[gmx-developers] New statistics mini-library

David van der Spoel spoel at xray.bmc.uu.se
Mon Feb 23 21:36:24 CET 2009


I've implemented a small library with some statistics functions 
(line-fitting, correlation coefficient, histograms and a bit more), 
based on old code that was shattered around the analysis tools, but with 
a cleaner interface, and with a test program. The idea is to extend the 
library with more general statistics functions as may be needed (e.g. 
stuff from g_analyze).

The  question I have is whether this should be made part of the analysis 
library or the gmx library, and whether this should be stored in a 
separate directory. For clarity and simplicity, I would propose putting 
it in a separate directory in the gmxlib directory, as it is not 
impossible that such functionality may be needed from mdrun as well.

David van der Spoel, Ph.D., Professor of Biology
Molec. Biophys. group, Dept. of Cell & Molec. Biol., Uppsala University.
Box 596, 75124 Uppsala, Sweden. Phone:	+46184714205. Fax: +4618511755.
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://folding.bmc.uu.se

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