Crate use_reaction 

use-reaction

Small chemical reaction representation primitives for RustUse chemistry crates.

use-reaction represents reaction equations, reaction-side terms, arrows, conditions, catalysts, solvents, and lightweight classification labels. It stays structural and avoids balancing, reaction solving, kinetics, thermodynamics, equilibrium calculations, mechanisms, electrochemistry, reaction databases, and external data fetching.

What this crate provides

Item	Purpose
ChemicalReaction	Reaction value with equation, conditions, and kinds
ReactionEquation	Reactants, products, and arrow
ReactionTerm	Formula-backed term with stoichiometric coefficient
Reactant	Reactant-side term wrapper
Product	Product-side term wrapper
ReactionArrow	Forward, reverse, reversible, and equilibrium arrow
ReactionDirection	Lightweight direction label
ReactionCondition	Temperature, pressure, catalyst, solvent, and labels
ReactionConditionSet	Ordered reaction condition collection
Catalyst	Validated catalyst descriptor
Solvent	Validated solvent descriptor
ReactionKind	Lightweight reaction classification label
ReactionValidationError	Structured construction and validation errors

Installation

[dependencies]
use-reaction = "0.1.0"

Quick Examples

Create a simple reaction

use use_reaction::{ChemicalReaction, ReactionArrow, ReactionTerm};

let reaction = ChemicalReaction::new()
    .with_reactant(ReactionTerm::new("H2".parse()?).with_coefficient(2)?)
    .with_reactant(ReactionTerm::new("O2".parse()?))
    .with_product(ReactionTerm::new("H2O".parse()?).with_coefficient(2)?)
    .with_arrow(ReactionArrow::Forward);

assert_eq!(reaction.to_string(), "2H2 + O2 -> 2H2O");
reaction.validate()?;

Attach reaction labels

use use_reaction::{ChemicalReaction, ReactionCondition, ReactionKind, ReactionTerm};

let reaction = ChemicalReaction::new()
    .with_reactant(ReactionTerm::new("CH4".parse()?))
    .with_reactant(ReactionTerm::new("O2".parse()?).with_coefficient(2)?)
    .with_product(ReactionTerm::new("CO2".parse()?))
    .with_product(ReactionTerm::new("H2O".parse()?).with_coefficient(2)?)
    .with_kind(ReactionKind::Combustion)
    .with_condition(ReactionCondition::Heat);

assert_eq!(reaction.to_string(), "CH4 + 2O2 -> CO2 + 2H2O");
assert_eq!(reaction.kinds(), &[ReactionKind::Combustion]);
assert_eq!(reaction.conditions().to_string(), "heat");

Scope

• Represents reaction equations, reactants, products, arrows, conditions, catalysts, solvents, energy labels, and classification labels.
• Uses use-chemical-formula for chemical formula primitives.
• Uses use-stoichiometry for nonzero coefficient validation and term display.
• Validates that complete reactions have at least one reactant and one product.
• Omits coefficient 1 in conventional display formatting.
• Keeps conditions as labels and descriptors only.
• No automatic equation balancing.
• No product inference.
• No reaction mechanisms.
• No kinetics, rate laws, or thermodynamics.
• No equilibrium calculations.
• No electrochemical potentials.
• No hardcoded reaction database.
• No runtime network access or external chemistry data.

Relationship to use-chemistry

use-reaction is a focused child crate for chemical reaction representation primitives. The use-chemistry umbrella crate reexports it alongside stoichiometry, formula, compound, molecule, ion, oxidation-state, bond, element, isotope, periodic-table, atomic-number, atomic-mass, and electron-shell helpers. Chemical reaction representation primitives.

Structs

Catalyst

A lightweight catalyst descriptor.

ChemicalReaction

A chemical reaction with an equation, optional conditions, and classification labels.

Product

A product-side reaction term.

Reactant

A reactant-side reaction term.

ReactionConditionSet

An ordered collection of reaction conditions.

ReactionEquation

A chemical reaction equation with reactants, products, and an arrow.

ReactionTerm

A formula-backed reaction term with a stoichiometric coefficient.

Solvent

A lightweight solvent descriptor.

Enums

ReactionArrow

A reaction arrow style.

ReactionCondition

A lightweight reaction condition label.

ReactionDirection

A lightweight reaction direction label.

ReactionKind

A lightweight reaction classification label.

ReactionValidationError

Errors returned when constructing or validating reaction values.