This could also be reverted. I hope there aren't too many more :(
Regards,
Edward
On 6 May 2014 17:23, <tlinnet@xxxxxxxxxxxxx> wrote:
Author: tlinnet
Date: Tue May 6 17:23:33 2014
New Revision: 23007
URL: http://svn.gna.org/viewcvs/relax?rev=23007&view=rev
Log:
Speed-up. Made variable for the Repetitive calculations of zeta**2, and
Psi**2.
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=23007&r1=23006&r2=23007&view=diff
==============================================================================
--- trunk/lib/dispersion/b14.py (original)
+++ trunk/lib/dispersion/b14.py Tue May 6 17:23:33 2014
@@ -146,22 +146,19 @@
# Repetitive calculations (to speed up calculations).
dw2 = dw**2
-
-
#########################################################################
- ##### Baldwins code.
-
#########################################################################
-
-
#########################################################################
- #get the real and imaginary components of the exchange induced shift
- g3 = 1/sqrt(2) * sqrt(Psi + sqrt(zeta**2 + Psi**2)) #trig faster
than square roots
- g4 = 1/sqrt(2) * sqrt(-Psi + sqrt(zeta**2 + Psi**2)) #trig faster
than square roots
-
#########################################################################
+ zeta2 = zeta**2
+ Psi2 = Psi**2
+
+ # Get the real and imaginary components of the exchange induced shift.
+ g3 = 1/sqrt(2) * sqrt(Psi + sqrt(zeta2 + Psi2))
+ g4 = 1/sqrt(2) * sqrt(-Psi + sqrt(zeta2 + Psi2))
+
# Repetitive calculations (to speed up calculations).
g32 = g3**2
g42 = g4**2
- #Time independent factors.
- #N = oG + oE.
+ # Time independent factors.
+ # N = oG + oE.
N = complex(g3, g4)
NNc = g32 + g42
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Re: r23007 - /trunk/lib/dispersion/b14.py