Re: r23011 - /trunk/lib/dispersion/b14.py -- May 06, 2014 - 17:37

This is good!

Edward

On 6 May 2014 17:24,  <tlinnet@xxxxxxxxxxxxx> wrote:
> Author: tlinnet
> Date: Tue May  6 17:24:44 2014
> New Revision: 23011
>
> URL: http://svn.gna.org/viewcvs/relax?rev=23011&view=rev
> Log:
> Speed-up. Repetitive calculations of sqrt_zeta2_Psi2 = sqrt(zeta2 + Psi2).
>
> sr #3154: (https://gna.org/support/?3154) Implementation of Baldwin (2014) 
> B14 model - 2-site exact solution model for all time scales.
>
> This follows the tutorial for adding relaxation dispersion models at:
> http://wiki.nmr-relax.com/Tutorial_for_adding_relaxation_dispersion_models_to_relax#Debugging
>
>
> Modified:
>     trunk/lib/dispersion/b14.py
>
> Modified: trunk/lib/dispersion/b14.py
> URL: 
> http://svn.gna.org/viewcvs/relax/trunk/lib/dispersion/b14.py?rev=23011&r1=23010&r2=23011&view=diff
> ==============================================================================
> --- trunk/lib/dispersion/b14.py (original)
> +++ trunk/lib/dispersion/b14.py Tue May  6 17:24:44 2014
> @@ -151,10 +151,11 @@
>      zeta2 = zeta**2
>      Psi2 = Psi**2
>      two_tcp = 2.0 * tcp
> +    sqrt_zeta2_Psi2 = sqrt(zeta2 + Psi2)
>
>      # Get the real and imaginary components of the exchange induced shift.
> -    g3 = g_fact * sqrt(Psi + sqrt(zeta2 + Psi2))
> -    g4 = g_fact * sqrt(-Psi + sqrt(zeta2 + Psi2))
> +    g3 = g_fact * sqrt( Psi + sqrt_zeta2_Psi2)
> +    g4 = g_fact * sqrt(-Psi + sqrt_zeta2_Psi2)
>
>      # Repetitive calculations (to speed up calculations).
>      g32 = g3**2
>
>
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