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moleculeTest fails #652

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ghutchis opened this issue Dec 6, 2012 · 0 comments
Closed

moleculeTest fails #652

ghutchis opened this issue Dec 6, 2012 · 0 comments
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auto-migrated low priority v_1.1.0

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ghutchis commented Dec 6, 2012

FAIL! : MoleculeTest::radius() Compared doubles are not the same (fuzzy compare)
Actual (m_molecule->radius()): 1.5
Expected (1.24373429638327494): 1.24373
Loc: [/var/tmp/portage/sci-chemistry/avogadro-1.1.0/work/avogadro-1.1.0/libavogadro/tests/moleculetest.cpp(292)]

using openbabel-2.3.1 on a gentoo Linux system.

Reported by: jlec
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