Skip to content

Commit 37ca456

Browse files
committed
Test more molecules in test_is_bicyclic1.
These should all be bicyclic.
1 parent b5b2cdb commit 37ca456

File tree

1 file changed

+5
-5
lines changed

1 file changed

+5
-5
lines changed

test/rmgpy/data/thermoTest.py

Lines changed: 5 additions & 5 deletions
Original file line numberDiff line numberDiff line change
@@ -2102,11 +2102,11 @@ def test_is_bicyclic1(self):
21022102
The test molecule is bicyclic, we expect is_bicyclic()
21032103
returns True.
21042104
"""
2105-
smiles = "C1=CCC2C1=C2"
2106-
mol = Molecule().from_smiles(smiles)
2107-
polyring = mol.get_disparate_cycles()[1][0]
2108-
2109-
assert is_bicyclic(polyring)
2105+
for smiles in ["C1=CCC2C1=C2", "C1=CC2C=CC1=CC2", "C1=CC2C=CC=1C=C2"]:
2106+
mol = Molecule().from_smiles(smiles)
2107+
polyrings = mol.get_disparate_cycles()[1]
2108+
assert len(polyrings) == 1
2109+
assert is_bicyclic(polyrings[0])
21102110

21112111
def test_is_bicyclic2(self):
21122112
"""

0 commit comments

Comments
 (0)