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};

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

Attach reaction labels

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

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

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.

use-reaction 0.1.0