Author: tlinnet
Date: Mon Aug 25 01:08:44 2014
New Revision: 25228
URL: http://svn.gna.org/viewcvs/relax?rev=25228&view=rev
Log:
Further improved the profiling of relax curve fit.
This profiling shows, that Python code is about twice as slow as the C code
implemented.
But it also shows that optimising with scipy.optimize.leastsq is 20 X faster.
It also gives reasonable error values.
Combining a function for a linear fit to guess the initial values, together
with scipy optimise, will be an extreme time win for estimating R2eff values
fast.
A further test would be to use relax Monte-Carlo simulations for say 1000-2000
iterations,
and compare to the errors extracted from estimated covariance.
Added:
trunk/test_suite/shared_data/curve_fitting/profiling/relax_fit.py
Modified:
trunk/test_suite/shared_data/curve_fitting/profiling/profiling_relax_fit.py
[This mail would be too long, it was shortened to contain the URLs only.]
Modified:
trunk/test_suite/shared_data/curve_fitting/profiling/profiling_relax_fit.py
URL:
http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/curve_fitting/profiling/profiling_relax_fit.py?rev=25228&r1=25227&r2=25228&view=diff
Added: trunk/test_suite/shared_data/curve_fitting/profiling/relax_fit.py
URL:
http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/curve_fitting/profiling/relax_fit.py?rev=25228&view=auto
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