[package]
edition = "2021"
name = "molex"
version = "0.2.1"
authors = ["Andreas Petrides"]
build = false
autolib = false
autobins = false
autoexamples = false
autotests = false
autobenches = false
description = "Parse, analyze, and transform molecular structure data (PDB, mmCIF, BinaryCIF, MRC)"
readme = "README.md"
keywords = [
"protein",
"molecular",
"pdb",
"mmcif",
"structure",
]
categories = [
"science",
"parser-implementations",
"data-structures",
]
license = "MIT"
repository = "https://github.com/petridecus/molconv"
[package.metadata.cargo-machete]
ignored = ["numpy"]
[features]
default = []
python = [
"dep:pyo3",
"dep:numpy",
]
[lib]
name = "molex"
crate-type = ["rlib"]
path = "src/lib.rs"
[[bench]]
name = "analysis"
path = "benches/analysis.rs"
harness = false
[[bench]]
name = "codec"
path = "benches/codec.rs"
harness = false
[[bench]]
name = "parsing"
path = "benches/parsing.rs"
harness = false
[dependencies.flate2]
version = "1"
[dependencies.glam]
version = "0.30"
[dependencies.ndarray]
version = "0.15"
[dependencies.numpy]
version = "0.27"
optional = true
[dependencies.pdbtbx]
version = "0.12"
[dependencies.pyo3]
version = "0.27"
features = ["extension-module"]
optional = true
[dependencies.rmp]
version = "0.8"
[dependencies.thiserror]
version = "1.0"
[dev-dependencies.criterion]
version = "0.5"
features = ["html_reports"]
[lints.clippy]
dbg_macro = "deny"
default_trait_access = "allow"
doc_markdown = "allow"
expect_used = "deny"
items_after_statements = "allow"
missing_const_for_fn = "allow"
multiple_crate_versions = "allow"
panic = "deny"
print_stderr = "deny"
print_stdout = "deny"
redundant_pub_crate = "allow"
similar_names = "allow"
str_to_string = "deny"
todo = "deny"
unimplemented = "deny"
unwrap_used = "deny"
use_self = "allow"
[lints.clippy.all]
level = "deny"
priority = -1
[lints.clippy.cargo]
level = "deny"
priority = -1
[lints.clippy.nursery]
level = "deny"
priority = -1
[lints.clippy.pedantic]
level = "deny"
priority = -1
[lints.rust]
missing_docs = "deny"
trivial_casts = "deny"
trivial_numeric_casts = "deny"
unused_qualifications = "deny"
unused_results = "deny"
[lints.rustdoc]
bare_urls = "deny"
broken_intra_doc_links = "deny"
private_intra_doc_links = "deny"