r23909 - /branches/disp_spin_speed/target_functions/relax_disp.py -- June 13, 2014 - 10:10

Author: tlinnet
Date: Fri Jun 13 10:10:07 2014
New Revision: 23909

URL: http://svn.gna.org/viewcvs/relax?rev=23909&view=rev
Log:
Removed an unnecessary frq_struct in init of target function.

frqs can just be expanded, and back_calc is cleaned afterwards with 
disp_struct.

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=23909&r1=23908&r2=23909&view=diff
==============================================================================
--- branches/disp_spin_speed/target_functions/relax_disp.py     (original)
+++ branches/disp_spin_speed/target_functions/relax_disp.py     Fri Jun 13 
10:10:07 2014
@@ -517,10 +517,6 @@
                                     else:
                                         
self.num_disp_points_a[ei][si][mi][oi][di] = 0
 
-            if model in test_models:
-                # Pre calculate frqs structure
-                self.frqs_struct = self.frqs_a * self.disp_struct
-
             # Make copy of values structure.
             self.back_calc_a = deepcopy(self.values_a)
 
@@ -552,7 +548,7 @@
         k_AB = pB * kex
 
         # Convert dw from ppm to rad/s. Use the out argument, to pass 
directly to structure.
-        multiply( multiply.outer( dw.reshape(self.NE, self.NS), 
self.nm_no_nd_struct ), self.frqs_struct, out=self.dw_struct )
+        multiply( multiply.outer( dw.reshape(self.NE, self.NS), 
self.nm_no_nd_struct ), self.frqs_a, out=self.dw_struct )
 
         # Reshape R20A and R20B to per experiment, spin and frequency.
         self.r20a_struct[:] = multiply.outer( R20A.reshape(self.NE, self.NS, 
self.NM), self.no_nd_struct )
@@ -591,7 +587,7 @@
         """
 
         # Convert dw from ppm to rad/s. Use the out argument, to pass 
directly to structure.
-        multiply( multiply.outer( dw.reshape(self.NE, self.NS), 
self.nm_no_nd_struct ), self.frqs_struct, out=self.dw_struct )
+        multiply( multiply.outer( dw.reshape(self.NE, self.NS), 
self.nm_no_nd_struct ), self.frqs_a, out=self.dw_struct )
 
         # Reshape R20A and R20B to per experiment, spin and frequency.
         self.r20a_struct[:] = multiply.outer( R20A.reshape(self.NE, self.NS, 
self.NM), self.no_nd_struct )
@@ -1066,7 +1062,7 @@
         kex = params[self.end_index[1]]
 
         # Convert phi_ex from ppm^2 to (rad/s)^2. Use the out argument, to 
pass directly to structure.
-        multiply( multiply.outer( phi_ex.reshape(self.NE, self.NS), 
self.nm_no_nd_struct ), self.frqs_struct*self.frqs_struct, 
out=self.phi_ex_struct )
+        multiply( multiply.outer( phi_ex.reshape(self.NE, self.NS), 
self.nm_no_nd_struct ), self.frqs_a*self.frqs_a, out=self.phi_ex_struct )
 
         # Reshape R20 to per experiment, spin and frequency.
         self.r20_struct[:] = multiply.outer( R20.reshape(self.NE, self.NS, 
self.NM), self.no_nd_struct )
@@ -1899,7 +1895,7 @@
         pB = 1.0 - pA
 
         # Convert dw from ppm to rad/s. Use the out argument, to pass 
directly to structure.
-        multiply( multiply.outer( dw.reshape(self.NE, self.NS), 
self.nm_no_nd_struct ), self.frqs_struct, out=self.dw_struct )
+        multiply( multiply.outer( dw.reshape(self.NE, self.NS), 
self.nm_no_nd_struct ), self.frqs_a, out=self.dw_struct )
 
         # Reshape R20 to per experiment, spin and frequency.
         self.r20_struct[:] = multiply.outer( R20.reshape(self.NE, self.NS, 
self.NM), self.no_nd_struct )
@@ -1942,7 +1938,7 @@
         pB = 1.0 - pA
 
         # Convert dw from ppm to rad/s. Use the out argument, to pass 
directly to structure.
-        multiply( multiply.outer( dw.reshape(self.NE, self.NS), 
self.nm_no_nd_struct ), self.frqs_struct, out=self.dw_struct )
+        multiply( multiply.outer( dw.reshape(self.NE, self.NS), 
self.nm_no_nd_struct ), self.frqs_a, out=self.dw_struct )
 
         # Reshape R20 to per experiment, spin and frequency.
         self.r20_struct[:] = multiply.outer( R20.reshape(self.NE, self.NS, 
self.NM), self.no_nd_struct )
@@ -1982,7 +1978,7 @@
         k_AB = params[self.end_index[1]]
 
         # Convert dw from ppm to rad/s. Use the out argument, to pass 
directly to structure.
-        multiply( multiply.outer( dw.reshape(self.NE, self.NS), 
self.nm_no_nd_struct ), self.frqs_struct, out=self.dw_struct )
+        multiply( multiply.outer( dw.reshape(self.NE, self.NS), 
self.nm_no_nd_struct ), self.frqs_a, out=self.dw_struct )
 
         # Reshape R20A and R20B to per experiment, spin and frequency.
         self.r20a_struct[:] = multiply.outer( R20A.reshape(self.NE, self.NS, 
self.NM), self.no_nd_struct )