[package]
edition = "2021"
name = "chematic"
version = "0.1.19"
authors = ["kent-tokyo <kent-tokyo@users.noreply.github.com>"]
build = false
autolib = false
autobins = false
autoexamples = false
autotests = false
autobenches = false
description = "Pure-Rust cheminformatics library — RDKit alternative with zero C/C++ FFI (umbrella crate)"
homepage = "https://github.com/kent-tokyo/chematic"
documentation = "https://docs.rs/chematic"
readme = "README.md"
keywords = [
"cheminformatics",
"rdkit",
"chemistry",
"smiles",
"wasm",
]
categories = ["science"]
license = "MIT OR Apache-2.0"
repository = "https://github.com/kent-tokyo/chematic"
[features]
chem = [
"perception",
"dep:chematic-chem",
]
default = []
depict = [
"perception",
"dep:chematic-depict",
]
fp = [
"perception",
"dep:chematic-smarts",
"dep:chematic-fp",
]
full = [
"smiles",
"perception",
"mol",
"depict",
"fp",
"chem",
"smarts",
"rxn",
"threed",
]
mol = [
"dep:chematic-core",
"dep:chematic-mol",
]
perception = [
"smiles",
"dep:chematic-perception",
]
rxn = [
"smiles",
"dep:chematic-rxn",
]
smarts = [
"perception",
"dep:chematic-smarts",
]
smiles = [
"dep:chematic-core",
"dep:chematic-smiles",
]
threed = [
"perception",
"dep:chematic-3d",
]
[lib]
name = "chematic"
path = "src/lib.rs"
[dependencies.chematic-3d]
version = "0.1.9"
optional = true
[dependencies.chematic-chem]
version = "0.1.9"
optional = true
[dependencies.chematic-core]
version = "0.1.9"
optional = true
[dependencies.chematic-depict]
version = "0.1.9"
optional = true
[dependencies.chematic-fp]
version = "0.1.9"
optional = true
[dependencies.chematic-mol]
version = "0.1.9"
optional = true
[dependencies.chematic-perception]
version = "0.1.9"
optional = true
[dependencies.chematic-rxn]
version = "0.1.9"
optional = true
[dependencies.chematic-smarts]
version = "0.1.9"
optional = true
[dependencies.chematic-smiles]
version = "0.1.9"
optional = true