Author: tlinnet
Date: Mon Jun 16 22:11:56 2014
New Revision: 24007
URL: http://svn.gna.org/viewcvs/relax?rev=24007&view=rev
Log:
Changed the calculation of inner product in model ns cpmg 2site 3d.
The out argument of numpy.dot is buggy, and should not be used.
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_3d.py
Modified: branches/disp_spin_speed/lib/dispersion/ns_cpmg_2site_3d.py
URL:
http://svn.gna.org/viewcvs/relax/branches/disp_spin_speed/lib/dispersion/ns_cpmg_2site_3d.py?rev=24007&r1=24006&r2=24007&view=diff
==============================================================================
--- branches/disp_spin_speed/lib/dispersion/ns_cpmg_2site_3d.py (original)
+++ branches/disp_spin_speed/lib/dispersion/ns_cpmg_2site_3d.py Mon Jun 16
22:11:56 2014
@@ -141,9 +141,6 @@
# The matrix R that contains all the contributions to the
evolution, i.e. relaxation, exchange and chemical shift evolution.
R = rcpmg_3d(R1A=r10a, R1B=r10b, R2A=R2A_si_mi, R2B=R2B_si_mi,
pA=pA, pB=pB, dw=dw_si_mi, k_AB=k_AB, k_BA=k_BA)
- # The essential evolution matrix. This initialises the structure.
- evolution_matrix = asarray(R) * 0.0
-
# Loop over the time points, back calculating the R2eff values.
for di in range(num_points_si_mi):
# Extract the values from the higher dimensional arrays.
@@ -160,10 +157,10 @@
# The essential evolution matrix.
# This is the first round.
- dot(Rexpo, r180x, evolution_matrix)
- dot(evolution_matrix * 1.0, Rexpo, evolution_matrix)
+ evolution_matrix = dot(Rexpo, r180x)
+ evolution_matrix = dot(evolution_matrix, Rexpo)
# The second round.
- dot(evolution_matrix * 1.0, evolution_matrix * 1.0,
evolution_matrix)
+ evolution_matrix = dot(evolution_matrix, evolution_matrix )
# Loop over the CPMG elements, propagating the magnetisation.
for j in range(power_si_mi_di):
r24007 - /branches/disp_spin_speed/lib/dispersion/ns_cpmg_2site_3d.py