Author: tlinnet Date: Thu Jun 19 20:52:53 2014 New Revision: 24169 URL: http://svn.gna.org/viewcvs/relax?rev=24169&view=rev Log: Made the function use the new multidimensional R_mat matrix. Systemtest: test_tp02_data_to_ns_r1rho_2site still passes. Task #7807 (https://gna.org/task/index.php?7807): Speed-up of dispersion models for Clustered analysis. Modified: branches/disp_spin_speed/lib/dispersion/ns_r1rho_2site.py Modified: branches/disp_spin_speed/lib/dispersion/ns_r1rho_2site.py URL: http://svn.gna.org/viewcvs/relax/branches/disp_spin_speed/lib/dispersion/ns_r1rho_2site.py?rev=24169&r1=24168&r2=24169&view=diff ============================================================================== --- branches/disp_spin_speed/lib/dispersion/ns_r1rho_2site.py (original) +++ branches/disp_spin_speed/lib/dispersion/ns_r1rho_2site.py Thu Jun 19 20:52:53 2014 @@ -136,17 +136,7 @@ # Loop over the time points, back calculating the R2eff values. for j in range(num_points_i): # The matrix that contains all the contributions to the evolution, i.e. relaxation, exchange and chemical shift evolution. - rr1rho_3d(matrix=matrix, R1=r1_i, r1rho_prime=r1rho_prime_i[j], pA=pA, pB=pB, wA=dA, wB=dB, w1=spin_lock_fields_i[j], k_AB=k_AB, k_BA=k_BA) - - matrix_time = matrix*relax_time_i[j] - R_mat_i = R_mat[0, si, mi, oi, j] - diff = matrix_time - R_mat_i - if abs(sum(diff)) > 1.0e-13: - print sum(diff) - import sys - sys.exit() - # The following lines rotate the magnetization previous to spin-lock into the weff frame. theta = atan2(spin_lock_fields_i[j], dA) @@ -154,7 +144,7 @@ M0[2] = cos(theta) # The A state initial Z magnetisation. # This matrix is a propagator that will evolve the magnetization with the matrix R. - Rexpo = matrix_exponential(matrix_time) + Rexpo = matrix_exponential(R_mat_i) # Magnetization evolution. MA = dot(M0, dot(Rexpo, M0))