Author: tlinnet Date: Mon Jun 16 19:01:36 2014 New Revision: 23989 URL: http://svn.gna.org/viewcvs/relax?rev=23989&view=rev Log: Various index fixes, after the data structures have been reordered. 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_cpmg_2site_3d.py branches/disp_spin_speed/lib/dispersion/ns_cpmg_2site_star.py branches/disp_spin_speed/lib/dispersion/ns_mmq_2site.py branches/disp_spin_speed/lib/dispersion/ns_mmq_3site.py branches/disp_spin_speed/lib/dispersion/ns_r1rho_2site.py branches/disp_spin_speed/lib/dispersion/ns_r1rho_3site.py Modified: branches/disp_spin_speed/lib/dispersion/ns_cpmg_2site_3d.py URL: http://svn.gna.org/viewcvs/relax/branches/disp_spin_speed/lib/dispersion/ns_cpmg_2site_3d.py?rev=23989&r1=23988&r2=23989&view=diff ============================================================================== --- branches/disp_spin_speed/lib/dispersion/ns_cpmg_2site_3d.py (original) +++ branches/disp_spin_speed/lib/dispersion/ns_cpmg_2site_3d.py Mon Jun 16 19:01:36 2014 @@ -136,7 +136,7 @@ R2A_si_mi=r20a[0][si][mi][0][0] R2B_si_mi=r20b[0][si][mi][0][0] dw_si_mi = dw[0][si][mi][0][0] - num_points_si_mi = int(num_points[0][si][mi][0][0]) + num_points_si_mi = int(num_points[0][si][mi][0]) # The matrix R that contains all the contributions to the evolution, i.e. relaxation, exchange and chemical shift evolution. R = rcpmg_3d(R1A=r10a, R1B=r10b, R2A=R2A_si_mi, R2B=R2B_si_mi, pA=pA, pB=pB, dw=dw_si_mi, k_AB=k_AB, k_BA=k_BA) Modified: branches/disp_spin_speed/lib/dispersion/ns_cpmg_2site_star.py URL: http://svn.gna.org/viewcvs/relax/branches/disp_spin_speed/lib/dispersion/ns_cpmg_2site_star.py?rev=23989&r1=23988&r2=23989&view=diff ============================================================================== --- branches/disp_spin_speed/lib/dispersion/ns_cpmg_2site_star.py (original) +++ branches/disp_spin_speed/lib/dispersion/ns_cpmg_2site_star.py Mon Jun 16 19:01:36 2014 @@ -145,7 +145,7 @@ R2A_si_mi=r20a[0][si][mi][0][0] R2B_si_mi=r20b[0][si][mi][0][0] dw_si_mi = dw[0][si][mi][0][0] - num_points_si_mi = int(num_points[0][si][mi][0][0]) + num_points_si_mi = int(num_points[0][si][mi][0]) # The matrix that contains only the R2 relaxation terms ("Redfield relaxation", i.e. non-exchange broadening). Rr[0, 0] = -R2A_si_mi 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=23989&r1=23988&r2=23989&view=diff ============================================================================== --- branches/disp_spin_speed/lib/dispersion/ns_mmq_2site.py (original) +++ branches/disp_spin_speed/lib/dispersion/ns_mmq_2site.py Mon Jun 16 19:01:36 2014 @@ -216,7 +216,7 @@ if Mx <= 0.0 or isNaN(Mx): back_calc[i] = 1e99 else: - back_calc[i]= -inv_tcpmg * log(Mx / pA) + back_calc[i]= -inv_tcpmg[i] * log(Mx / pA) def r2eff_ns_mmq_2site_sq_dq_zq(M0=None, F_vector=array([1, 0], float64), m1=None, m2=None, R20A=None, R20B=None, pA=None, pB=None, dw=None, dwH=None, k_AB=None, k_BA=None, inv_tcpmg=None, tcp=None, back_calc=None, num_points=None, power=None): @@ -287,4 +287,4 @@ if Mx <= 0.0 or isNaN(Mx): back_calc[i] = 1e99 else: - back_calc[i] = -inv_tcpmg * log(Mx / pA) + back_calc[i] = -inv_tcpmg[i] * log(Mx / pA) 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=23989&r1=23988&r2=23989&view=diff ============================================================================== --- branches/disp_spin_speed/lib/dispersion/ns_mmq_3site.py (original) +++ branches/disp_spin_speed/lib/dispersion/ns_mmq_3site.py Mon Jun 16 19:01:36 2014 @@ -259,7 +259,7 @@ if Mx <= 0.0 or isNaN(Mx): back_calc[i] = 1e99 else: - back_calc[i]= -inv_tcpmg * log(Mx / pA) + back_calc[i]= -inv_tcpmg[i] * log(Mx / pA) def r2eff_ns_mmq_3site_sq_dq_zq(M0=None, F_vector=array([1, 0, 0], float64), m1=None, m2=None, R20A=None, R20B=None, R20C=None, pA=None, pB=None, pC=None, dw_AB=None, dw_AC=None, dwH_AB=None, dwH_AC=None, k_AB=None, k_BA=None, k_BC=None, k_CB=None, k_AC=None, k_CA=None, inv_tcpmg=None, tcp=None, back_calc=None, num_points=None, power=None): @@ -338,4 +338,4 @@ if Mx <= 0.0 or isNaN(Mx): back_calc[i] = 1e99 else: - back_calc[i] = -inv_tcpmg * log(Mx / pA) + back_calc[i] = -inv_tcpmg[i] * log(Mx / pA) 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=23989&r1=23988&r2=23989&view=diff ============================================================================== --- branches/disp_spin_speed/lib/dispersion/ns_r1rho_2site.py (original) +++ branches/disp_spin_speed/lib/dispersion/ns_r1rho_2site.py Mon Jun 16 19:01:36 2014 @@ -117,7 +117,7 @@ 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*relax_time) + Rexpo = matrix_exponential(matrix*relax_time[i]) # Magnetization evolution. MA = dot(M0, dot(Rexpo, M0)) @@ -126,6 +126,6 @@ if MA <= 0.0 or isNaN(MA): back_calc[i] = 1e99 else: - back_calc[i]= -inv_relax_time * log(MA) + back_calc[i]= -inv_relax_time[i] * log(MA) Modified: branches/disp_spin_speed/lib/dispersion/ns_r1rho_3site.py URL: http://svn.gna.org/viewcvs/relax/branches/disp_spin_speed/lib/dispersion/ns_r1rho_3site.py?rev=23989&r1=23988&r2=23989&view=diff ============================================================================== --- branches/disp_spin_speed/lib/dispersion/ns_r1rho_3site.py (original) +++ branches/disp_spin_speed/lib/dispersion/ns_r1rho_3site.py Mon Jun 16 19:01:36 2014 @@ -146,4 +146,4 @@ if MA <= 0.0 or isNaN(MA): back_calc[i] = 1e99 else: - back_calc[i]= -inv_relax_time * log(MA) + back_calc[i]= -inv_relax_time[i] * log(MA)