Crate use_compound 

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.