r24226 - in /branches/disp_spin_speed/lib/dispersion: ns_matrices.py ns_r1rho_2site.py -- June 20, 2014 - 20:03

Author: tlinnet
Date: Fri Jun 20 20:03:28 2014
New Revision: 24226

URL: http://svn.gna.org/viewcvs/relax?rev=24226&view=rev
Log:
Removed pA and pB from the matrice population function rr1rho_3d_2site_rankN, 
since they are not used.

Task #7807 (https://gna.org/task/index.php?7807): Speed-up of dispersion 
models for Clustered analysis.

Modified:
    branches/disp_spin_speed/lib/dispersion/ns_matrices.py
    branches/disp_spin_speed/lib/dispersion/ns_r1rho_2site.py

Modified: branches/disp_spin_speed/lib/dispersion/ns_matrices.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/disp_spin_speed/lib/dispersion/ns_matrices.py?rev=24226&r1=24225&r2=24226&view=diff
==============================================================================
--- branches/disp_spin_speed/lib/dispersion/ns_matrices.py      (original)
+++ branches/disp_spin_speed/lib/dispersion/ns_matrices.py      Fri Jun 20 
20:03:28 2014
@@ -754,7 +754,7 @@
     matrix[5, 2] = k_AB
 
 
-def rr1rho_3d_2site_rankN(R1=None, r1rho_prime=None, pA=None, pB=None, 
dw=None, omega=None, offset=None, w1=None, k_AB=None, k_BA=None, 
relax_time=None):
+def rr1rho_3d_2site_rankN(R1=None, r1rho_prime=None, dw=None, omega=None, 
offset=None, w1=None, k_AB=None, k_BA=None, relax_time=None):
     """Definition of the multidimensional 3D exchange matrix, of rank 
[NE][NS][NM][NO][ND][6][6].
 
     This code originates from the funNumrho.m file from the Skrynikov & 
Tollinger code (the sim_all.tar file 
https://gna.org/support/download.php?file_id=18404 attached to 
https://gna.org/task/?7712#comment5).
@@ -764,10 +764,6 @@
     @type R1:               numpy float array of rank [NE][NS][NM][NO][ND]
     @keyword r1rho_prime:   The R1rho transverse, spin-spin relaxation rate 
in the absence of exchange.
     @type r1rho_prime:      numpy float array of rank [NE][NS][NM][NO][ND]
-    @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:               numpy float array of rank [NS][NM][NO][ND]
     @keyword omega:         The chemical shift for the spin in rad/s.
@@ -794,7 +790,7 @@
     Wb = omega + dw
 
     # Population-averaged Larmor frequency [s^-1].
-    W = pA*Wa + pB*Wb
+    #W = pA*Wa + pB*Wb
 
     # Offset of spin-lock from A.
     dA = Wa - offset
@@ -803,7 +799,7 @@
     dB = Wb - offset
 
     # Offset of spin-lock from population-average.
-    d = W - offset
+    #d = W - offset
 
     # Alias to original parameter name.
     wA=dA

Modified: branches/disp_spin_speed/lib/dispersion/ns_r1rho_2site.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/disp_spin_speed/lib/dispersion/ns_r1rho_2site.py?rev=24226&r1=24225&r2=24226&view=diff
==============================================================================
--- branches/disp_spin_speed/lib/dispersion/ns_r1rho_2site.py   (original)
+++ branches/disp_spin_speed/lib/dispersion/ns_r1rho_2site.py   Fri Jun 20 
20:03:28 2014
@@ -102,7 +102,7 @@
     NE, NS, NM, NO = num_points.shape
 
     # The matrix that contains all the contributions to the evolution, i.e. 
relaxation, exchange and chemical shift evolution.
-    R_mat = rr1rho_3d_2site_rankN(R1=r1, r1rho_prime=r1rho_prime, pA=pA, 
pB=pB, dw=dw, omega=omega, offset=offset, w1=spin_lock_fields, k_AB=k_AB, 
k_BA=k_BA, relax_time=relax_time)
+    R_mat = rr1rho_3d_2site_rankN(R1=r1, r1rho_prime=r1rho_prime, dw=dw, 
omega=omega, offset=offset, w1=spin_lock_fields, k_AB=k_AB, k_BA=k_BA, 
relax_time=relax_time)
 
     # This matrix is a propagator that will evolve the magnetization with 
the matrix R.
     Rexpo_mat = matrix_exponential_rankN(R_mat)