r20962 - /branches/relax_disp/lib/dispersion/tp02.py -- September 10, 2013 - 14:21

Author: bugman
Date: Tue Sep 10 14:21:26 2013
New Revision: 20962

URL: http://svn.gna.org/viewcvs/relax?rev=20962&view=rev
Log:
Some small speed ups for the TP02 R1rho dispersion model optimisation.

Some unneeded calculations and aliases were removed.


Modified:
    branches/relax_disp/lib/dispersion/tp02.py

Modified: branches/relax_disp/lib/dispersion/tp02.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/relax_disp/lib/dispersion/tp02.py?rev=20962&r1=20961&r2=20962&view=diff
==============================================================================
--- branches/relax_disp/lib/dispersion/tp02.py (original)
+++ branches/relax_disp/lib/dispersion/tp02.py Tue Sep 10 14:21:26 2013
@@ -77,11 +77,10 @@
     # Loop over the dispersion points, back calculating the R1rho values.
     for i in range(num_points):
         # We assume that A resonates at 0 [s^-1], without loss of generality.
-        Wsl = offset[i]                             # Larmor frequency of 
spin lock [s^-1].
         W = pA*Wa + pB*Wb                           # Pop-averaged Larmor 
frequency [s^-1].
-        da = Wa - Wsl                               # Offset of spin-lock 
from A.
-        db = Wb - Wsl                               # Offset of spin-lock 
from B.
-        d = W - Wsl                                 # Offset of spin-lock 
from pop-average.
+        da = Wa - offset[i]                         # Offset of spin-lock 
from A.
+        db = Wb - offset[i]                         # Offset of spin-lock 
from B.
+        d = W - offset[i]                           # Offset of spin-lock 
from pop-average.
         waeff2 = spin_lock_fields[i]**2 + da**2     # Effective field at A.
         wbeff2 = spin_lock_fields[i]**2 + db**2     # Effective field at B.
         weff2 = spin_lock_fields[i]**2 + d**2       # Effective field at 
pop-average.
@@ -91,7 +90,7 @@
 
         # Repetitive calculations (to speed up calculations).
         sin_theta2 = sin(theta)**2
-        R1_cos_theta2 = R1 * cos(theta)**2
+        R1_cos_theta2 = R1 * (1.0 - sin_theta2)
         R1rho_prime_sin_theta2 = r1rho_prime * sin_theta2
 
         # Catch zeros (to avoid pointless mathematical operations).