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Increase tolerance for rate check in pdep test
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Resolves #1682
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mliu49 committed Dec 4, 2019
1 parent b691b45 commit 7d68c0d
Showing 1 changed file with 3 additions and 1 deletion.
4 changes: 3 additions & 1 deletion arkane/pdepTest.py
Original file line number Diff line number Diff line change
Expand Up @@ -104,7 +104,9 @@ def test_pdep_job(self):
reaction_list = read_reactions_block(chem, dictionary)
rxn = reaction_list[0]
self.assertIsInstance(rxn.kinetics, Chebyshev)
self.assertAlmostEquals(rxn.kinetics.get_rate_coefficient(1000.0, 1.0), 88.88253229631246)
# Accept a delta of 0.2, which could result from numerical discrepancies
# See RMG-Py #1682 on GitHub for discussion
self.assertAlmostEquals(rxn.kinetics.get_rate_coefficient(1000.0, 1.0), 88.88253229631246, delta=0.2)

files = [f for f in os.listdir(os.path.join(self.directory, 'sensitivity', ''))
if os.path.isfile(os.path.join(self.directory, 'sensitivity', f))]
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