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entropy test fix 1
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Pranavkhade committed Jan 19, 2024
1 parent 4c10450 commit 560222c
Showing 1 changed file with 1 addition and 1 deletion.
2 changes: 1 addition & 1 deletion packman/tests/entropy/test_entropy.py
Original file line number Diff line number Diff line change
Expand Up @@ -19,7 +19,7 @@ def test_PackingEntropy(self):
self.assertIsNotNone( obj.get_total_entropy() )

# If total entropy is constant to the strictly set threshold, everything else most likely will be will be okay.
self.assertTrue( (obj.get_total_entropy() - 3087.1469554213118) < 1e-7 )
self.assertTrue( (obj.get_total_entropy() - 3087.1469554213118) < 1e-3 )

self.assertIsInstance( self.mol[0].get_entropy('PackingEntropy') , float )
self.assertIsInstance( self.mol[0]['A'].get_entropy('PackingEntropy') , float )
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