Author: tlinnet Date: Tue Jun 17 15:49:54 2014 New Revision: 24039 URL: http://svn.gna.org/viewcvs/relax?rev=24039&view=rev Log: Fix for shortening the variables names.
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_mmq_2site.py branches/disp_spin_speed/lib/dispersion/ns_mmq_3site.py Modified: branches/disp_spin_speed/lib/dispersion/ns_mmq_2site.py URL: http://svn.gna.org/viewcvs/relax/branches/disp_spin_speed/lib/dispersion/ns_mmq_2site.py?rev=24039&r1=24038&r2=24039&view=diff ============================================================================== --- branches/disp_spin_speed/lib/dispersion/ns_mmq_2site.py (original) +++ branches/disp_spin_speed/lib/dispersion/ns_mmq_2site.py Tue Jun 17 15:49:54 2014 @@ -142,18 +142,18 @@ # Loop over offsets: for oi in range(NO): - r20a_si_mi_oi = R20A[si, mi, oi, 0] - r20b_si_mi_oi = R20B[si, mi, oi, 0] - dw_si_mi_oi = dw[si, mi, oi, 0] - dwH_si_mi_oi = dwH[si, mi, oi, 0] - num_points_si_mi_oi = num_points[si, mi, oi] + r20a_i = R20A[si, mi, oi, 0] + r20b_i = R20B[si, mi, oi, 0] + dw_i = dw[si, mi, oi, 0] + dwH_i = dwH[si, mi, oi, 0] + num_points_i = num_points[si, mi, oi] # Populate the m1 and m2 matrices (only once per function call for speed). - populate_matrix(matrix=m1, R20A=r20a_si_mi_oi, R20B=r20b_si_mi_oi, dw=-dw_si_mi_oi - dwH_si_mi_oi, k_AB=k_AB, k_BA=k_BA) # D+ matrix component. - populate_matrix(matrix=m2, R20A=r20a_si_mi_oi, R20B=r20b_si_mi_oi, dw=dw_si_mi_oi - dwH_si_mi_oi, k_AB=k_AB, k_BA=k_BA) # Z- matrix component. + populate_matrix(matrix=m1, R20A=r20a_i, R20B=r20b_i, dw=-dw_i - dwH_i, k_AB=k_AB, k_BA=k_BA) # D+ matrix component. + populate_matrix(matrix=m2, R20A=r20a_i, R20B=r20b_i, dw=dw_i - dwH_i, k_AB=k_AB, k_BA=k_BA) # Z- matrix component. # Loop over the time points, back calculating the R2eff values. - for i in range(num_points_si_mi_oi): + for i in range(num_points_i): # The M1 and M2 matrices. M1 = matrix_exponential(m1*tcp[si, mi, oi, i]) # Equivalent to D+. M2 = matrix_exponential(m2*tcp[si, mi, oi, i]) # Equivalent to Z-. @@ -292,17 +292,17 @@ # Loop over offsets: for oi in range(NO): - r20a_si_mi_oi = R20A[si, mi, oi, 0] - r20b_si_mi_oi = R20B[si, mi, oi, 0] - dw_si_mi_oi = dw[si, mi, oi, 0] - num_points_si_mi_oi = num_points[si, mi, oi] + r20a_i = R20A[si, mi, oi, 0] + r20b_i = R20B[si, mi, oi, 0] + dw_i = dw[si, mi, oi, 0] + num_points_i = num_points[si, mi, oi] # Populate the m1 and m2 matrices (only once per function call for