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QueryAtomContainer.create() should have option ignore query atoms/bonds #953

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johnmay opened this issue Jan 23, 2023 · 0 comments
Open

QueryAtomContainer.create() should have option ignore query atoms/bonds #953

johnmay opened this issue Jan 23, 2023 · 0 comments
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feature request Feature Request

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johnmay commented Jan 23, 2023

Currently providing a query molecule to this function leaves the expressions intact, it should perhaps strip back the expressions or we provide an option to decided what to do.

Example

[C,N]CCO => create(mol, Expr.DEGREE) => [D1][D2][D2][D1] expected but we get [C,N][D2][D2][D1]
@johnmay johnmay added the feature request Feature Request label Jan 23, 2023
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