Author: tlinnet
Date: Fri Jun 20 19:44:03 2014
New Revision: 24222
URL: http://svn.gna.org/viewcvs/relax?rev=24222&view=rev
Log:
Removed the parameter "matrix" to be send to lib function of ns r1rho 3site,
since it is 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_r1rho_3site.py
branches/disp_spin_speed/target_functions/relax_disp.py
Modified: branches/disp_spin_speed/lib/dispersion/ns_r1rho_3site.py
URL:
http://svn.gna.org/viewcvs/relax/branches/disp_spin_speed/lib/dispersion/ns_r1rho_3site.py?rev=24222&r1=24221&r2=24222&view=diff
==============================================================================
--- branches/disp_spin_speed/lib/dispersion/ns_r1rho_3site.py (original)
+++ branches/disp_spin_speed/lib/dispersion/ns_r1rho_3site.py Fri Jun 20
19:44:03 2014
@@ -65,7 +65,7 @@
from lib.linear_algebra.matrix_exponential import matrix_exponential,
matrix_exponential_rankN
-def ns_r1rho_3site(M0=None, matrix=None, r1rho_prime=None, omega=None,
offset=None, r1=0.0, pA=None, pB=None, dw_AB=None, dw_AC=None, kex_AB=None,
kex_BC=None, kex_AC=None, spin_lock_fields=None, relax_time=None,
inv_relax_time=None, back_calc=None, num_points=None):
+def ns_r1rho_3site(M0=None, r1rho_prime=None, omega=None, offset=None,
r1=0.0, pA=None, pB=None, dw_AB=None, dw_AC=None, kex_AB=None, kex_BC=None,
kex_AC=None, spin_lock_fields=None, relax_time=None, inv_relax_time=None,
back_calc=None, num_points=None):
"""The 3-site numerical solution to the Bloch-McConnell equation for
R1rho data.
This function calculates and stores the R1rho values.
@@ -73,8 +73,6 @@
@keyword M0: This is a vector that contains the initial
magnetizations corresponding to the A and B state transverse magnetizations.
@type M0: numpy float64, rank-1, 7D array
- @keyword matrix: A numpy array to be populated to create the
evolution matrix.
- @type matrix: numpy rank-2, 9D float64 array
@keyword r1rho_prime: The R1rho_prime parameter value (R1rho with
no exchange).
@type r1rho_prime: numpy float array of rank [NS][NM][NO][ND]
@keyword omega: The chemical shift for the spin in rad/s.
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=24222&r1=24221&r2=24222&view=diff
==============================================================================
--- branches/disp_spin_speed/target_functions/relax_disp.py (original)
+++ branches/disp_spin_speed/target_functions/relax_disp.py Fri Jun 20
19:44:03 2014
@@ -775,7 +775,7 @@
self.r20_struct[:] = multiply.outer( r1rho_prime.reshape(self.NE,
self.NS, self.NM), self.no_nd_ones )
# Back calculate the R2eff values for each experiment type.
- ns_r1rho_3site(M0=self.M0, matrix=self.matrix,
r1rho_prime=self.r20_struct, omega=self.chemical_shifts, offset=self.offset,
r1=self.r1, pA=pA, pB=pB, dw_AB=self.dw_AB_struct, dw_AC=self.dw_AC_struct,
kex_AB=kex_AB, kex_BC=kex_BC, kex_AC=kex_AC,
spin_lock_fields=self.spin_lock_omega1, relax_time=self.relax_times,
inv_relax_time=self.inv_relax_times, back_calc=self.back_calc,
num_points=self.num_disp_points)
+ ns_r1rho_3site(M0=self.M0, r1rho_prime=self.r20_struct,
omega=self.chemical_shifts, offset=self.offset, r1=self.r1, pA=pA, pB=pB,
dw_AB=self.dw_AB_struct, dw_AC=self.dw_AC_struct, kex_AB=kex_AB,
kex_BC=kex_BC, kex_AC=kex_AC, spin_lock_fields=self.spin_lock_omega1,
relax_time=self.relax_times, inv_relax_time=self.inv_relax_times,
back_calc=self.back_calc, num_points=self.num_disp_points)
# Clean the data for all values, which is left over at the end of
arrays.
self.back_calc = self.back_calc*self.disp_struct
r24222 - in /branches/disp_spin_speed: lib/dispersion/ns_r1rho_3site.py target_functions/relax_disp.py