mailr24224 - /branches/disp_spin_speed/target_functions/relax_disp.py


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Posted by tlinnet on June 20, 2014 - 20:03:
Author: tlinnet
Date: Fri Jun 20 20:03:25 2014
New Revision: 24224

URL: http://svn.gna.org/viewcvs/relax?rev=24224&view=rev
Log:
Cleaned up the Dispersion class target function, for creation of matrices, 
which is now populated inside the lib functions instead.

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

Modified:
    branches/disp_spin_speed/target_functions/relax_disp.py

Modified: branches/disp_spin_speed/target_functions/relax_disp.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/disp_spin_speed/target_functions/relax_disp.py?rev=24224&r1=24223&r2=24224&view=diff
==============================================================================
--- branches/disp_spin_speed/target_functions/relax_disp.py     (original)
+++ branches/disp_spin_speed/target_functions/relax_disp.py     Fri Jun 20 
20:03:25 2014
@@ -391,20 +391,6 @@
             self.end_index.append(self.end_index[-1] + self.num_spins)
             self.end_index.append(self.end_index[-1] + self.num_spins)
 
-        # Set up the matrices for the numerical solutions.
-        if model in [MODEL_NS_CPMG_2SITE_STAR, 
MODEL_NS_CPMG_2SITE_STAR_FULL]:
-            # The matrix that contains only the R2 relaxation terms 
("Redfield relaxation", i.e. non-exchange broadening).
-            self.Rr = zeros((2, 2), complex64)
-
-            # The matrix that contains the exchange terms between the two 
states A and B.
-            self.Rex = zeros((2, 2), complex64)
-
-            # The matrix that contains the chemical shift evolution.  It 
works here only with X magnetization, and the complex notation allows to 
evolve in the transverse plane (x, y).
-            self.RCS = zeros((2, 2), complex64)
-
-            # The matrix that contains all the contributions to the 
evolution, i.e. relaxation, exchange and chemical shift evolution.
-            self.R = zeros((2, 2), complex64)
-
         # Pi-pulse propagators.
         if model in [MODEL_NS_CPMG_2SITE_3D, MODEL_NS_CPMG_2SITE_3D_FULL]:
             self.r180x = r180x_3d()
@@ -421,18 +407,6 @@
             self.M0 = zeros(6, float64)
         if model in [MODEL_NS_R1RHO_3SITE, MODEL_NS_R1RHO_3SITE_LINEAR]:
             self.M0 = zeros(9, float64)
-
-        # Special storage matrices for the multi-quantum CPMG N-site 
numerical models.
-        if model == MODEL_NS_MMQ_2SITE:
-            self.m1 = zeros((2, 2), complex64)
-            self.m2 = zeros((2, 2), complex64)
-        elif model in [MODEL_NS_MMQ_3SITE, MODEL_NS_MMQ_3SITE_LINEAR]:
-            self.m1 = zeros((3, 3), complex64)
-            self.m2 = zeros((3, 3), complex64)
-        elif model == MODEL_NS_R1RHO_2SITE:
-            self.matrix = zeros((6, 6), float64)
-        elif model in [MODEL_NS_R1RHO_3SITE, MODEL_NS_R1RHO_3SITE_LINEAR]:
-            self.matrix = zeros((9, 9), float64)
 
         # Set up the model.
         if model == MODEL_NOREX:




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