Modified force field constraint tests to be more robust #503
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| @@ -1439,7 +1440,7 @@ void testMMFFAllConstraints(){ | |||
| dc = new ForceFields::MMFF::DistanceConstraintContrib(field, 1, 3, 2.0, 2.0, 1.0e5); | |||
| field->contribs().push_back(ForceFields::ContribPtr(dc)); | |||
| field->minimize(); | |||
| TEST_ASSERT(MolTransforms::getBondLength(mol->getConformer(), 1, 3) > 1.99); | |||
| TEST_ASSERT(RDKit::round(MolTransforms::getBondLength(mol->getConformer(), 1, 3)) == 2); | |||
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I'm going to go ahead and accept the PR, because this isn't a major thing, but the usual style for this kind of test is to use the feq() function instead of round()
greglandrum
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May 6, 2015
Modified force field constraint tests to be more robust
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