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fixup in pathfinderTest
1 parent e8701e7 commit c739ad8

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Lines changed: 4 additions & 1 deletion

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rmgpy/molecule/pathfinderTest.py

Lines changed: 4 additions & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -313,7 +313,7 @@ def test_c5h6o2(self):
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def test_c6h6o4(self):
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inchi = "InChI=1S/C6H6O4/c1-2-4-9-6(7)3-5-10-8/h2-3H,1,5H2"
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mol = Molecule().from_inchi(inchi)
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mol = Molecule().from_inchi(inchi, raise_atomtype_exception=False)
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start = mol.atoms[0]
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path = find_butadiene_end_with_charge(start)
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idx_path = [mol.atoms.index(atom) + 1 for atom in path[0::2]]
@@ -525,3 +525,6 @@ def test_hnnoo(self):
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mol = Molecule().from_smiles(smiles)
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paths = find_N5dc_radical_delocalization_paths(mol.atoms[1])
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self.assertTrue(paths)
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if __name__ == '__main__':
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unittest.main(testRunner=unittest.TextTestRunner(verbosity=2))

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