Re: r23838 - /branches/disp_spin_speed/lib/dispersion/cr72.py -- June 11, 2014 - 15:11

What about the numpy.subtract() ufunc?  I'm guessing that will not be faster.

Regards,

Edward



On 11 June 2014 15:09,  <tlinnet@xxxxxxxxxxxxx> 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
>
>
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