KiThe 0.3.0

A numerical suite for chemical kinetics and thermodynamics, combustion, heat and mass transfer,chemical engeneering. Work in progress. Advices and contributions will be appreciated
Documentation
/// 0.1.1
/// ru
///  в проекте используются шорткаты для названий реакций в стиле
/// "сокращенное название библиотеки реакции"+"номер реакции в библиотеке",
///  например C_10 означает реакция '10' в библиотеке CANTERA.
/// То же означает C10 и Сantera_10
/// eng
/// The project uses shortcuts for reaction names in the style
/// of "short name of the reaction library" + "reaction number in the library"
/// for example C_10 means reaction '10' in the CANTERA library.
/// The same means C10 and Сantera_10
use regex::Regex;
use std::collections::HashMap;

pub fn decipher_shortcut_name(short: &str) -> (String, String) {
    let re = Regex::new(r"(\d+(\.\d*)?)\*?").unwrap();
    let captures = re.captures(short);
    println!("captures {:?}", captures);
    let shortcut = short.to_string().to_owned();

    let (library_encrypted_name, reaction_number) = {
        match captures {
            Some(cap) => {
                let reaction_number = cap.get(0).unwrap().as_str().to_string();
                let library_encrypted_name = shortcut
                    .trim()
                    .to_owned()
                    .replace(&reaction_number, "")
                    .replace("_", "")
                    .to_lowercase();
                (library_encrypted_name, reaction_number)
            }
            None => ("Unknown".to_string(), "Unknown".to_string()),
        }
    };
    println!("library_encrypted_name {:?}", &library_encrypted_name);
    let library_name = match library_encrypted_name.as_str() {
        "c" | "cantera" | "ca" => "Cantera".to_string(),
        "n" | "nuig" => "NUIG".to_string(),
        "unknown" => "Unknown".to_string(),
        "a" | "aramco" => "ARAMCO".to_string(),
        "B" | "beckstead" => "Beckstead".to_string(),
        "B_c" | "beckstead_c" => "Beckstead_c".to_string(),
        _ => library_encrypted_name.clone(),
    };
    println!("library_name {:?}", &library_name);
    println!("reaction_number {:?}", &reaction_number);

    (library_name.to_owned(), reaction_number)
}
pub fn decipher_vector_of_shortcuts(vec_of_shortcuts: Vec<&str>) -> HashMap<String, Vec<String>> {
    let mut map: HashMap<String, Vec<String>> = HashMap::new();
    for shortcut in vec_of_shortcuts {
        let (library_name, reaction_number) = decipher_shortcut_name(shortcut);
        if map.contains_key(&library_name) {
            map.get_mut(&library_name)
                .unwrap()
                .push(reaction_number.to_string());
        } else {
            map.insert(library_name.to_string(), vec![reaction_number.to_string()]);
        }
    }
    map
}
pub fn decipher_vector_of_shortcuts_to_pairs(vec_of_shortcuts: Vec<&str>) -> Vec<(String, String)> {
    let mut vec_of_pairs = Vec::new();
    for shortcut in vec_of_shortcuts {
        let (library_name, reaction_number) = decipher_shortcut_name(shortcut);
        vec_of_pairs.push((library_name, reaction_number));
    }
    vec_of_pairs
}
pub fn cipher_vector_of_shortcuts(map: HashMap<String, String>) -> Vec<String> {
    let mut vec = Vec::new();
    for (library_name, reaction_number) in map {
        vec.push(format!("{}_{}", library_name, reaction_number));
    }
    vec
}
#[cfg(test)]
mod tests {
    use super::*;
    use std::collections::{HashMap, HashSet};
    #[test]
    fn test_decipher_shortcut_name() {
        assert_eq!(
            decipher_shortcut_name("C_10"),
            ("Cantera".to_string(), "10".to_string())
        );
        assert_eq!(
            decipher_shortcut_name("C10"),
            ("Cantera".to_string(), "10".to_string())
        );
        assert_eq!(
            decipher_shortcut_name("Cantera_10"),
            ("Cantera".to_string(), "10".to_string())
        );

        assert_eq!(
            decipher_shortcut_name("A10"),
            ("ARAMCO".to_string(), "10".to_string())
        );

        assert_eq!(
            decipher_shortcut_name("N_10"),
            ("NUIG".to_string(), "10".to_string())
        );

        assert_eq!(
            decipher_shortcut_name("invalid"),
            ("Unknown".to_string(), "Unknown".to_string())
        );
    }

    #[test]
    fn test_decipher_vector_of_shortcuts() {
        let vec_of_shortcuts = vec!["C_10", "A10", "n_10"];
        let expected_map = HashMap::from([
            ("Cantera".to_string(), vec!["10".to_string()]),
            ("ARAMCO".to_string(), vec!["10".to_string()]),
            ("NUIG".to_string(), vec!["10".to_string()]),
        ]);

        assert_eq!(decipher_vector_of_shortcuts(vec_of_shortcuts), expected_map);
    }
    #[test]
    fn test_cipher_vector_of_shortcuts() {
        let map = vec![
            ("Cantera".to_string(), "10".to_string()),
            ("ARAMCO".to_string(), "10".to_string()),
            ("NUIG".to_string(), "10".to_string()),
        ]
        .into_iter()
        .collect::<HashMap<String, String>>();

        let expected_vec = vec![
            "Cantera_10".to_string(),
            "ARAMCO_10".to_string(),
            "NUIG_10".to_string(),
        ];
        let res: HashSet<String> = cipher_vector_of_shortcuts(map).into_iter().collect();
        let exp: HashSet<String> = expected_vec.into_iter().collect();
        assert_eq!(res, exp);
    }
}