chematic-perception 0.6.0

SSSR ring perception and Hückel aromaticity for chematic — pure-Rust RDKit alternative
Documentation 
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# THIS FILE IS AUTOMATICALLY GENERATED BY CARGO
#
# When uploading crates to the registry Cargo will automatically
# "normalize" Cargo.toml files for maximal compatibility
# with all versions of Cargo and also rewrite `path` dependencies
# to registry (e.g., crates.io) dependencies.
#
# If you are reading this file be aware that the original Cargo.toml
# will likely look very different (and much more reasonable).
# See Cargo.toml.orig for the original contents.

[package]
edition = "2024"
name = "chematic-perception"
version = "0.6.0"
authors = ["kent-tokyo <kent-tokyo@users.noreply.github.com>"]
build = false
autolib = false
autobins = false
autoexamples = false
autotests = false
autobenches = false
description = "SSSR ring perception and Hückel aromaticity for chematic — pure-Rust RDKit alternative"
homepage = "https://kent-tokyo.github.io/chematic/"
documentation = "https://docs.rs/chematic-perception"
readme = "README.md"
keywords = [
    "aromaticity",
    "rings",
    "sssr",
    "cheminformatics",
    "chemistry",
]
categories = [
    "science",
    "science::computational-chemistry::cheminformatics",
]
license = "MIT OR Apache-2.0"
repository = "https://github.com/kent-tokyo/chematic"
resolver = "2"

[package.metadata.docs.rs]
rustdoc-args = [
    "--cfg",
    "docsrs",
]

[features]
diagnostics = []

[lib]
name = "chematic_perception"
path = "src/lib.rs"

[[example]]
name = "aromaticity_a1_0_report"
path = "examples/aromaticity_a1_0_report.rs"

[[example]]
name = "aromaticity_a1_1b_0_report"
path = "examples/aromaticity_a1_1b_0_report.rs"
required-features = ["diagnostics"]

[[example]]
name = "aromaticity_a1_1b_1_full_corpus_report"
path = "examples/aromaticity_a1_1b_1_full_corpus_report.rs"

[[example]]
name = "aromaticity_a1_1b_1_perf"
path = "examples/aromaticity_a1_1b_1_perf.rs"

[[example]]
name = "aromaticity_a1_1b_1_report"
path = "examples/aromaticity_a1_1b_1_report.rs"

[[example]]
name = "aromaticity_authoritative_experimental_corpus_dump"
path = "examples/aromaticity_authoritative_experimental_corpus_dump.rs"

[[example]]
name = "aromaticity_flag_corpus_dump"
path = "examples/aromaticity_flag_corpus_dump.rs"

[[example]]
name = "aromaticity_flag_demotion_k2b_cluster_dump"
path = "examples/aromaticity_flag_demotion_k2b_cluster_dump.rs"

[[example]]
name = "aromaticity_rdkit_parity_dump"
path = "examples/aromaticity_rdkit_parity_dump.rs"

[[example]]
name = "cip_kekulize_probe"
path = "examples/cip_kekulize_probe.rs"

[[example]]
name = "rdkit_parity_full_corpus"
path = "examples/rdkit_parity_full_corpus.rs"
required-features = ["diagnostics"]

[[bench]]
name = "sssr_bench"
path = "benches/sssr_bench.rs"
harness = false

[dependencies.chematic-core]
version = "0.6.0"

[dependencies.rustc-hash]
version = "2"

[dev-dependencies.criterion]
version = "0.8"
features = ["html_reports"]

[dev-dependencies.serde_json]
version = "1.0"