Function modification_atomic_composition

pub fn modification_atomic_composition() -> HashMap<String, HashMap<&'static str, i32>>

Unimod Modifications

Arguments

None

Returns

• HashMap<String, HashMap<&'static str, i32>> - a map of unimod modification names to their atomic compositions

Example

use rustms::chemistry::unimod::modification_atomic_composition;
use std::collections::HashMap;

let composition = modification_atomic_composition();
assert_eq!(composition.get("[UNIMOD:1]"), Some(&HashMap::from([("C", 2), ("H", 2), ("O", 1)])));