chiral-db 0.2.1

ChiralDB: a cheminformatics database written in Rust
Documentation 
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//! Shared Types Definition
//! 

use serde_derive::Deserialize;

pub type ID = String;
pub type SMILES = String;
pub type SMARTS = String;

#[derive(Debug, Deserialize, PartialEq)]
pub enum Source {
    Chembl,
    Zinc
}

pub enum Toolkit {
    OpenBabel
}

pub type DocumentOpenBabelMolecule = std::collections::HashMap<ID, openbabel::molecule::Molecule>;
pub type DBOpenBabelMolecule = std::collections::HashMap<String, DocumentOpenBabelMolecule>;

#[derive(Debug, Deserialize, PartialEq)]
pub enum FingerprintKind {
    OpenBabelECFP0,
    OpenBabelECFP2,
    OpenBabelECFP4,
    OpenBabelECFP6,
    OpenBabelECFP8,
    OpenBabelECFP10,
}

pub type SimilarityScore = f32;
pub type ResultSimilarity = std::collections::HashMap<ID, SimilarityScore>;

pub type SubstructureMatch = Vec<Vec<i32>>;
pub type ResultSubstructure = std::collections::HashMap<ID, SubstructureMatch>;