Author: tlinnet
Date: Thu Jun 12 12:12:58 2014
New Revision: 23864
URL: http://svn.gna.org/viewcvs/relax?rev=23864&view=rev
Log:
Changed target function for model CR72.
To CR72 is now also the input of the parameters of R20A, R20B and dw.
dw is tested for zero, to return flat lines.
It is faster to search in the smaller numpy array, than the 5 dimensional dw
array.
This is for speed-up.
R20A and R20B is also subtracted, to see if the full model should be used.
In the same way, it is faster to subtract the smaller array.
These small tricks are expected to give 5-10 pct. speeed-up.
Task #7807 (https://gna.org/task/index.php?7807): Speed-up of dispersion
models for Clustered analysis.
Modified:
branches/disp_spin_speed/target_functions/relax_disp.py
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=23864&r1=23863&r2=23864&view=diff
==============================================================================
--- branches/disp_spin_speed/target_functions/relax_disp.py (original)
+++ branches/disp_spin_speed/target_functions/relax_disp.py Thu Jun 12
12:12:58 2014
@@ -562,7 +562,7 @@
self.r20b_struct[:] = multiply.outer( R20B.reshape(self.NE, self.NS,
self.NM), self.no_nd_struct )
## Back calculate the R2eff values.
- r2eff_CR72(r20a=self.r20a_struct, r20b=self.r20b_struct, pA=pA,
dw=self.dw_struct, kex=kex, cpmg_frqs=self.cpmg_frqs_a,
back_calc=self.back_calc_a, num_points=self.num_disp_points_a)
+ r2eff_CR72(r20a=self.r20a_struct, r20a_orig=R20A,
r20b=self.r20b_struct, r20b_orig=R20B, pA=pA, dw=self.dw_struct, dw_orig=dw,
kex=kex, cpmg_frqs=self.cpmg_frqs_a, back_calc=self.back_calc_a,
num_points=self.num_disp_points_a)
# Clean the data for all values, which is left over at the end of
arrays.
self.back_calc_a = self.back_calc_a*self.disp_struct
r23864 - /branches/disp_spin_speed/target_functions/relax_disp.py