Crate use_bond 

use-bond

Small chemical bond primitives for RustUse chemistry crates.

use-bond represents bond identity, kind labels, orders, atom endpoint references, participants, polarity labels, strength labels, optional displayable lengths, optional angle/reference labels, and lightweight descriptors. It stays structural and intentionally avoids molecular simulation, quantum chemistry, force fields, reactions, molecule parsing, and external chemistry formats.

What this crate provides

Item	Purpose
Bond	Chemical bond identity and optional metadata
BondKind	Bond kind labels
BondOrder	Bond order labels
FractionalBondOrder	Rational fractional bond order
BondEndpoint	Validated atom endpoint reference
BondParticipant	Validated bond participant reference
BondLength	Positive displayable bond length
BondPolarity	Bond polarity labels
BondStrength	Bond strength labels
BondDescriptor	Lightweight descriptor or reference label
BondValidationError	Structured validation errors

Installation

[dependencies]
use-bond = "0.1.0"

Quick Examples

Create a simple covalent bond

use use_bond::{Bond, BondKind, BondOrder};

let bond = Bond::new(BondKind::Covalent).with_order(BondOrder::Single);

assert_eq!(bond.kind(), BondKind::Covalent);
assert_eq!(bond.order(), Some(BondOrder::Single));

Create a bond between endpoint references

use use_bond::{Bond, BondEndpoint, BondKind, BondOrder};

let bond = Bond::between(
    BondEndpoint::new("O")?,
    BondEndpoint::new("H")?,
    BondKind::Covalent,
)
.with_order(BondOrder::Single);

assert_eq!(bond.endpoints().len(), 2);
assert_eq!(bond.to_string(), "O-H covalent bond (single)");

Attach lightweight descriptors

use use_bond::{Bond, BondKind, BondLength, BondPolarity, BondStrength};

let bond = Bond::new(BondKind::Hydrogen)
    .with_polarity(BondPolarity::Polar)
    .with_strength(BondStrength::Weak)
    .with_length(BondLength::new(190.0, "pm")?)
    .try_with_angle_label("donor-H-acceptor")?;

assert_eq!(bond.kind(), BondKind::Hydrogen);
assert_eq!(bond.length().map(ToString::to_string), Some(String::from("190 pm")));

Scope

• Represents chemical bond identity, kind, order, endpoint references, participants, polarity, strength, optional displayable length, optional angle/reference labels, and descriptors.
• Keeps endpoints as structural labels. It does not validate periodic-table membership or parse molecule formats.
• Keeps bond length as a positive finite value with a caller-provided unit string. It does not convert units or perform dimensional analysis.
• Uses rational fractional bond orders instead of floating-point enum payloads.
• No molecular geometry.
• No force-field calculations.
• No orbital theory or quantum chemistry.
• No electronegativity calculations.
• No reactions or stoichiometry.
• No molecule parsing.
• No SMILES, InChI, MOL, SDF, PDB, or other external chemical file formats.
• No runtime network access or external chemistry database.

Relationship to use-chemistry

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

Structs

Bond

A chemical bond identity with optional structural descriptors.

BondDescriptor

A lightweight bond descriptor or reference label.

BondEndpoint

A validated atom endpoint reference for a bond.

BondLength

A positive displayable bond length.

BondParticipant

A validated bond participant reference.

FractionalBondOrder

A rational fractional bond order.

Enums

BondKind

A lightweight chemical bond kind label.

BondOrder

A lightweight bond order label.

BondPolarity

A lightweight bond polarity label.

BondStrength

A lightweight bond strength label.

BondValidationError

Errors returned when constructing bond values.