Crate use_compound

Expand description

§use-compound

Small chemical compound identity primitives for RustUse chemistry crates.

use-compound represents named chemical substances composed from formulas and lightweight descriptors. It is intentionally structural: no compound database, no naming engine, no reactions, no molecular geometry, no bonding model, and no runtime data fetching.

§What this crate provides

Item	Purpose
`Compound`	Named compound with formula and descriptors
`CompoundName`	Validated primary compound name
`CommonName`	Optional validated common name
`SystematicName`	Optional validated systematic name
`CompoundFormula`	Compound-facing formula wrapper
`EmpiricalFormula`	Empirical formula wrapper
`MolecularFormula`	Molecular formula wrapper
`CompoundKind`	Lightweight classification label
`CompoundIdentifier`	Optional registry identifier
`CompoundRegistry`	Registry namespace for identifiers
`CompoundValidationError`	Structured construction and validation errors

§Installation

[dependencies]
use-compound = "0.1.0"

§Quick Examples

§Create a simple compound

use use_chemical_formula::ChemicalFormula;
use use_compound::{Compound, CompoundKind};

let water = Compound::new("water", ChemicalFormula::parse("H2O")?)?
    .with_kind(CompoundKind::Molecular);

assert_eq!(water.name().as_str(), "water");
assert_eq!(water.formula().to_string(), "H2O");
assert_eq!(water.kinds(), &[CompoundKind::Molecular]);

§Add names and identifiers

use use_chemical_formula::ChemicalFormula;
use use_compound::{Compound, CompoundIdentifier, CompoundKind};

let glucose = Compound::new("glucose", ChemicalFormula::parse("C6H12O6")?)?
    .try_with_common_name("dextrose")?
    .try_with_systematic_name("D-glucose")?
    .with_kind(CompoundKind::Organic)
    .try_with_identifier(CompoundIdentifier::pub_chem_cid("5793")?)?;

assert_eq!(glucose.common_name().map(|name| name.as_str()), Some("dextrose"));
assert_eq!(glucose.identifiers().len(), 1);

§Scope

Represents compound identity, names, formulas, kind labels, and identifiers.
Uses use-chemical-formula for formula primitives.
Validates that names and identifier values are not empty.
Keeps registry identifiers as lightweight wrappers only.
No hardcoded compound database.
No CAS checksum validation, PubChem lookup, InChI parsing, or SMILES parsing.
No molecular geometry, bonding models, reactions, stoichiometry, molar mass, pH, solutions, thermochemistry, or simulation.
No naming engine.

§Relationship to `use-chemistry`

use-compound is a focused child crate for compound identity primitives. The use-chemistry umbrella crate reexports it alongside formula, element, isotope, periodic-table, atomic-number, atomic-mass, and electron-shell helpers. Chemical compound identity primitives.

Structs§

CommonName: A validated common compound name.
Compound: A named chemical compound with formula and lightweight descriptors.
CompoundFormula: A compound-facing chemical formula wrapper.
CompoundIdentifier: A lightweight compound registry identifier.
CompoundName: A validated primary compound name.
EmpiricalFormula: An empirical formula wrapper.
MolecularFormula: A molecular formula wrapper.
SystematicName: A validated systematic compound name.

Enums§

CompoundKind: A lightweight compound classification label.
CompoundRegistry: A compound identifier registry namespace.
CompoundValidationError: Errors returned when constructing compound values.