Avoid rounding errors affecting results in one test
authorTeemu Murtola <teemu.murtola@gmail.com>
Thu, 30 Apr 2015 09:53:15 +0000 (12:53 +0300)
committerGerrit Code Review <gerrit@gerrit.gromacs.org>
Tue, 5 May 2015 15:44:10 +0000 (17:44 +0200)
commitf42a9e9a3ea32a359418957b43a612fc5bd8187d
tree437e518cd3388f7fff671893c204faaeb53076f5
parent28e289ba71cb3c64f216aa5262335956a78da6eb
Avoid rounding errors affecting results in one test

Change the input for one of 'gmx gangle' tests such that it does not
produce angles that are exactly at an edge of the three-bin histogram
used in the test.  Rounding could affect the bin into which the angle
was assigned to, causing the test to fail erroneously.

Fixes #1716

Change-Id: I9979a8dfee0b870b3904fa28e274540f892f542d
src/gromacs/trajectoryanalysis/tests/angle.cpp
src/gromacs/trajectoryanalysis/tests/refdata/AngleModuleTest_HandlesOneVsMultipleVectorGroupsAngles.xml