speed). - populate_matrix(matrix=m1, R20A=r20a_si_mi_oi , R20B=r20b_si_mi_oi, dw=dw_si_mi_oi, k_AB=k_AB, k_BA=k_BA) - populate_matrix(matrix=m2, R20A=r20a_si_mi_oi , R20B=r20b_si_mi_oi, dw=-dw_si_mi_oi, k_AB=k_AB, k_BA=k_BA) + populate_matrix(matrix=m1, R20A=r20a_i , R20B=r20b_i, dw=dw_i, k_AB=k_AB, k_BA=k_BA) + populate_matrix(matrix=m2, R20A=r20a_i , R20B=r20b_i, dw=-dw_i, k_AB=k_AB, k_BA=k_BA) # Loop over the time points, back calculating the R2eff values. - for i in range(num_points_si_mi_oi): + for i in range(num_points_i): # The A+/- matrices. A_pos = matrix_exponential(m1*tcp[si, mi, oi, i]) A_neg = matrix_exponential(m2*tcp[si, mi, oi, i]) Modified: branches/disp_spin_speed/lib/dispersion/ns_mmq_3site.py URL: http://svn.gna.org/viewcvs/relax/branches/disp_spin_speed/lib/dispersion/ns_mmq_3site.py?rev=24039&r1=24038&r2=24039&view=diff ============================================================================== --- branches/disp_spin_speed/lib/dispersion/ns_mmq_3site.py (original) +++ branches/disp_spin_speed/lib/dispersion/ns_mmq_3site.py Tue Jun 17 15:49:54 2014 @@ -185,22 +185,22 @@ # Loop over offsets: for oi in range(NO): - r20a_si_mi_oi = R20A[si, mi, oi, 0] - r20b_si_mi_oi = R20B[si, mi, oi, 0] - r20c_si_mi_oi = R20C[si, mi, oi, 0] - - dw_AB_si_mi_oi=dw_AB[si, mi, oi, 0] - dw_AC_si_mi_oi=dw_AC[si, mi, oi, 0] - dwH_AB_si_mi_oi=dwH_AB[si, mi, oi, 0] - dwH_AC_si_mi_oi=dwH_AC[si, mi, oi, 0] - num_points_si_mi_oi = num_points[si, mi, oi] + r20a_i = R20A[si, mi, oi, 0] + r20b_i = R20B[si, mi, oi, 0] + r20c_i = R20C[si, mi, oi, 0] + + dw_AB_i=dw_AB[si, mi, oi, 0] + dw_AC_i=dw_AC[si, mi, oi, 0] + dwH_AB_i=dwH_AB[si, mi, oi, 0] + dwH_AC_i=dwH_AC[si, mi, oi, 0] + num_points_i = num_points[si, mi, oi] # Populate the m1 and m2 matrices (only once per function call for speed). - populate_matrix(matrix=m1, R20A=r20a_si_mi_oi, R20B=r20b_si_mi_oi, R20C=r20c_si_mi_oi, dw_AB=-dw_AB_si_mi_oi - dwH_AB_si_mi_oi, dw_AC=-dw_AC_si_mi_oi - dwH_AC_si_mi_oi, k_AB=k_AB, k_BA=k_BA, k_BC=k_BC, k_CB=k_CB, k_AC=k_AC, k_CA=k_CA) # D+ matrix component. - populate_matrix(matrix=m2, R20A=r20a_si_mi_oi, R20B=r20b_si_mi_oi, R20C=r20c_si_mi_oi, dw_AB=dw_AB_si_mi_oi - dwH_AB_si_mi_oi, dw_AC=dw_AC_si_mi_oi - dwH_AC_si_mi_oi, k_AB=k_AB, k_BA=k_BA, k_BC=k_BC, k_CB=k_CB, k_AC=k_AC, k_CA=k_CA) # Z- matrix component. + populate_matrix(matrix=m1, R20A=r20a_i, R20B=r20b_i, R20C=r20c_i, dw_AB=-dw_AB_i - dwH_AB_i, dw_AC=-dw_AC_i - dwH_AC_i, k_AB=k_AB, k_BA=k_BA, k_BC=k_BC, k_CB=k_CB, k_AC=k_AC, k_CA=k_CA) # D+ matrix component. + populate_matrix(matrix=m2, R20A=r20a_i, R20B=r20b_i, R20C=r20c_i, dw_AB=dw_AB_i - dwH_AB_i, dw_AC=dw_AC_i - dwH_AC_i, k_AB=k_AB, k_BA=k_BA, k_BC=k_BC, k_CB=k_CB, k_AC=k_AC, k_CA=k_CA) # Z- matrix component. # Loop over the time points, back calculating the R2eff values. - for i in range(num_points_si_mi_oi): + for i in range(num_points_i): # The M1 and M2 matrices. M1 = matrix_exponential(m1*tcp[si, mi, oi, i]) # Equivalent to D+. M2 = matrix_exponential(m2*tcp[si, mi, oi, i]) # Equivalent to Z-. @@ -346,22 +346,22 @@ # Loop over offsets: for oi in range(NO): - r20a_si_mi_oi = R20A[si, mi, oi, 0] - r20b_si_mi_oi = R20B[si, mi, oi, 0] - r20c_si_mi_oi = R20C[si, mi, oi, 0] - - dw_AB_si_mi_oi=dw_AB[si, mi, oi, 0] - dw_AC_si_mi_oi=dw_AC[si, mi, oi, 0] - dwH_AB_si_mi_oi=dwH_AB[si, mi, oi, 0] - dwH_AC_si_mi_oi=dwH_AC[si, mi, oi, 0] - num_points_si_mi_oi = num_points[si, mi, oi] + r20a_i = R20A[si, mi, oi, 0] + r20b_i = R20B[si, mi, oi, 0] + r20c_i = R20C[si, mi, oi, 0] + + dw_AB_i=dw_AB[si, mi, oi, 0] + dw_AC_i=dw_AC[si, mi, oi, 0] + dwH_AB_i=dwH_AB[si, mi, oi, 0] + dwH_AC_i=dwH_AC[si, mi, oi, 0] + num_points_i = num_points[si, mi, oi] # Populate the m1 and m2 matrices (only once per function call for speed). - populate_matrix(matrix=m1, R20A=r20a_si_mi_oi, R20B=r20b_si_mi_oi, R20C=r20c_si_mi_oi, dw_AB=dw_AB_si_mi_oi, dw_AC=dw_AC_si_mi_oi, k_AB=k_AB, k_BA=k_BA, k_BC=k_BC, k_CB=k_CB, k_AC=k_AC, k_CA=k_CA) - populate_matrix(matrix=m2, R20A=r20a_si_mi_oi, R20B=r20b_si_mi_oi, R20C=r20c_si_mi_oi, dw_AB=-dw_AB_si_mi_oi, dw_AC=-dw_AC_si_mi_oi, k_AB=k_AB, k_BA=k_BA, k_BC=k_BC, k_CB=k_CB, k_AC=k_AC, k_CA=k_CA) + populate_matrix(matrix=m1, R20A=r20a_i, R20B=r20b_i, R20C=r20c_i, dw_AB=dw_AB_i, dw_AC=dw_AC_i, k_AB=k_AB, k_BA=k_BA, k_BC=k_BC, k_CB=k_CB, k_AC=k_AC, k_CA=k_CA) + populate_matrix(matrix=m2, R20A=r20a_i, R20B=r20b_i, R20C=r20c_i, dw_AB=-dw_AB_i, dw_AC=-dw_AC_i, k_AB=k_AB, k_BA=k_BA, k_BC=k_BC, k_CB=k_CB, k_AC=k_AC, k_CA=k_CA) # Loop over the time points, back calculating the R2eff values. - for i in range(num_points_si_mi_oi): + for i in range(num_points_i): # The A+/- matrices. A_pos = matrix_exponential(m1*tcp[si, mi, oi, i]) A_neg = matrix_exponential(m2*tcp[si, mi, oi, i]) _______________________________________________ relax (http://www.nmr-relax.com) This is the relax-commits mailing list relax-commits@gna.org 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
