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};

# fn main() -> Result<(), Box<dyn std::error::Error>> {
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]);
# Ok(())
# }

Add names and identifiers

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

# fn main() -> Result<(), Box<dyn std::error::Error>> {
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);
# Ok(())
# }

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.

use-compound 0.1.0