r23918 - /branches/disp_spin_speed/target_functions/relax_disp.py -- June 13, 2014 - 11:21

Author: tlinnet
Date: Fri Jun 13 11:21:16 2014
New Revision: 23918

URL: http://svn.gna.org/viewcvs/relax?rev=23918&view=rev
Log:
Removed number of points and pB to send to lib function of model TP02.

pB is calculated in lib function insted.

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=23918&r1=23917&r2=23918&view=diff
==============================================================================
--- branches/disp_spin_speed/target_functions/relax_disp.py     (original)
+++ branches/disp_spin_speed/target_functions/relax_disp.py     Fri Jun 13 
11:21:16 2014
@@ -1920,9 +1920,6 @@
         pA = params[self.end_index[1]]
         kex = params[self.end_index[1]+1]
 
-        # Once off parameter conversions.
-        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_a, out=self.dw_struct )
 
@@ -1930,7 +1927,7 @@
         self.r20_struct[:] = multiply.outer( R20.reshape(self.NE, self.NS, 
self.NM), self.no_nd_struct )
 
         # Back calculate the R1rho values.
-        r1rho_TP02(r1rho_prime=self.r20_struct, 
omega=self.chemical_shifts_a, offset=self.offset_a, pA=pA, pB=pB, 
dw=self.dw_struct, kex=kex, R1=self.r1_a, 
spin_lock_fields=self.spin_lock_omega1_a, 
spin_lock_fields2=self.spin_lock_omega1_squared_a, 
back_calc=self.back_calc_a, num_points=self.num_disp_points_a)
+        r1rho_TP02(r1rho_prime=self.r20_struct, 
omega=self.chemical_shifts_a, offset=self.offset_a, pA=pA, dw=self.dw_struct, 
kex=kex, R1=self.r1_a, spin_lock_fields=self.spin_lock_omega1_a, 
spin_lock_fields2=self.spin_lock_omega1_squared_a, back_calc=self.back_calc_a)
 
         # Clean the data for all values, which is left over at the end of 
arrays.
         self.back_calc_a = self.back_calc_a*self.disp_struct