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Fixed handling for SMIRKS/SMARTS, adjusted test values as they are now cleaned, refactored logic for object update

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This commit is contained in:
Tim Lorsbach
2025-11-11 10:09:22 +01:00
parent db9036ce72
commit 35c342a3e3
5 changed files with 163 additions and 46 deletions
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tests/test_rule_model.py
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@ -29,7 +29,7 @@ class RuleTest(TestCase):
self.assertEqual(r.name, "bt0022-2833")
self.assertEqual(
r.description,
"Dihalomethyl derivative + Halomethyl derivative > 1-Halo-1-methylalcohol derivative + 1-Methylalcohol derivative",
"Dihalomethyl derivative + Halomethyl derivative > 1-Halo-1-methylalcohol derivative + 1-Methylalcohol derivative",
)
def test_smirks_are_trimmed(self):