r25228 - in /trunk/test_suite/shared_data/curve_fitting/profiling: profiling_relax_fit.py relax_fit.pyr25228 - in /trunk/test_suite/shared_data/curve_fitting/profiling: profiling_relax_fit.py relax_fit.pyAuthor: 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