fix(rdkit): replace FractionCsp3 with Lipinski.FractionCSP3#97
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jiaodu1307 wants to merge 2 commits into
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fix(rdkit): replace FractionCsp3 with Lipinski.FractionCSP3#97jiaodu1307 wants to merge 2 commits into
jiaodu1307 wants to merge 2 commits into
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Gonzih
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Mar 26, 2026
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LGTM — correct fix.
Descriptors.FractionCsp3 is a deprecated/aliased accessor; the canonical function is Lipinski.FractionCSP3, which is what the RDKit documentation specifies. The one-line change is accurate and minimal. The Lipinski module is already imported in the file, so no additional import is needed.
Gonzih
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Correct fix. FractionCSP3 lives in the Lipinski module, not Descriptors — the old call would raise AttributeError at runtime. Lipinski is already imported so this is a clean one-line patch. LGTM.
Note: this file is also touched by PR #105. Whichever merges second will need a rebase to avoid a conflict.
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fix(rdkit): replace FractionCsp3 with Lipinski.FractionCSP3