castep-periodic-table 0.2.2

#![allow(dead_code)]

pub mod data;
pub mod element;

#[cfg(test)]
mod test {
    use crate::{
        data::ELEMENT_TABLE,
        element::{Element, ElementYamlTable, LookupElement},
    };

    use std::{fs::File, io::Write, path::PathBuf, str::FromStr};

    #[test]
    fn write_data_rs() {
        let cwd = env!("CARGO_MANIFEST_DIR");
        let file =
            File::open(PathBuf::from_str(&format!("{cwd}/element_table.yaml")).unwrap()).unwrap();
        let element_table: ElementYamlTable = serde_yaml::from_reader(file).unwrap();
        let export_content = element_table.export_struct();
        let mut output = File::create("./data.rs").unwrap();
        output.write_all(b"use crate::element::Element;\n").unwrap();
        output.write_all(export_content.as_bytes()).unwrap();
    }
    #[test]
    fn test_table() {
        let mut element_iter = ELEMENT_TABLE.iter();
        let element_co: &Element = element_iter.find(|elm| elm.symbol == "Co").unwrap();
        println!("Co: {:?}", element_co);
        let element_h = ELEMENT_TABLE
            .iter()
            .find(|elm| elm.atomic_number == 0 as u8)
            .unwrap();
        println!("H: {:?}", element_h);
        let element_pm = ELEMENT_TABLE.get_by_symbol("Pm").unwrap();
        println!("Mass: {:?}", element_pm.mass());
        println!("Mass: {:?}", element_co.mass());
        println!("Covalent_radius : {:?}", element_co.covalent_radius());
    }
}