chemical_elements 0.7.0

A library for representing chemical compositions and generating isotopic patterns
Documentation 
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/*!
A library for representing chemical compositions, managing
elemental formulae and generating (coarse) isotopic patterns.

## Chemical Compositions
```
# fn main() -> Result<(), Box<dyn std::error::Error>> {
use chemical_elements::{ChemicalComposition, ElementSpecification};

let mut composition = ChemicalComposition::parse("H2O")?;
composition["C"] = 6;
composition["O"] = 6;
composition["H"] = 12;
assert!((composition.mass() - 180.06339).abs() < 1e-6);
# Ok(())
# }
```
## Isotopic Distributions
```rust
# fn main() -> Result<(), Box<dyn std::error::Error>> {
use chemical_elements::{ChemicalComposition, PROTON};
use chemical_elements::isotopic_pattern::isotopic_variants;
let composition = ChemicalComposition::parse("C34H53O15N7")?;
// Use the guessed number of peaks
let peaks = isotopic_variants(composition, 0, 1, PROTON);
for peak in peaks.iter() {
    println!("{}", peak);
}
assert_eq!(peaks.len(), 6);
# Ok(())
# }
```
*/
mod abstract_composition;
mod composition_list;
mod composition_map;
mod element;
mod element_specification;
mod formula;
mod helper;
pub mod isotopic_pattern;
mod mz;
mod props;
mod table;

pub use crate::abstract_composition::{ChemicalComposition, ChemicalCompositionRef};
pub use crate::composition_list::ChemicalCompositionVec;
pub use crate::composition_map::ChemicalCompositionMap;
pub use crate::element::{Element, Isotope, PeriodicTable};
pub use crate::element_specification::{ElementSpecification, ElementSpecificationParsingError};
pub use crate::formula::{parse_formula, parse_formula_with_table, FormulaParserError};
pub use crate::mz::{mass_charge_ratio, neutral_mass, PROTON};
pub use crate::table::PERIODIC_TABLE;
pub use helper::ChemicalElements;
pub use props::ChemicalCompositionLike;