Hi Troels, If you look at target_functions.relax_disp, you will see the self.inv_relax_times structure created in the __init__() method. Have a look at func_mmq_CR72() for an example of its usage. This should speed things up a little - I created it to squeeze a little bit of speed out of the other dispersion models which use 1/relax_time.
Regards, Edward On 5 May 2014 20:18, <[email protected]> wrote: > Author: tlinnet > Date: Mon May 5 20:18:50 2014 > New Revision: 22982 > > URL: http://svn.gna.org/viewcvs/relax?rev=22982&view=rev > Log: > Replaced Trel with relax_time, to use relax parameter conventions. > > sr #3154: (https://gna.org/support/?3154) Implementation of Baldwin (2014) > B14 model - 2-site exact solution model for all time scales. > > This follows the tutorial for adding relaxation dispersion models at: > http://wiki.nmr-relax.com/Tutorial_for_adding_relaxation_dispersion_models_to_relax#Debugging > > Modified: > trunk/lib/dispersion/b14.py > > Modified: trunk/lib/dispersion/b14.py > URL: > http://svn.gna.org/viewcvs/relax/trunk/lib/dispersion/b14.py?rev=22982&r1=22981&r2=22982&view=diff > ============================================================================== > --- trunk/lib/dispersion/b14.py (original) > +++ trunk/lib/dispersion/b14.py Mon May 5 20:18:50 2014 > @@ -132,7 +132,6 @@ > > # Conversion from relax parameters, to the exact code of Baldwin. > pb = 1 - pA > - Trel = relax_time > > ######################################################################### > ##### Baldwins code. > @@ -142,9 +141,6 @@ > kge = kex * pb > deltaR2 = r20a - r20b > alpha_m = r20a - r20b + kge - keg > - # This is not used > - #nu_cpmg = ncyc/Trel > - #tcp = Trel/(4.0 * ncyc) #time for one free precession element > > ######################################################################### > #get the real and imaginary components of the exchange induced shift > @@ -208,8 +204,8 @@ > > Tog = (1 + y) / 2 + (1 - y) / (2 * v3) * v2pPdN / N > > - # Estimate R2eff. > - Minty = Rpre - ncyc/Trel * arccosh(ex0b.real) - 1/Trel * log(Tog.real) > + # Estimate R2eff. relax_time = Trel. > + Minty = Rpre - ncyc/relax_time * arccosh(ex0b.real) - 1/relax_time * > log(Tog.real) > > # Loop over the time points, back calculating the R2eff values. > for i in range(num_points): > > > _______________________________________________ > 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
