polysim-core 0.2.0

Polymer structure generator and physical property simulator built on BigSMILES
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 = "2021"
name = "polysim-core"
version = "0.2.0"
authors = ["Peariforme"]
build = false
autolib = false
autobins = false
autoexamples = false
autotests = false
autobenches = false
description = "Polymer structure generator and physical property simulator built on BigSMILES"
homepage = "https://github.com/Peariforme/polysim"
readme = "README.md"
keywords = [
    "polymer",
    "smiles",
    "bigsmiles",
    "chemistry",
    "simulation",
]
categories = [
    "science",
    "algorithms",
]
license = "MIT"
repository = "https://github.com/Peariforme/polysim"

[lib]
name = "polysim_core"
path = "src/lib.rs"
bench = false

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

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

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

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

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

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

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

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

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

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

[dependencies.bigsmiles]
version = "0.1"

[dependencies.opensmiles]
version = "0.1"

[dependencies.rand]
version = "0.9"

[dependencies.rand_distr]
version = "0.5"

[dependencies.thiserror]
version = "2"

[dev-dependencies.bigsmiles]
version = "0.1"

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