Author: tlinnet
Date: Fri Jun 20 17:54:32 2014
New Revision: 24215
URL: http://svn.gna.org/viewcvs/relax?rev=24215&view=rev
Log:
Removed m1 and m2 to be sent to target function of ns_mmq_3site_chi2.
They are 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_mmq_3site.py
branches/disp_spin_speed/target_functions/relax_disp.py
Modified: branches/disp_spin_speed/lib/dispersion/ns_mmq_3site.py
URL:
http://svn.gna.org/viewcvs/relax/branches/disp_spin_speed/lib/dispersion/ns_mmq_3site.py?rev=24215&r1=24214&r2=24215&view=diff
==============================================================================
--- branches/disp_spin_speed/lib/dispersion/ns_mmq_3site.py (original)
+++ branches/disp_spin_speed/lib/dispersion/ns_mmq_3site.py Fri Jun 20
17:54:32 2014
@@ -66,7 +66,7 @@
from lib.linear_algebra.matrix_power import square_matrix_power
-def r2eff_ns_mmq_3site_mq(M0=None, F_vector=array([1, 0, 0], float64),
m1=None, m2=None, R20A=None, R20B=None, R20C=None, pA=None, pB=None,
dw_AB=None, dw_AC=None, dwH_AB=None, dwH_AC=None, kex_AB=None, kex_BC=None,
kex_AC=None, inv_tcpmg=None, tcp=None, back_calc=None, num_points=None,
power=None):
+def r2eff_ns_mmq_3site_mq(M0=None, F_vector=array([1, 0, 0], float64),
R20A=None, R20B=None, R20C=None, pA=None, pB=None, dw_AB=None, dw_AC=None,
dwH_AB=None, dwH_AC=None, kex_AB=None, kex_BC=None, kex_AC=None,
inv_tcpmg=None, tcp=None, back_calc=None, num_points=None, power=None):
"""The 3-site numerical solution to the Bloch-McConnell equation for MQ
data.
The notation used here comes from:
@@ -84,10 +84,6 @@
@type M0: numpy float64, rank-1, 7D array
@keyword F_vector: The observable magnitisation vector. This
defaults to [1, 0] for X observable magnitisation.
@type F_vector: numpy rank-1, 3D float64 array
- @keyword m1: A complex numpy matrix to be populated.
- @type m1: numpy rank-2, 3D complex64 array
- @keyword m2: A complex numpy matrix to be populated.
- @type m2: numpy rank-2, 3D complex64 array
@keyword R20A: The transverse, spin-spin relaxation rate for
state A.
@type R20A: numpy float array of rank [NS][NM][NO][ND]
@keyword R20B: The transverse, spin-spin relaxation rate for
state B.
@@ -256,7 +252,7 @@
back_calc[si, mi, oi, i]= -inv_tcpmg[si, mi, oi, i]
* log(Mx / pA)
-def r2eff_ns_mmq_3site_sq_dq_zq(M0=None, F_vector=array([1, 0, 0], float64),
m1=None, m2=None, R20A=None, R20B=None, R20C=None, pA=None, pB=None,
dw_AB=None, dw_AC=None, dwH_AB=None, dwH_AC=None, kex_AB=None, kex_BC=None,
kex_AC=None, inv_tcpmg=None, tcp=None, back_calc=None, num_points=None,
power=None):
+def r2eff_ns_mmq_3site_sq_dq_zq(M0=None, F_vector=array([1, 0, 0], float64),
R20A=None, R20B=None, R20C=None, pA=None, pB=None, dw_AB=None, dw_AC=None,
dwH_AB=None, dwH_AC=None, kex_AB=None, kex_BC=None, kex_AC=None,
inv_tcpmg=None, tcp=None, back_calc=None, num_points=None, power=None):
"""The 3-site numerical solution to the Bloch-McConnell equation for SQ,
ZQ, and DQ data.
The notation used here comes from:
@@ -270,10 +266,6 @@
@type M0: numpy float64, rank-1, 7D array
@keyword F_vector: The observable magnitisation vector. This
defaults to [1, 0] for X observable magnitisation.
@type F_vector: numpy rank-1, 3D float64 array
- @keyword m1: A complex numpy matrix to be populated.
- @type m1: numpy rank-2, 3D complex64 array
- @keyword m2: A complex numpy matrix to be populated.
- @type m2: numpy rank-2, 3D complex64 array
@keyword R20A: The transverse, spin-spin relaxation rate for
state A.
@type R20A: numpy float array of rank [NS][NM][NO][ND]
@keyword R20B: The transverse, spin-spin relaxation rate for
state B.
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=24215&r1=24214&r2=24215&view=diff
==============================================================================
--- branches/disp_spin_speed/target_functions/relax_disp.py (original)
+++ branches/disp_spin_speed/target_functions/relax_disp.py Fri Jun 20
17:54:32 2014
@@ -729,7 +729,7 @@
aliased_dwH_AC = dw_AC_frq
# Back calculate the R2eff values for each experiment type.
- self.r2eff_ns_mmq[ei](M0=self.M0, m1=self.m1, m2=self.m2,
R20A=r20a, R20B=r20b, R20C=r20c, pA=pA, pB=pB, dw_AB=aliased_dw_AB,
dw_AC=aliased_dw_AC, dwH_AB=aliased_dwH_AB, dwH_AC=aliased_dwH_AC,
kex_AB=kex_AB, kex_BC=kex_BC, kex_AC=kex_AC,
inv_tcpmg=self.inv_relax_times[ei], tcp=self.tau_cpmg[ei],
back_calc=self.back_calc[ei], num_points=self.num_disp_points[ei],
power=self.power[ei])
+ self.r2eff_ns_mmq[ei](M0=self.M0, R20A=r20a, R20B=r20b,
R20C=r20c, pA=pA, pB=pB, dw_AB=aliased_dw_AB, dw_AC=aliased_dw_AC,
dwH_AB=aliased_dwH_AB, dwH_AC=aliased_dwH_AC, kex_AB=kex_AB, kex_BC=kex_BC,
kex_AC=kex_AC, inv_tcpmg=self.inv_relax_times[ei], tcp=self.tau_cpmg[ei],
back_calc=self.back_calc[ei], num_points=self.num_disp_points[ei],
power=self.power[ei])
# Clean the data for all values, which is left over at the end of
arrays.
self.back_calc = self.back_calc*self.disp_struct
r24215 - in /branches/disp_spin_speed: lib/dispersion/ns_mmq_3site.py target_functions/relax_disp.py