Molecule

rdkit_rs::molecule

Struct Molecule 

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pub struct Molecule {
    pub rd_mol: SharedPtr<RWMol>,
}

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§rd_mol: SharedPtr<RWMol>

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impl Molecule

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pub fn new_from_smiles(smiles: &str) -> Self

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pub fn num_atoms(&self) -> u32

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pub fn num_heavy_atoms(&self) -> u32

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pub fn num_bonds(&self) -> u32

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