r23058 - /trunk/lib/dispersion/b14.py -- May 07, 2014 - 16:17

Author: tlinnet
Date: Wed May  7 16:17:44 2014
New Revision: 23058

URL: http://svn.gna.org/viewcvs/relax?rev=23058&view=rev
Log:
Very small speed-up.

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=23058&r1=23057&r2=23058&view=diff
==============================================================================
--- trunk/lib/dispersion/b14.py (original)
+++ trunk/lib/dispersion/b14.py Wed May  7 16:17:44 2014
@@ -223,14 +223,18 @@
 
     Tog = 0.5 * (1. + y) + (1. - y) * v5 / (2. * v3 * N )
 
-    # -1/Trel * log(LpreDyn).
-    Rpre = (r20a + r20b + kex) / 2.0
-
-    # Carver and Richards (1972)
-    R2eff_CR72 = Rpre - inv_tcpmg * ncyc *  arccosh(v1c.real)
-
+    ## -1/Trel * log(LpreDyn).
+    # Rpre = (r20a + r20b + kex) / 2.0
+
+    ## Carver and Richards (1972)
+    # R2eff_CR72 = Rpre - inv_tcpmg * ncyc *  arccosh(v1c.real)
+
+    ## Baldwin final.
     # Estimate R2eff. relax_time = Trel = 1/inv_tcpmg.
-    R2eff = R2eff_CR72 - inv_tcpmg * log(Tog.real)
+    # R2eff = R2eff_CR72 - inv_tcpmg * log(Tog.real)
+
+    # Fastest calculation.
+    R2eff = (r20a + r20b + kex) / 2.0  - inv_tcpmg * ( ncyc *  
arccosh(v1c.real) + log(Tog.real) )
 
     # Loop over the time points, back calculating the R2eff values.
     for i in range(num_points):