rdkit 0.4.12

High level RDKit functionality for rust
Documentation
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use rdkit::PeriodicTable;

#[test]
fn test_valence_list() {
    let valence_list = PeriodicTable::get_valence_list(6);
    assert_eq!(&valence_list.iter().cloned().collect::<Vec<_>>(), &[4]);
}

#[test]
fn test_most_common_isotope_mass() {
    let mass = PeriodicTable::get_most_common_isotope_mass("C");
    assert_eq!(mass, 12.00);
}