[package]
edition = "2021"
rust-version = "1.70"
name = "opensmiles"
version = "0.1.3"
authors = ["Richard Huot"]
build = false
autolib = false
autobins = false
autoexamples = false
autotests = false
autobenches = false
description = "A SMILES parser following the OpenSMILES specification"
documentation = "https://docs.rs/opensmiles"
readme = "README.md"
keywords = [
"chemistry",
"smiles",
"parser",
"molecules",
"cheminformatics",
]
categories = [
"parser-implementations",
"science",
]
license = "MIT"
repository = "https://github.com/Peariforme/bigsmiles-rs"
[features]
default = []
huckel-validation = []
parallel = ["rayon"]
[lib]
name = "opensmiles"
path = "src/lib.rs"
[[test]]
name = "aromatic"
path = "tests/aromatic.rs"
[[test]]
name = "basic_parsing"
path = "tests/basic_parsing.rs"
[[test]]
name = "bonds"
path = "tests/bonds.rs"
[[test]]
name = "bracket_atoms"
path = "tests/bracket_atoms.rs"
[[test]]
name = "branches"
path = "tests/branches.rs"
[[test]]
name = "cycles"
path = "tests/cycles.rs"
[[test]]
name = "display"
path = "tests/display.rs"
[[test]]
name = "misc"
path = "tests/misc.rs"
[[test]]
name = "opensmiles_compliance"
path = "tests/opensmiles_compliance.rs"
[[test]]
name = "stereochemistry"
path = "tests/stereochemistry.rs"
[[test]]
name = "stoichiometry"
path = "tests/stoichiometry.rs"
[[bench]]
name = "parser_benchmarks"
path = "benches/parser_benchmarks.rs"
harness = false
[dependencies.rayon]
version = "1.10"
optional = true
[dependencies.thiserror]
version = "1"
[dev-dependencies.criterion]
version = "0.5"
features = ["html_reports"]
[dev-dependencies.pretty_assertions]
version = "1"