s, ..., %s, %s}" % (r1, r1rho_prime, phi_ex, kex), > "{%s, ..., pA, %s, %s}" % (r1rho_prime, dw, kex), > - "{%s, %s, ..., pA, %s, %s}" % (r1, r1rho_prime, dw, kex), > +# "{%s, %s, ..., pA, %s, %s}" % (r1, r1rho_prime, dw, kex), > "{%s, ..., pA, %s, %s}" % (r1rho_prime, dw, kex), > - "{%s, %s, ..., pA, %s, %s}" % (r1, r1rho_prime, dw, kex), > +# "{%s, %s, ..., pA, %s, %s}" % (r1, r1rho_prime, dw, kex), > "{%s, ..., pA, %s, %s}" % (r1rho_prime, dw, kex), > - "{%s, %s, ..., pA, %s, %s}" % (r1, r1rho_prime, dw, kex), > +# "{%s, %s, ..., pA, %s, %s}" % (r1, r1rho_prime, dw, kex), > "{%s, ..., pA, %s, %s}" % (r1rho_prime, dw, kex), > - "{%s, %s, ..., pA, %s, %s}" % (r1, r1rho_prime, dw, kex), > +# "{%s, %s, ..., pA, %s, %s}" % (r1, r1rho_prime, dw, kex), > "{%s, ..., pA, %s, %s, pB, %s, %s}" % (r1rho_prime, dw_AB, kAB, > dw_BC, kBC), > "{%s, ..., pA, %s, %s, pB, %s, %s, %s}" % (r1rho_prime, dw_AB, kAB, > dw_BC, kBC, kAC), > None, > @@ -797,8 +797,8 @@ > "The base model for determining the %s/%s values and errors for all > other models." % (r2eff, r1rho), > None, > "The model for no chemical exchange relaxation.", > - "The model for no chemical exchange being present, for off-resonance > R1rho-type experiments. R1rho = R1 * cos(theta)^2 + r1rho_prime * > sin(theta)^2.", > - "The model for no chemical exchange being present, for off-resonance > R1rho-type experiments whereby R1 is fit. R1rho = R1 * cos(theta)^2 + > r1rho_prime * sin(theta)^2.", > +# "The model for no chemical exchange being present, for > off-resonance R1rho-type experiments. R1rho = R1 * cos(theta)^2 + > r1rho_prime * sin(theta)^2.", > +# "The model for no chemical exchange being present, for > off-resonance R1rho-type experiments whereby R1 is fit. R1rho = R1 * > cos(theta)^2 + r1rho_prime * sin(theta)^2.", > None, > "The original Luz and Meiboom (1963) 2-site fast exchange equation.", > "The original Luz and Meiboom (1963) 3-site fast exchange equation.", > @@ -817,15 +817,15 @@ > "The Meiboom (1961) 2-site fast exchange equation.", > "The Meiboom (1961) 2-site equation for all time scales with pA >> > pB.", > "The Davis, Perlman and London (1994) 2-site fast exchange > equation.", > - "The Davis, Perlman and London (1994) 2-site fast exchange equation, > whereby R1 is fit.", > +# "The Davis, Perlman and London (1994) 2-site fast exchange > equation, whereby R1 is fit.", > "The Trott and Palmer (2002) 2-site equation for all time scales.", > - "The Trott and Palmer (2002) 2-site equation for all time scales, > whereby R1 is fit.", > +# "The Trott and Palmer (2002) 2-site equation for all time scales, > whereby R1 is fit.", > "The Trott, Abergel and Palmer (2003) off-resonance 2-site equation > for all time scales.", > - "The Trott, Abergel and Palmer (2003) off-resonance 2-site equation > for all time scales, whereby R1 is fit.", > +# "The Trott, Abergel and Palmer (2003) off-resonance 2-site equation > for all time scales, whereby R1 is fit.", > "The Miloushev and Palmer (2005) off-resonance 2-site equation for > all time scales.", > - "The Miloushev and Palmer (2005) off-resonance 2-site equation for > all time scales, whereby R1 is fit.", > +# "The Miloushev and Palmer (2005) off-resonance 2-site equation for > all time scales, whereby R1 is fit.", > "The 2-site numerical solution using 3D magnetisation vectors.", > - "The 2-site numerical solution using 3D magnetisation vectors, > whereby R1 is fit.", > +# "The 2-site numerical solution using 3D magnetisation vectors, > whereby R1 is fit.", > "The 3-site linearised numerical solution using 3D magnetisation > vectors.", > "The 3-site numerical solution using 3D magnetisation vectors.", > None, > > > _______________________________________________ > relax (http://www.nmr-relax.com) > > This is the relax-commits mailing list > [email protected] > > To unsubscribe from this list, get a password > reminder, or change your subscription options, > visit the list information page at > https://mail.gna.org/listinfo/relax-commits _______________________________________________ relax (http://www.nmr-relax.com) This is the relax-devel mailing list [email protected] To unsubscribe from this list, get a password reminder, or change your subscription options, visit the list information page at https://mail.gna.org/listinfo/relax-devel
