Author: tlinnet
Date: Thu Jun 19 20:52:53 2014
New Revision: 24169
URL: http://svn.gna.org/viewcvs/relax?rev=24169&view=rev
Log:
Made the function use the new multidimensional R_mat matrix.
Systemtest: test_tp02_data_to_ns_r1rho_2site
still passes.
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_2site.py
Modified: branches/disp_spin_speed/lib/dispersion/ns_r1rho_2site.py
URL:
http://svn.gna.org/viewcvs/relax/branches/disp_spin_speed/lib/dispersion/ns_r1rho_2site.py?rev=24169&r1=24168&r2=24169&view=diff
==============================================================================
--- branches/disp_spin_speed/lib/dispersion/ns_r1rho_2site.py (original)
+++ branches/disp_spin_speed/lib/dispersion/ns_r1rho_2site.py Thu Jun 19
20:52:53 2014
@@ -136,17 +136,7 @@
# Loop over the time points, back calculating the R2eff
values.
for j in range(num_points_i):
# The matrix that contains all the contributions to
the evolution, i.e. relaxation, exchange and chemical shift evolution.
- rr1rho_3d(matrix=matrix, R1=r1_i,
r1rho_prime=r1rho_prime_i[j], pA=pA, pB=pB, wA=dA, wB=dB,
w1=spin_lock_fields_i[j], k_AB=k_AB, k_BA=k_BA)
-
- matrix_time = matrix*relax_time_i[j]
-
R_mat_i = R_mat[0, si, mi, oi, j]
- diff = matrix_time - R_mat_i
- if abs(sum(diff)) > 1.0e-13:
- print sum(diff)
- import sys
- sys.exit()
-
# The following lines rotate the magnetization
previous to spin-lock into the weff frame.
theta = atan2(spin_lock_fields_i[j], dA)
@@ -154,7 +144,7 @@
M0[2] = cos(theta) # The A state initial Z
magnetisation.
# This matrix is a propagator that will evolve the
magnetization with the matrix R.
- Rexpo = matrix_exponential(matrix_time)
+ Rexpo = matrix_exponential(R_mat_i)
# Magnetization evolution.
MA = dot(M0, dot(Rexpo, M0))
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Re: r24169 - /branches/disp_spin_speed/lib/dispersion/ns_r1rho_2site.py