Author: tlinnet Date: Wed Jun 11 15:09:01 2014 New Revision: 23838 URL: http://svn.gna.org/viewcvs/relax?rev=23838&view=rev Log: Removed the slow allclose() function to test if R20A and R20B is equal. It is MUCH faster to just subtract and check sum is not 0.0. Task #7807 (https://gna.org/task/index.php?7807): Speed-up of dispersion models for Clustered analysis. Modified: branches/disp_spin_speed/lib/dispersion/cr72.py Modified: branches/disp_spin_speed/lib/dispersion/cr72.py URL: http://svn.gna.org/viewcvs/relax/branches/disp_spin_speed/lib/dispersion/cr72.py?rev=23838&r1=23837&r2=23838&view=diff ============================================================================== --- branches/disp_spin_speed/lib/dispersion/cr72.py (original) +++ branches/disp_spin_speed/lib/dispersion/cr72.py Wed Jun 11 15:09:01 2014 @@ -92,7 +92,7 @@ """ # Python module imports. -from numpy import allclose, arccosh, array, cos, cosh, isfinite, isnan, fabs, min, max, ndarray, ones, sqrt, sum, zeros +from numpy import arccosh, array, cos, cosh, isfinite, fabs, min, max, sqrt, sum from numpy.ma import fix_invalid, masked_greater_equal, masked_less, masked_where # Repetitive calculations (to speed up calculations). @@ -147,7 +147,7 @@ k_AB = pB * kex # The Psi and zeta values. - if not allclose(r20a, r20b): + if sum(r20a - r20b) != 0.0: fact = r20a - r20b - k_BA + k_AB Psi = fact**2 - dw2 + 4.0*pA*pB*kex**2 zeta = 2.0*dw * fact