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