[gmx-developers] TestReferenceChecker and floatin problem
David van der Spoel
spoel at xray.bmc.uu.se
Sun Jan 8 00:07:22 CET 2017
On 07/01/17 23:52, Mark Abraham wrote:
> You're using rootChecker like it was a getter method for an already
> allocated object, but it is a factory for objects. Call it once and keep
> the return value in a variable for use each time.
> Would naming it makeRootChecker have helped you understand that you
> don't want to call it more often than you intend to make a new checker?
Not sure. Teemu put me on the right track in gerrit, so it is under
control (and much simpler without rootChecker). Just ironing out the
> On Sat, 7 Jan 2017 21:54 David van der Spoel <spoel at xray.bmc.uu.se
> <mailto:spoel at xray.bmc.uu.se>> wrote:
> I'm trying to finalize some test code in my energy patch but getting
> stuck on not being able to change the tolerance. The problem is I'm
> using CommandLineTestBase as a base class, which has a function
> checkOutputFiles. The files are checked but I can not seem to modulate
> the floatingpointtolerance.
> E.g. when calling
> a fresh rootChecker is generateed for every call since in refdata.h
> we have
> * Each call returns an independent instance.
> TestReferenceChecker rootChecker();
> That means that by the time my code calls checkOutputFiles the tolerance
> settings are reset.
> 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 <mailto:spoel at xray.bmc.uu.se>
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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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