omgkit-conf 0.0.7

Deterministic 3D conformer generation for omgkit: distance geometry without the dice
Documentation
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# See Cargo.toml.orig for the original contents.

[package]
edition = "2021"
rust-version = "1.75"
name = "omgkit-conf"
version = "0.0.7"
authors = ["zbc0315 <62389427+zbc0315@users.noreply.github.com>"]
build = false
autolib = false
autobins = false
autoexamples = false
autotests = false
autobenches = false
description = "Deterministic 3D conformer generation for omgkit: distance geometry without the dice"
homepage = "https://zbc0315.github.io/omgkit/"
readme = "README.md"
keywords = [
    "chemistry",
    "cheminformatics",
    "smiles",
    "smarts",
    "molecule",
]
categories = [
    "science",
    "data-structures",
    "parser-implementations",
]
license = "BSD-3-Clause"
repository = "https://github.com/zbc0315/omgkit"

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

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

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

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

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

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

[[example]]
name = "dump_molblock3d"
path = "examples/dump_molblock3d.rs"

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

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

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

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

[[test]]
name = "baseline_sizes"
path = "tests/baseline_sizes.rs"

[[test]]
name = "chirality_truth"
path = "tests/chirality_truth.rs"

[[test]]
name = "small_molecule_geometry"
path = "tests/small_molecule_geometry.rs"

[dependencies.omgkit-chem]
version = "0.0.7"

[dependencies.omgkit-core]
version = "0.0.7"

[dependencies.omgkit-io]
version = "0.0.7"

[dev-dependencies.serde_json]
version = "1"

[lints.clippy]
missing_panics_doc = "allow"
module_name_repetitions = "allow"

[lints.clippy.all]
level = "warn"
priority = -1

[lints.rust]
missing_docs = "warn"
unsafe_code = "deny"

[lints.rustdoc]
broken_intra_doc_links = "deny"
private_intra_doc_links = "deny"
redundant_explicit_links = "deny"