[gmx-developers] Testing whole analysis output files
David van der Spoel
spoel at xray.bmc.uu.se
Fri Jul 24 08:49:23 CEST 2015
I'm trying to write a test for the output files generated in my energy
patch. However, the checkOutputfiles() compares files as blocks of
strings, which is not useful for floating point numbers. Is there a
simple way of testing such files as a bunch of numbers with a tolerance?
I looked in the trajectoryanalysis/tests but did not find anything
helpful there (or did not comprehend what is being done).
David van der Spoel, Ph.D., Professor of Biology
Dept. of Cell & Molec. Biol., Uppsala University.
Box 596, 75124 Uppsala, Sweden. Phone: +46184714205.
spoel at xray.bmc.uu.se http://folding.bmc.uu.se
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