We read every piece of feedback, and take your input very seriously.
To see all available qualifiers, see our documentation.
1 parent 3736a3d commit 445f6eeCopy full SHA for 445f6ee
1 file changed
arc/species/species_test.py
@@ -2767,6 +2767,20 @@ def test_hash(self):
2767
self.assertEqual(len(s), 2)
2768
self.assertIn(self.spc1, s)
2769
2770
+ def test_species_indexing(self):
2771
+ """Test species indexing in ARCSpecies."""
2772
+ spc_a = ARCSpecies(label='spc_a', smiles='C')
2773
+ spc_b = ARCSpecies(label='spc_b', smiles='CC')
2774
+ spc_c = ARCSpecies(label='spc_c', smiles='CCC')
2775
+
2776
+ species_list = [spc_a, spc_b, spc_c]
2777
+ for index, spc in enumerate(species_list):
2778
+ spc.index = index
2779
2780
+ self.assertEqual(spc_a.index, 0)
2781
+ self.assertEqual(spc_b.index, 1)
2782
+ self.assertEqual(spc_c.index, 2)
2783
2784
2785
class TestTSGuess(unittest.TestCase):
2786
"""
0 commit comments