Author: tlinnet
Date: Wed Jun 25 02:14:52 2014
New Revision: 24303
URL: http://svn.gna.org/viewcvs/relax?rev=24303&view=rev
Log:
Changes to unit test of NS CPMG 2site 3D.
This is after the new initiated M0 matrix in init of target function.
Task #7807 (https://gna.org/task/index.php?7807): Speed-up of dispersion
models for Clustered analysis.
Modified:
branches/disp_spin_speed/test_suite/unit_tests/_lib/_dispersion/test_ns_cpmg_2site_3d.py
Modified:
branches/disp_spin_speed/test_suite/unit_tests/_lib/_dispersion/test_ns_cpmg_2site_3d.py
URL:
http://svn.gna.org/viewcvs/relax/branches/disp_spin_speed/test_suite/unit_tests/_lib/_dispersion/test_ns_cpmg_2site_3d.py?rev=24303&r1=24302&r2=24303&view=diff
==============================================================================
---
branches/disp_spin_speed/test_suite/unit_tests/_lib/_dispersion/test_ns_cpmg_2site_3d.py
(original)
+++
branches/disp_spin_speed/test_suite/unit_tests/_lib/_dispersion/test_ns_cpmg_2site_3d.py
Wed Jun 25 02:14:52 2014
@@ -20,7 +20,7 @@
###############################################################################
# Python module imports.
-from numpy import array, float64, int16, ones, pi, zeros
+from numpy import array, float64, int16, ones, pi, rollaxis, zeros
from unittest import TestCase
# relax module imports.
@@ -45,10 +45,6 @@
# The 3D rotation matrix for an imperfect X-axis pi-pulse.
self.r180x = r180x_3d()
- # This is a vector that contains the initial magnetizations
corresponding to the A and B state transverse magnetizations.
- self.M0 = zeros(7, float64)
- self.M0[0] = 0.5
-
self.num_points = 7
self.ncyc = array([2, 4, 8, 10, 20, 40, 500])
relax_times = 0.04
@@ -62,18 +58,25 @@
# The spin Larmor frequencies.
self.sfrq = 200. * 1E6
+ # This is a vector that contains the initial magnetizations
corresponding to the A and B state transverse magnetizations.
+ M0_0 = zeros( [1, 1, 1, 1, 1, 7, 1], float64)
+ M0_0[:, :, :, :, :, 0, 0] = 0.5
+ self.M0 = M0_0
+ # Transpose M0, to prepare for dot operation. Roll the last axis one
back, corresponds to a transpose for the outer two axis.
+ self.M0_T = rollaxis(self.M0, 6, 5)
+
def calc_r2eff(self):
"""Calculate and check the R2eff values."""
# Parameter conversions.
- k_AB, k_BA, pB, dw_frq, M0 = self.param_conversion(pA=self.pA,
kex=self.kex, dw=self.dw, sfrq=self.sfrq, M0=self.M0)
+ k_AB, k_BA, pB, dw_frq = self.param_conversion(pA=self.pA,
kex=self.kex, dw=self.dw, sfrq=self.sfrq)
a = ones(self.array_shape)
b = ones([1, 1, 1, 1])
# Calculate the R2eff values.
- r2eff_ns_cpmg_2site_3D(r180x=self.r180x, M0=M0, r20a=self.r20a*a,
r20b=self.r20b*a, pA=self.pA, dw=dw_frq*a, dw_orig=dw_frq*a, kex=self.kex,
inv_tcpmg=self.inv_relax_times*a, tcp=self.tau_cpmg*a, back_calc=self.R2eff,
num_points=self.num_points*b, power=self.ncyc*a)
+ r2eff_ns_cpmg_2site_3D(r180x=self.r180x, M0=self.M0, M0_T=self.M0_T,
r20a=self.r20a*a, r20b=self.r20b*a, pA=self.pA, dw=dw_frq*a,
dw_orig=dw_frq*a, kex=self.kex, inv_tcpmg=self.inv_relax_times*a,
tcp=self.tau_cpmg*a, back_calc=self.R2eff, num_points=self.num_points*b,
power=self.ncyc*a)
if self.kex >= 1.e5:
for i in range(self.num_points):
@@ -83,7 +86,7 @@
self.assertAlmostEqual(self.R2eff[0][0][0][0][i], self.r20a)
- def param_conversion(self, pA=None, kex=None, dw=None, sfrq=None,
M0=None):
+ def param_conversion(self, pA=None, kex=None, dw=None, sfrq=None):
"""Convert the parameters.
@keyword pA: The population of state A.
@@ -103,10 +106,6 @@
# Calculate pB.
pB = 1.0 - pA
- # This is a vector that contains the initial magnetizations
corresponding to the A and B state transverse magnetizations.
- M0[1] = pA
- M0[4] = pB
-
# Exchange rates.
k_BA = pA * kex
k_AB = pB * kex
@@ -118,7 +117,7 @@
dw_frq = dw * frqs / 1.e6
# Return all values.
- return k_AB, k_BA, pB, dw_frq, M0
+ return k_AB, k_BA, pB, dw_frq
def test_ns_cpmg_2site_3D_no_rex1(self):
r24303 - /branches/disp_spin_speed/test_suite/unit_tests/_lib/_dispersion/test_ns_cpmg_2site_3d.py