mailr24208 - in /branches/disp_spin_speed: lib/dispersion/ns_mmq_2site.py target_functions/relax_disp.py


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Posted by tlinnet on June 20, 2014 - 17:42:
Author: tlinnet
Date: Fri Jun 20 17:42:48 2014
New Revision: 24208

URL: http://svn.gna.org/viewcvs/relax?rev=24208&view=rev
Log:
Removed m1 and m2 to be sent to lib function of ns mmq 2site, since they are 
now populated inside the lib function.

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

Modified:
    branches/disp_spin_speed/lib/dispersion/ns_mmq_2site.py
    branches/disp_spin_speed/target_functions/relax_disp.py

Modified: branches/disp_spin_speed/lib/dispersion/ns_mmq_2site.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/disp_spin_speed/lib/dispersion/ns_mmq_2site.py?rev=24208&r1=24207&r2=24208&view=diff
==============================================================================
--- branches/disp_spin_speed/lib/dispersion/ns_mmq_2site.py     (original)
+++ branches/disp_spin_speed/lib/dispersion/ns_mmq_2site.py     Fri Jun 20 
17:42:48 2014
@@ -60,7 +60,7 @@
 from lib.linear_algebra.matrix_power import square_matrix_power
 
 
-def r2eff_ns_mmq_2site_mq(M0=None, F_vector=array([1, 0], float64), m1=None, 
m2=None, R20A=None, R20B=None, pA=None, dw=None, dwH=None, kex=None, 
inv_tcpmg=None, tcp=None, back_calc=None, num_points=None, power=None):
+def r2eff_ns_mmq_2site_mq(M0=None, F_vector=array([1, 0], float64), 
R20A=None, R20B=None, pA=None, dw=None, dwH=None, kex=None, inv_tcpmg=None, 
tcp=None, back_calc=None, num_points=None, power=None):
     """The 2-site numerical solution to the Bloch-McConnell equation for MQ 
data.
 
     The notation used here comes from:
@@ -243,10 +243,6 @@
     @type M0:               numpy float64, rank-1, 7D array
     @keyword F_vector:      The observable magnitisation vector.  This 
defaults to [1, 0] for X observable magnitisation.
     @type F_vector:         numpy rank-1, 2D float64 array
-    @keyword m1:            A complex numpy matrix to be populated.
-    @type m1:               numpy rank-2, 2D complex64 array
-    @keyword m2:            A complex numpy matrix to be populated.
-    @type m2:               numpy rank-2, 2D complex64 array
     @keyword R20A:          The transverse, spin-spin relaxation rate for 
state A.
     @type R20A:             numpy float array of rank [NS][NM][NO][ND]
     @keyword R20B:          The transverse, spin-spin relaxation rate for 
state B.

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=24208&r1=24207&r2=24208&view=diff
==============================================================================
--- branches/disp_spin_speed/target_functions/relax_disp.py     (original)
+++ branches/disp_spin_speed/target_functions/relax_disp.py     Fri Jun 20 
17:42:48 2014
@@ -1506,7 +1506,7 @@
                 aliased_dwH = dw_frq
 
             # 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, dw=aliased_dw, dwH=aliased_dwH, kex=kex, 
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])
+            self.r2eff_ns_mmq[ei](M0=self.M0, R20A=r20, R20B=r20, pA=pA, 
dw=aliased_dw, dwH=aliased_dwH, kex=kex, 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 = self.back_calc*self.disp_struct




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