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fixup! Test that we can make a sample molecule for every atom type.
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rwest authored and JacksonBurns committed May 12, 2023
1 parent 27ed438 commit 16b09b0
Showing 1 changed file with 4 additions and 4 deletions.
8 changes: 4 additions & 4 deletions rmgpy/molecule/atomtypeTest.py
Original file line number Diff line number Diff line change
Expand Up @@ -135,15 +135,15 @@ def test_make_sample_molecule(self):
"""
failed = []
for name, atom_type in rmgpy.molecule.atomtype.ATOMTYPES.items():
adjlist = "1 {} ux".format(name)
adjlist = f"1 {name} ux"
group = rmgpy.molecule.Group().from_adjacency_list(adjlist)
try:
result = group.make_sample_molecule()
# logging.info("For {} made\n{}".format(name, result.to_adjacency_list()))
# logging.info(f"For {name} made\n{result.to_adjacency_list()}")
except:
logging.exception("Couldn't make sample molecule for atomType {}".format(name))
logging.exception(f"Couldn't make sample molecule for atomType {name}")
failed.append(name)
self.assertFalse(failed, "Couldn't make sample molecules for types {}".format(', '.join(failed)))
self.assertFalse(failed, f"Couldn't make sample molecules for types {', '.join(failed)}")

################################################################################

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