sdfrust 0.6.0

A fast, pure-Rust parser for SDF, MOL2, and XYZ chemical structure files
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"
rust-version = "1.85"
name = "sdfrust"
version = "0.6.0"
authors = ["Hosein Fooladi"]
build = false
exclude = [
    "tests/",
    "benches/",
    ".github/",
    "sdfrust-python/",
    "ROADMAP.md",
    "BENCHMARK_RESULTS.md",
    "CONTRIBUTORS.md",
    "CLAUDE.md",
]
autolib = false
autobins = false
autoexamples = false
autotests = false
autobenches = false
description = "A fast, pure-Rust parser for SDF, MOL2, and XYZ chemical structure files"
homepage = "https://github.com/hfooladi/sdfrust"
documentation = "https://docs.rs/sdfrust"
readme = "README.md"
keywords = [
    "chemistry",
    "sdf",
    "mol2",
    "xyz",
    "cheminformatics",
]
categories = [
    "science",
    "parser-implementations",
]
license = "MIT"
repository = "https://github.com/hfooladi/sdfrust"
resolver = "2"

[features]
default = []
geometry = ["nalgebra"]
gzip = ["flate2"]

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

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

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

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

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

[dependencies.flate2]
version = "1.0"
optional = true

[dependencies.nalgebra]
version = "0.32"
optional = true

[dependencies.thiserror]
version = "2.0"

[dev-dependencies.criterion]
version = "0.5"
features = ["html_reports"]

[dev-dependencies.rand]
version = "0.8"

[dev-dependencies.tempfile]
version = "3.14"