[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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