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Tests: Species index attr
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arc/species/species_test.py

Lines changed: 14 additions & 0 deletions
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@@ -2767,6 +2767,20 @@ def test_hash(self):
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self.assertEqual(len(s), 2)
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self.assertIn(self.spc1, s)
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def test_species_indexing(self):
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"""Test species indexing in ARCSpecies."""
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spc_a = ARCSpecies(label='spc_a', smiles='C')
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spc_b = ARCSpecies(label='spc_b', smiles='CC')
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spc_c = ARCSpecies(label='spc_c', smiles='CCC')
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species_list = [spc_a, spc_b, spc_c]
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for index, spc in enumerate(species_list):
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spc.index = index
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self.assertEqual(spc_a.index, 0)
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self.assertEqual(spc_b.index, 1)
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self.assertEqual(spc_c.index, 2)
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class TestTSGuess(unittest.TestCase):
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"""

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