rdkit_rs::query

Struct MCSResult

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pub struct MCSResult {
    pub rd_mcsr: UniquePtr<MCSResult>,
}

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§rd_mcsr: UniquePtr<MCSResult>

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impl MCSResult

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pub fn find_mcs(mols: &Vec<Molecule>) -> Self

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pub fn num_atoms(&self) -> u32

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pub fn num_bonds(&self) -> u32

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pub fn smarts_string(&self) -> String

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