What about the numpy.subtract() ufunc? I'm guessing that will not be faster.
Regards, Edward On 11 June 2014 15:09, <[email protected]> wrote: > 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 > > > _______________________________________________ > relax (http://www.nmr-relax.com) > > This is the relax-commits mailing list > [email protected] > > 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 _______________________________________________ relax (http://www.nmr-relax.com) This is the relax-devel mailing list [email protected] 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-devel
