Hi, If you revert the previous commit, this one might need reverting as well.
Cheers, Edward On 6 May 2014 17:22, <[email protected]> wrote: > Author: tlinnet > Date: Tue May 6 17:22:40 2014 > New Revision: 23005 > > URL: http://svn.gna.org/viewcvs/relax?rev=23005&view=rev > Log: > Pretty-up code. Re-ordered logic of r20 parameters, and exchange parameters > in function call. > > 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 > trunk/target_functions/relax_disp.py > > Modified: trunk/lib/dispersion/b14.py > URL: > http://svn.gna.org/viewcvs/relax/trunk/lib/dispersion/b14.py?rev=23005&r1=23004&r2=23005&view=diff > ============================================================================== > --- trunk/lib/dispersion/b14.py (original) > +++ trunk/lib/dispersion/b14.py Tue May 6 17:22:40 2014 > @@ -102,7 +102,7 @@ > from numpy import arccosh, cos, cosh, log, sin, sinh, sqrt, power > > > -def r2eff_B14(r20a=None, r20b=None, pA=None, pB=None, dw=None, kex=None, > k_AB=None, k_BA=None, deltaR2=None, alpha_m=None, ncyc=None, inv_tcpmg=None, > tcp=None, back_calc=None, num_points=None): > +def r2eff_B14(r20a=None, r20b=None, deltaR2=None, alpha_m=None, pA=None, > pB=None, dw=None, kex=None, k_AB=None, k_BA=None, ncyc=None, inv_tcpmg=None, > tcp=None, back_calc=None, num_points=None): > """Calculate the R2eff values for the CR72 model. > > See the module docstring for details. > @@ -112,6 +112,10 @@ > @type r20a: float > @keyword r20b: The R20 parameter value of state B (R2 with no > exchange). > @type r20b: float > + @keyword deltaR2: The difference r20a - r20b. > + @type deltaR2: float > + @keyword alpha_m: The Carver and Richards (1972) alpha_minus short > notation. alpha_m = deltaR2 + k_AB - k_BA = r20a - r20b + k_AB - k_BA. > + @type alpha_m: float > @keyword pA: The population of state A. > @type pA: float > @keyword pB: The population of state B. > @@ -124,10 +128,6 @@ > @type k_AB: float > @keyword k_BA: The rate of exchange from site B to A (rad/s). > @type k_BA: float > - @keyword deltaR2: The difference r20a - r20b. > - @type deltaR2: float > - @keyword alpha_m: The Carver and Richards (1972) alpha_minus short > notation. alpha_m = deltaR2 + k_AB - k_BA = r20a - r20b + k_AB - k_BA. > - @type alpha_m: float > @keyword ncyc: The matrix exponential power array. The number > of CPMG blocks. > @type ncyc: numpy int16, rank-1 array > @keyword inv_tcpmg: The inverse of the total duration of the CPMG > element (in inverse seconds). > > Modified: trunk/target_functions/relax_disp.py > URL: > http://svn.gna.org/viewcvs/relax/trunk/target_functions/relax_disp.py?rev=23005&r1=23004&r2=23005&view=diff > ============================================================================== > --- trunk/target_functions/relax_disp.py (original) > +++ trunk/target_functions/relax_disp.py Tue May 6 17:22:40 2014 > @@ -819,7 +819,7 @@ > aliased_dw = dw_frq > > # Back calculate the R2eff values. > - r2eff_B14(r20a=r20a, r20b=r20b, pA=pA, pB=pB, dw=dw_frq, > kex=kex, k_AB=k_AB, k_BA=k_BA, deltaR2=deltaR2, alpha_m=alpha_m, > ncyc=self.power[ei][mi], inv_tcpmg=self.inv_relax_times[ei][mi], > tcp=self.tau_cpmg[ei][mi], back_calc=self.back_calc[ei][si][mi][0], > num_points=self.num_disp_points[ei][si][mi][0]) > + r2eff_B14(r20a=r20a, r20b=r20b, deltaR2=deltaR2, > alpha_m=alpha_m, pA=pA, pB=pB, dw=dw_frq, kex=kex, k_AB=k_AB, k_BA=k_BA, > ncyc=self.power[ei][mi], inv_tcpmg=self.inv_relax_times[ei][mi], > tcp=self.tau_cpmg[ei][mi], back_calc=self.back_calc[ei][si][mi][0], > num_points=self.num_disp_points[ei][si][mi][0]) > > # For all missing data points, set the back-calculated > value to the measured values so that it has no effect on the chi-squared > value. > for di in range(self.num_disp_points[ei][si][mi][0]): > > > _______________________________________________ > 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
