r23993 - /branches/disp_spin_speed/target_functions/relax_disp.py -- June 16, 2014 - 19:58

Author: tlinnet
Date: Mon Jun 16 19:58:10 2014
New Revision: 23993

URL: http://svn.gna.org/viewcvs/relax?rev=23993&view=rev
Log:
Restructured frqs_H to higher dimension in target function.

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=23993&r1=23992&r2=23993&view=diff
==============================================================================
--- branches/disp_spin_speed/target_functions/relax_disp.py     (original)
+++ branches/disp_spin_speed/target_functions/relax_disp.py     Mon Jun 16 
19:58:10 2014
@@ -171,7 +171,6 @@
         self.num_spins = num_spins
         self.num_frq = num_frq
         self.exp_types = exp_types
-        self.frqs_H = frqs_H
         self.scaling_matrix = scaling_matrix
 
         ### Initialise higher order numpy structures.
@@ -240,6 +239,7 @@
         self.cpmg_frqs = deepcopy(numpy_array_ones)
         self.frqs = deepcopy(numpy_array_zeros)
         self.frqs_squared = deepcopy(numpy_array_zeros)
+        self.frqs_H = deepcopy(numpy_array_zeros)
         self.relax_times = deepcopy(numpy_array_zeros)
         self.inv_relax_times = deepcopy(numpy_array_zeros)
         self.tau_cpmg = deepcopy(numpy_array_zeros)
@@ -264,6 +264,8 @@
                     frq = frqs[ei][si][mi]
                     self.frqs[ei][si][mi][:] = frq
                     self.frqs_squared[ei][si][mi][:] = frq**2
+                    frq_H = frqs_H[ei][si][mi]
+                    self.frqs_H[ei][si][mi][:] = frq_H
 
                     # Fill the relaxation time.
                     relax_time = relax_times[ei][mi]
@@ -694,8 +696,8 @@
                     # Convert dw from ppm to rad/s.
                     dw_AB_frq = dw_AB[si] * self.frqs[ei][si][mi][0][0]
                     dw_AC_frq = dw_AC[si] * self.frqs[ei][si][mi][0][0]
-                    dwH_AB_frq = dwH_AB[si] * self.frqs_H[ei][si][mi]
-                    dwH_AC_frq = dwH_AC[si] * self.frqs_H[ei][si][mi]
+                    dwH_AB_frq = dwH_AB[si] * self.frqs_H[ei][si][mi][0][0]
+                    dwH_AC_frq = dwH_AC[si] * self.frqs_H[ei][si][mi][0][0]
 
                     # Alias the dw frequency combinations.
                     aliased_dwH_AB = 0.0
@@ -1283,7 +1285,7 @@
 
                     # Convert dw from ppm to rad/s.
                     dw_frq = dw[si] * self.frqs[ei][si][mi][0][0]
-                    dwH_frq = dwH[si] * self.frqs_H[ei][si][mi]
+                    dwH_frq = dwH[si] * self.frqs_H[ei][si][mi][0][0]
 
                     # Alias the dw frequency combinations.
                     aliased_dwH = 0.0
@@ -1527,7 +1529,7 @@
 
                     # Convert dw from ppm to rad/s.
                     dw_frq = dw[si] * self.frqs[ei][si][mi][0][0]
-                    dwH_frq = dwH[si] * self.frqs_H[ei][si][mi]
+                    dwH_frq = dwH[si] * self.frqs_H[ei][si][mi][0][0]
 
                     # Alias the dw frequency combinations.
                     aliased_dwH = 0.0