I think I might have to redo all the dispersion model timings for the up coming relax release :)
Cheers, Edward On 5 August 2014 20:56, <[email protected]> wrote: > Author: tlinnet > Date: Tue Aug 5 20:56:15 2014 > New Revision: 24973 > > URL: http://svn.gna.org/viewcvs/relax?rev=24973&view=rev > Log: > Removed num_points to be used in target and lib function of model > ns_r1rho_2site. > > sr #3135(https://gna.org/support/?3135): Optimisation of the R1 relaxation > rate for the off-resonance R1rho relaxation dispersion models. > > Modified: > branches/R1_fitting/lib/dispersion/ns_r1rho_2site.py > branches/R1_fitting/target_functions/relax_disp.py > > Modified: branches/R1_fitting/lib/dispersion/ns_r1rho_2site.py > URL: > http://svn.gna.org/viewcvs/relax/branches/R1_fitting/lib/dispersion/ns_r1rho_2site.py?rev=24973&r1=24972&r2=24973&view=diff > ============================================================================== > --- branches/R1_fitting/lib/dispersion/ns_r1rho_2site.py (original) > +++ branches/R1_fitting/lib/dispersion/ns_r1rho_2site.py Tue Aug 5 > 20:56:15 2014 > @@ -187,7 +187,7 @@ > return matrix > > > -def ns_r1rho_2site(M0=None, M0_T=None, r1rho_prime=None, omega=None, > offset=None, r1=0.0, pA=None, dw=None, kex=None, spin_lock_fields=None, > relax_time=None, inv_relax_time=None, back_calc=None, num_points=None): > +def ns_r1rho_2site(M0=None, M0_T=None, r1rho_prime=None, omega=None, > offset=None, r1=0.0, pA=None, dw=None, kex=None, spin_lock_fields=None, > relax_time=None, inv_relax_time=None, back_calc=None): > """The 2-site numerical solution to the Bloch-McConnell equation for > R1rho data. > > This function calculates and stores the R1rho values. > @@ -219,17 +219,12 @@ > @type inv_relax_time: numpy float array of rank > [NE][NS][NM][NO][ND] > @keyword back_calc: The array for holding the back calculated > R2eff values. Each element corresponds to one of the CPMG nu1 frequencies. > @type back_calc: numpy float array of rank > [NE][NS][NM][NO][ND] > - @keyword num_points: The number of points on the dispersion > curve, equal to the length of the tcp and back_calc arguments. > - @type num_points: numpy int array of rank [NE][NS][NM][NO] > """ > > # Once off parameter conversions. > pB = 1.0 - pA > k_BA = pA * kex > k_AB = pB * kex > - > - # Extract shape of experiment. > - NE, NS, NM, NO = num_points.shape > > # The matrix that contains all the contributions to the evolution, i.e. > relaxation, exchange and chemical shift evolution. > R_mat = rr1rho_3d_2site_rankN(R1=r1, r1rho_prime=r1rho_prime, dw=dw, > omega=omega, offset=offset, w1=spin_lock_fields, k_AB=k_AB, k_BA=k_BA, > relax_time=relax_time) > > Modified: branches/R1_fitting/target_functions/relax_disp.py > URL: > http://svn.gna.org/viewcvs/relax/branches/R1_fitting/target_functions/relax_disp.py?rev=24973&r1=24972&r2=24973&view=diff > ============================================================================== > --- branches/R1_fitting/target_functions/relax_disp.py (original) > +++ branches/R1_fitting/target_functions/relax_disp.py Tue Aug 5 20:56:15 > 2014 > @@ -925,7 +925,7 @@ > multiply( multiply.outer( dw.reshape(1, self.NS), self.nm_no_nd_ones > ), self.frqs, out=self.dw_struct ) > > # Back calculate the R1rho values. > - ns_r1rho_2site(M0=self.M0, M0_T=self.M0_T, > r1rho_prime=self.r1rho_prime_struct, omega=self.chemical_shifts, > offset=self.offset, r1=R1, pA=pA, dw=self.dw_struct, kex=kex, > spin_lock_fields=self.spin_lock_omega1, relax_time=self.relax_times, > inv_relax_time=self.inv_relax_times, back_calc=self.back_calc, > num_points=self.num_disp_points) > + ns_r1rho_2site(M0=self.M0, M0_T=self.M0_T, > r1rho_prime=self.r1rho_prime_struct, omega=self.chemical_shifts, > offset=self.offset, r1=R1, pA=pA, dw=self.dw_struct, kex=kex, > spin_lock_fields=self.spin_lock_omega1, relax_time=self.relax_times, > inv_relax_time=self.inv_relax_times, back_calc=self.back_calc) > > # Clean the data for all values, which is left over at the end of > arrays. > self.back_calc = self.back_calc*self.disp_struct > > > _______________________________________________ > 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
