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1 parent 4073e82 commit 90fae6bCopy full SHA for 90fae6b
arkane/outputTest.py
@@ -63,7 +63,7 @@ def test_prettify(self):
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with open(os.path.join(benzyl_path, 'output.py'), 'r') as f:
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lines = f.readlines()
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self.assertIn('conformer(\n', lines)
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- self.assertIn(" E0 = (193.749, 'kJ/mol'),\n", lines)
+ self.assertIn(" E0 = (195.161, 'kJ/mol'),\n", lines)
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self.assertIn('thermo(\n', lines)
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self.assertIn(" Cp0 = (33.2579, 'J/(mol*K)'),\n", lines)
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