r20362 - /branches/relax_disp/lib/dispersion/ns_2site_expanded.py -- July 17, 2013 - 17:04

Author: bugman
Date: Wed Jul 17 17:04:06 2013
New Revision: 20362

URL: http://svn.gna.org/viewcvs/relax?rev=20362&view=rev
Log:
Fix for the lib.dispersion.ns_2site_expanded.r2eff_ns_2site_expanded() 
function.

The pg variable should have been pA and it needs to be sent into the function.


Modified:
    branches/relax_disp/lib/dispersion/ns_2site_expanded.py

Modified: branches/relax_disp/lib/dispersion/ns_2site_expanded.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/relax_disp/lib/dispersion/ns_2site_expanded.py?rev=20362&r1=20361&r2=20362&view=diff
==============================================================================
--- branches/relax_disp/lib/dispersion/ns_2site_expanded.py (original)
+++ branches/relax_disp/lib/dispersion/ns_2site_expanded.py Wed Jul 17 
17:04:06 2013
@@ -40,7 +40,7 @@
     from scipy.linalg import expm
 
 
-def r2eff_ns_2site_expanded(r20=None, dw=None, k_AB=None, k_BA=None, 
relax_time=None, inv_relax_time=None, tcp=None, back_calc=None, 
num_points=None, num_cpmg=None):
+def r2eff_ns_2site_expanded(r20=None, pA=None, dw=None, k_AB=None, 
k_BA=None, relax_time=None, inv_relax_time=None, tcp=None, back_calc=None, 
num_points=None, num_cpmg=None):
     """The 2-site numerical solution to the Bloch-McConnell equation using 
complex conjugate matrices.
 
     This function calculates and stores the R2eff values.
@@ -48,6 +48,8 @@
 
     @keyword r20:               The R2 value for both states A and B in the 
absence of exchange.
     @type r20:                  float
+    @keyword pA:                The population of state A.
+    @type pA:                   float
     @keyword dw:                The chemical exchange difference between 
states A and B in rad/s.
     @type dw:                   float
     @keyword k_AB:              The rate of exchange from site A to B 
(rad/s).
@@ -126,7 +128,7 @@
     t139 = 1.0/(k_AB + k_BA) * ((-t113 * t116 * t118/2.0 + t120 * t122 * 
t118/2.0) * k_BA + (-t113 * t127 * t116 * t120 * t118/2.0 + t120 * t127 * 
t122 * t113 * t118/2.0) * k_AB/2.0)
 
     # Calculate the initial and final peak intensities.
-    intensity0 = pg
+    intensity0 = pA
     intensity = real(t139) * exp(-relax_time * r20)
 
     # The magnetisation vector.