r24010 - /branches/disp_spin_speed/target_functions/relax_disp.py -- June 17, 2014 - 09:18

Author: tlinnet
Date: Tue Jun 17 09:18:39 2014
New Revision: 24010

URL: http://svn.gna.org/viewcvs/relax?rev=24010&view=rev
Log:
Added missing instances of cleaning the data.

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=24010&r1=24009&r2=24010&view=diff
==============================================================================
--- branches/disp_spin_speed/target_functions/relax_disp.py     (original)
+++ branches/disp_spin_speed/target_functions/relax_disp.py     Tue Jun 17 
09:18:39 2014
@@ -1309,6 +1309,9 @@
             # Back calculate the R2eff values.
             r2eff_mmq_cr72(r20=r20, pA=pA, pB=pB, dw=aliased_dw, 
dwH=aliased_dwH, kex=kex, k_AB=k_AB, k_BA=k_BA, cpmg_frqs=self.cpmg_frqs[ei], 
inv_tcpmg=self.inv_relax_times[ei], tcp=self.tau_cpmg[ei], 
back_calc=self.back_calc[ei])
 
+            # Clean the data for all values, which is left over at the end 
of arrays.
+            self.back_calc[ei] = self.back_calc[ei]*self.disp_struct[ei]
+
             # For all missing data points, set the back-calculated value to 
the measured values so that it has no effect on the chi-squared value.
             if self.has_missing:
                 # Replace with values.
@@ -1340,6 +1343,9 @@
 
         # Reshape R20 to per experiment, spin and frequency.
         self.back_calc[:] = multiply.outer( R20.reshape(self.NE, self.NS, 
self.NM), self.no_nd_ones )
+
+        # Clean the data for all values, which is left over at the end of 
arrays.
+        self.back_calc = self.back_calc*self.disp_struct
 
         ## For all missing data points, set the back-calculated value to the 
measured values so that it has no effect on the chi-squared value.
         if self.has_missing:
@@ -1554,6 +1560,9 @@
             # Back calculate the R2eff values for each experiment type.
             self.r2eff_ns_mmq[ei](M0=self.M0, m1=self.m1, m2=self.m2, 
R20A=r20, R20B=r20, pA=pA, pB=pB, dw=aliased_dw, dwH=aliased_dwH, k_AB=k_AB, 
k_BA=k_BA, inv_tcpmg=self.inv_relax_times[ei], tcp=self.tau_cpmg[ei], 
back_calc=self.back_calc[ei], num_points=self.num_disp_points[ei], 
power=self.power[ei])
 
+            # Clean the data for all values, which is left over at the end 
of arrays.
+            self.back_calc[ei] = self.back_calc[ei]*self.disp_struct[ei]
+
             # For all missing data points, set the back-calculated value to 
the measured values so that it has no effect on the chi-squared value.
             if self.has_missing:
                 # Replace with values.
@@ -1811,7 +1820,6 @@
         return chi2_rankN(self.values, self.back_calc, self.errors)
 
 
-
     def func_TSMFK01(self, params):
         """Target function for the the Tollinger et al. (2001) 2-site 
very-slow exchange model, range of microsecond to second time scale.