Author: tlinnet
Date: Fri Jun 20 08:53:30 2014
New Revision: 24188
URL: http://svn.gna.org/viewcvs/relax?rev=24188&view=rev
Log:
Removed input of matrix, Rr, Rex, RCS and R to model NS CPMG 2site star.
These matrixes is now extracted from ns matrix function rcpmg_star_rankN.
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_cpmg_2site_star.py
branches/disp_spin_speed/target_functions/relax_disp.py
Modified: branches/disp_spin_speed/lib/dispersion/ns_cpmg_2site_star.py
URL:
http://svn.gna.org/viewcvs/relax/branches/disp_spin_speed/lib/dispersion/ns_cpmg_2site_star.py?rev=24188&r1=24187&r2=24188&view=diff
==============================================================================
--- branches/disp_spin_speed/lib/dispersion/ns_cpmg_2site_star.py
(original)
+++ branches/disp_spin_speed/lib/dispersion/ns_cpmg_2site_star.py Fri
Jun 20 08:53:30 2014
@@ -67,20 +67,12 @@
from lib.linear_algebra.matrix_power import square_matrix_power
-def r2eff_ns_cpmg_2site_star(Rr=None, Rex=None, RCS=None, R=None, M0=None,
r20a=None, r20b=None, pA=None, dw=None, dw_orig=None, kex=None,
inv_tcpmg=None, tcp=None, back_calc=None, num_points=None, power=None):
+def r2eff_ns_cpmg_2site_star(M0=None, r20a=None, r20b=None, pA=None,
dw=None, dw_orig=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 using
complex conjugate matrices.
This function calculates and stores the R2eff values.
- @keyword Rr: The matrix that contains only the R2 relaxation
terms ("Redfield relaxation", i.e. non-exchange broadening).
- @type Rr: numpy complex64, rank-2, 2D array
- @keyword Rex: The matrix that contains the exchange terms
between the two states A and B.
- @type Rex: numpy complex64, rank-2, 2D array
- @keyword RCS: The matrix that contains the chemical shift
evolution. It works here only with X magnetization, and the complex notation
allows to evolve in the transverse plane (x, y).
- @type RCS: numpy complex64, rank-2, 2D array
- @keyword R: The matrix that contains all the contributions
to the evolution, i.e. relaxation, exchange and chemical shift evolution.
- @type R: numpy complex64, rank-2, 2D array
@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, 2D array
@keyword r20a: The R2 value for state A in the absence of
exchange.
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=24188&r1=24187&r2=24188&view=diff
==============================================================================
--- branches/disp_spin_speed/target_functions/relax_disp.py (original)
+++ branches/disp_spin_speed/target_functions/relax_disp.py Fri Jun 20
08:53:30 2014
@@ -633,7 +633,7 @@
self.r20b_struct[:] = multiply.outer( R20B.reshape(self.NE, self.NS,
self.NM), self.no_nd_ones )
# Back calculate the R2eff values.
- r2eff_ns_cpmg_2site_star(Rr=self.Rr, Rex=self.Rex, RCS=self.RCS,
R=self.R, M0=self.M0, r20a=self.r20a_struct, r20b=self.r20b_struct, pA=pA,
dw=self.dw_struct, dw_orig=dw, kex=kex, inv_tcpmg=self.inv_relax_times,
tcp=self.tau_cpmg, back_calc=self.back_calc, num_points=self.num_disp_points,
power=self.power)
+ r2eff_ns_cpmg_2site_star(M0=self.M0, r20a=self.r20a_struct,
r20b=self.r20b_struct, pA=pA, dw=self.dw_struct, dw_orig=dw, kex=kex,
inv_tcpmg=self.inv_relax_times, tcp=self.tau_cpmg, back_calc=self.back_calc,
num_points=self.num_disp_points, power=self.power)
# Clean the data for all values, which is left over at the end of
arrays.
self.back_calc = self.back_calc*self.disp_struct
r24188 - in /branches/disp_spin_speed: lib/dispersion/ns_cpmg_2site_star.py target_functions/relax_disp.py