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Two more test molecules for adsorbate drawing.
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rwest committed Nov 8, 2024
1 parent 89990ad commit fd5bdfa
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2 changes: 2 additions & 0 deletions test/rmgpy/molecule/drawTest.py
Original file line number Diff line number Diff line change
Expand Up @@ -287,6 +287,8 @@ def test_draw_bidentate_adsorbate(self):
25 X u0 p0 c0 {8,S}
26 X u0 p0 c0 {3,S}
"""))
test_molecules.append(Molecule(smiles="*CC(*)(C*)OCC#*"))
test_molecules.append(Molecule(smiles="*CC(*)(C*)C*"))
for number, molecule in enumerate(test_molecules, 1):
path = f"test_polydentate_{number}.png"
if os.path.exists(path):
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