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MolecularDescriptors

qualia_core_db::specialized_libs::chemistry_modeling

Struct MolecularDescriptors 

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pub struct MolecularDescriptors {
    pub molecular_weight: f64,
    pub formula: String,
    pub atom_count: HashMap<String, usize>,
    pub bond_count: HashMap<String, usize>,
    pub ring_count: usize,
}
Expand description

Molecular descriptors

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§molecular_weight: f64§formula: String§atom_count: HashMap<String, usize>§bond_count: HashMap<String, usize>§ring_count: usize

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impl Clone for MolecularDescriptors

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fn clone(&self) -> MolecularDescriptors

Returns a duplicate of the value. Read more
1.0.0 (const: unstable) · Source§

fn clone_from(&mut self, source: &Self)

Performs copy-assignment from source. Read more
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impl Debug for MolecularDescriptors

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fn fmt(&self, f: &mut Formatter<'_>) -> Result

Formats the value using the given formatter. Read more

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unsafe fn clone_to_uninit(&self, dest: *mut u8)

🔬This is a nightly-only experimental API. (clone_to_uninit)
Performs copy-assignment from self to dest. Read more
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