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change site index because of site sorting
1 parent 98a3d63 commit a05f06f

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Lines changed: 2 additions & 2 deletions

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tests/featurizers/site/test_fingerprint.py

Lines changed: 2 additions & 2 deletions
Original file line numberDiff line numberDiff line change
@@ -285,7 +285,7 @@ def test_chemenv_site_fingerprint(self):
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self.assertEqual(len(cevals), 61)
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self.assertAlmostEqual(cevals[l.index("O:6")], 1, places=7)
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self.assertAlmostEqual(cevals[l.index("C:8")], 0, places=7)
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cevals = cefp.featurize(self.cscl, 0)
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cevals = cefp.featurize(self.cscl, 1)
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self.assertAlmostEqual(cevals[l.index("C:8")], 0.9953721, places=7)
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self.assertAlmostEqual(cevals[l.index("O:6")], 0, places=7)
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cefp = ChemEnvSiteFingerprint.from_preset("simple")
@@ -294,7 +294,7 @@ def test_chemenv_site_fingerprint(self):
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self.assertEqual(len(cevals), 61)
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self.assertAlmostEqual(cevals[l.index("O:6")], 1, places=7)
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self.assertAlmostEqual(cevals[l.index("C:8")], 0, places=7)
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cevals = cefp.featurize(self.cscl, 0)
297+
cevals = cefp.featurize(self.cscl, 1)
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self.assertAlmostEqual(cevals[l.index("C:8")], 0.9953721, places=7)
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self.assertAlmostEqual(cevals[l.index("O:6")], 0, places=7)
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cevals = cefp.featurize(self.ni3al, 0) # Added after issue #945

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