r20346 - /branches/relax_disp/lib/dispersion/ns_matrices.py -- July 17, 2013 - 11:03

Author: bugman
Date: Wed Jul 17 11:03:37 2013
New Revision: 20346

URL: http://svn.gna.org/viewcvs/relax?rev=20346&view=rev
Log:
Speed up for the lib.dispersion.ns_matrices.rcpmg_3d() function.

The pA and pB parameters are now sent into the function rather than being 
recreated by the function.


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

Modified: branches/relax_disp/lib/dispersion/ns_matrices.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/relax_disp/lib/dispersion/ns_matrices.py?rev=20346&r1=20345&r2=20346&view=diff
==============================================================================
--- branches/relax_disp/lib/dispersion/ns_matrices.py (original)
+++ branches/relax_disp/lib/dispersion/ns_matrices.py Wed Jul 17 11:03:37 2013
@@ -112,7 +112,7 @@
     return temp
 
 
-def rcpmg_3d(R1A=None, R1B=None, R2A=None, R2B=None, dw=None, k_AB=None, 
k_BA=None):
+def rcpmg_3d(R1A=None, R1B=None, R2A=None, R2B=None, pA=None, pB=None, 
dw=None, k_AB=None, k_BA=None):
     """Definition of the 3D exchange matrix.
 
     @keyword R1A:   The longitudinal, spin-lattice relaxation rate for state 
A.
@@ -123,6 +123,10 @@
     @type R2A:      float
     @keyword R2B:   The transverse, spin-spin relaxation rate for state B.
     @type R2B:      float
+    @keyword pA:    The population of state A.
+    @type pA:       float
+    @keyword pB:    The population of state B.
+    @type pB:       float
     @keyword dw:    The chemical exchange difference between states A and B 
in rad/s.
     @type dw:       float
     @keyword k_AB:  The forward exchange rate from state A to state B.
@@ -137,10 +141,6 @@
     wA = 0.0
     wB = dw
 
-    # Recreate the populations.
-    pA = k_BA / (k_BA + k_AB)
-    pB = k_AB / (k_BA + k_AB)
-
     # Create the matrix.
     temp = matrix([
         [        0.0,       0.0,         0.0,       0.0,       0.0,        
0.0,       0.0],