r23923 - in /branches/disp_spin_speed: lib/dispersion/ target_functions/ test_suite/unit_tests/_lib/_dispersion/ -- June 13, 2014 - 11:55

Author: tlinnet
Date: Fri Jun 13 11:55:44 2014
New Revision: 23923

URL: http://svn.gna.org/viewcvs/relax?rev=23923&view=rev
Log:
Removed number of points, to be send to lib function of model DPL94.

Number of points are not used anymore.

Fixed in target function.
Fixed in lib function.
Fixed in corresponding unit tests

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

Modified:
    branches/disp_spin_speed/lib/dispersion/dpl94.py
    branches/disp_spin_speed/target_functions/relax_disp.py
    
branches/disp_spin_speed/test_suite/unit_tests/_lib/_dispersion/test_dpl94.py

Modified: branches/disp_spin_speed/lib/dispersion/dpl94.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/disp_spin_speed/lib/dispersion/dpl94.py?rev=23923&r1=23922&r2=23923&view=diff
==============================================================================
--- branches/disp_spin_speed/lib/dispersion/dpl94.py    (original)
+++ branches/disp_spin_speed/lib/dispersion/dpl94.py    Fri Jun 13 11:55:44 
2014
@@ -66,7 +66,7 @@
 from numpy import abs, any, array, cos, isfinite, min, sin, sum
 from numpy.ma import fix_invalid, masked_where
 
-def r1rho_DPL94(r1rho_prime=None, phi_ex=None, kex=None, theta=None, R1=0.0, 
spin_lock_fields2=None, back_calc=None, num_points=None):
+def r1rho_DPL94(r1rho_prime=None, phi_ex=None, kex=None, theta=None, R1=0.0, 
spin_lock_fields2=None, back_calc=None):
     """Calculate the R1rho values for the DPL94 model.
 
     See the module docstring for details.
@@ -86,8 +86,6 @@
     @type spin_lock_fields2:    numpy float array of rank 
[NE][NS][[NM][NO][ND]
     @keyword back_calc:         The array for holding the back calculated 
R1rho values.  Each element corresponds to the combination of theta and spin 
lock field.
     @type back_calc:            numpy float array of rank 
[NE][NS][[NM][NO][ND]
-    @keyword num_points:        The number of points on the dispersion 
curve, equal to the length of the spin_lock_fields and back_calc arguments.
-    @type num_points:           numpy int array of rank [NE][NS][[NM][NO][ND]
     """
 
     # Flag to tell if values should be replaced if numer is zero.

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=23923&r1=23922&r2=23923&view=diff
==============================================================================
--- branches/disp_spin_speed/target_functions/relax_disp.py     (original)
+++ branches/disp_spin_speed/target_functions/relax_disp.py     Fri Jun 13 
11:55:44 2014
@@ -1063,7 +1063,7 @@
         self.r20_struct[:] = multiply.outer( R20.reshape(self.NE, self.NS, 
self.NM), self.no_nd_struct )
 
         # Back calculate the R2eff values.
-        r1rho_DPL94(r1rho_prime=self.r20_struct, phi_ex=self.phi_ex_struct, 
kex=kex, theta=self.tilt_angles_a, R1=self.r1_a, 
spin_lock_fields2=self.spin_lock_omega1_squared_a, 
back_calc=self.back_calc_a, num_points=self.num_disp_points_a)
+        r1rho_DPL94(r1rho_prime=self.r20_struct, phi_ex=self.phi_ex_struct, 
kex=kex, theta=self.tilt_angles_a, R1=self.r1_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

Modified: 
branches/disp_spin_speed/test_suite/unit_tests/_lib/_dispersion/test_dpl94.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/disp_spin_speed/test_suite/unit_tests/_lib/_dispersion/test_dpl94.py?rev=23923&r1=23922&r2=23923&view=diff
==============================================================================
--- 
branches/disp_spin_speed/test_suite/unit_tests/_lib/_dispersion/test_dpl94.py 
      (original)
+++ 
branches/disp_spin_speed/test_suite/unit_tests/_lib/_dispersion/test_dpl94.py 
      Fri Jun 13 11:55:44 2014
@@ -66,7 +66,7 @@
         phi_ex_scaled, spin_lock_omega1_squared = 
self.param_conversion(pA=self.pA, dw=self.dw, sfrq=self.sfrq, 
spin_lock_nu1=self.spin_lock_nu1)
 
         # Calculate the R1rho values.
-        r1rho_DPL94(r1rho_prime=self.r1rho_prime, phi_ex=phi_ex_scaled, 
kex=self.kex, theta=self.theta, R1=self.r1, 
spin_lock_fields2=spin_lock_omega1_squared, back_calc=self.R1rho, 
num_points=self.num_points)
+        r1rho_DPL94(r1rho_prime=self.r1rho_prime, phi_ex=phi_ex_scaled, 
kex=self.kex, theta=self.theta, R1=self.r1, 
spin_lock_fields2=spin_lock_omega1_squared, back_calc=self.R1rho)
 
         # Compare to function value.
         r1rho_no_rex = self.r1 * cos(self.theta)**2 + self.r1rho_prime * 
sin(self.theta)**2