From 0e9f7481c8bafc75d0bc8cdb9204636caecfa8eb Mon Sep 17 00:00:00 2001 From: Max Liu <mjliu@mit.edu> Date: Fri, 6 Dec 2019 14:37:09 -0500 Subject: [PATCH] Increase tolerance for rate check in pdep test Resolves #1682 --- arkane/pdepTest.py | 6 ++++-- 1 file changed, 4 insertions(+), 2 deletions(-) diff --git a/arkane/pdepTest.py b/arkane/pdepTest.py index 8081372b335..dba1bbbcac0 100644 --- a/arkane/pdepTest.py +++ b/arkane/pdepTest.py @@ -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))] @@ -116,7 +118,7 @@ def test_pdep_job(self): if '1000.0' in line: break sa_coeff = line.split()[-2] - self.assertEquals(float(sa_coeff), -8.23e-6) + self.assertAlmostEquals(float(sa_coeff), -8.23e-6, delta=0.2e-6) @classmethod def tearDown(cls):