Author: bugman Date: Sat Jun 8 23:15:28 2013 New Revision: 19971 URL: http://svn.gna.org/viewcvs/relax?rev=19971&view=rev Log: Simplifications and comment fixes in the lib.dispersion.m61.r2eff_m61() function. Modified: branches/relax_disp/lib/dispersion/m61.py Modified: branches/relax_disp/lib/dispersion/m61.py URL: http://svn.gna.org/viewcvs/relax/branches/relax_disp/lib/dispersion/m61.py?rev=19971&r1=19970&r2=19971&view=diff ============================================================================== --- branches/relax_disp/lib/dispersion/m61.py (original) +++ branches/relax_disp/lib/dispersion/m61.py Sat Jun 8 23:15:28 2013 @@ -66,16 +66,20 @@ @type num_poinst: int """ - # Loop over the time points, back calculating the R2eff values. + # Loop over the dispersion points, back calculating the R1rho values. for i in range(num_points): # Catch zeros (to avoid pointless mathematical operations). if phi_ex == 0.0 or kex == 0.0: back_calc[i] = r1rho_prime + continue + + # Denominator. + denom = kex**2 + (2.0*pi*spin_lock_fields[i])**2 # Avoid divide by zero. - elif kex == 0.0 and spin_lock_fields[i] == 0.0: + if denom == 0.0: back_calc[i] = 1e100 + continue - # The full formula. - else: - back_calc[i] = r1rho_prime + sin(theta)**2 * phi_ex * kex / (kex**2 + (2.0*pi*spin_lock_fields[i])**2) + # R1rho calculation. + back_calc[i] = r1rho_prime + sin(theta)**2 * phi_ex * kex / denom