token.rs

//! 分子の文字列をトークンの並びにする
//!
//! 切り出すのは結合の印、環の印、角括弧の中身、枝の括弧、原子のラベルである。
//! 下付きと上付きの印は、続く 1 つを必ず連れていく。`H^-` の `-` を結合と読み違えないためである。

use crate::error::Error;
use crate::node::Kind;


/// 1 つのトークン
#[derive(Debug, Clone, PartialEq)]
pub enum Token {
    /// 結合の印
    Bond(Kind),
    /// 環の印。circle は ** で書いた芳香環の丸
    Ring {size: usize, circle: bool},
    /// 角括弧の中身。括弧そのものは含まない
    Setting(String),
    /// 枝と環の始まり
    Open,
    /// 枝と環の終わり
    Close,
    /// 環を閉じる印 ?
    Hook,
    /// 原子のラベル
    Atom(String),
}


/// トークンと、元の文字列でのその位置
#[derive(Debug, Clone, PartialEq)]
pub struct Located {
    pub token: Token,
    pub position: usize,
}


/// 原子のラベルをそこで切る文字
fn breaks(character: char) -> bool {
    matches!(
        character,
        '-' | '=' | '~' | '<' | '>' | '*' | '(' | ')' | '[' | ']' | '?' | '!' | '\\'
    )
}


/// 読めない記法に使われている文字
fn reserved(character: char) -> Option<&'static str> {
    match character {
        '!' => Some("部分構造の呼び出し ! はまだ読めません"),
        '\\' => Some("読めるコマンドは \\chemfig と \\chemname だけで、どちらも外側に書きます"),
        _ => None,
    }
}


/// 文字列をトークンの並びにする
pub fn tokenize(source: &str) -> Result<Vec<Located>, Error> {
    let character: Vec<char> = source.chars().collect();
    let mut found = Vec::new();
    let mut index = 0;

    while index < character.len() {
        let start = index;

        match character[index] {
            ' ' | '\t' | '\n' | '\r' => {
                index += 1;
            }
            '-' | '=' | '~' | '<' | '>' => {
                let (kind, next) = read_bond(&character, index);
                found.push(Located {token: Token::Bond(kind), position: start});
                index = next;
            }
            '*' => {
                let (token, next) = read_ring(&character, index)?;
                found.push(Located {token, position: start});
                index = next;
            }
            '(' => {
                found.push(Located {token: Token::Open, position: start});
                index += 1;
            }
            ')' => {
                found.push(Located {token: Token::Close, position: start});
                index += 1;
            }
            '?' => {
                found.push(Located {token: Token::Hook, position: start});
                index += 1;
            }
            '[' => {
                let (inside, next) = read_setting(&character, index)?;
                found.push(Located {token: Token::Setting(inside), position: start});
                index = next;
            }
            ']' => return Err(Error::new("対応する [ のない ] です", start)),
            '}' => return Err(Error::new("対応する { のない } です", start)),
            other => {
                if let Some(reason) = reserved(other) {
                    return Err(Error::new(reason, start));
                }

                let (label, next) = read_atom(&character, index)?;
                found.push(Located {token: Token::Atom(label), position: start});
                index = next;
            }
        }
    }

    Ok(found)
}


/// 結合の印を読む。くさびには : と | が続くことがある
fn read_bond(character: &[char], at: usize) -> (Kind, usize) {
    let next = character.get(at + 1).copied();

    match (character[at], next) {
        ('-', _) => (Kind::Single, at + 1),
        ('=', _) => (Kind::Double, at + 1),
        ('~', _) => (Kind::Triple, at + 1),
        ('>', Some(':')) => (Kind::Hash, at + 2),
        ('>', Some('|')) => (Kind::Hollow, at + 2),
        ('>', _) => (Kind::Wedge, at + 1),
        ('<', Some(':')) => (Kind::HashBack, at + 2),
        ('<', Some('|')) => (Kind::HollowBack, at + 2),
        _ => (Kind::WedgeBack, at + 1),
    }
}


/// 環の印を読む。* が素の環、** が内側に丸を描く環。続けて大きさを書く
fn read_ring(character: &[char], at: usize) -> Result<(Token, usize), Error> {
    let circle = character.get(at + 1) == Some(&'*');
    let mut index = if circle {at + 2} else {at + 1};
    let start = index;
    let mut digit = String::new();

    while let Some(found) = character.get(index) {
        if !found.is_ascii_digit() {
            break;
        }

        digit.push(*found);
        index += 1;
    }

    if digit.is_empty() {
        return Err(Error::new("環の大きさを書いてください。6 員環なら *6(...) です", start));
    }

    match digit.parse::<usize>() {
        Ok(size) if size >= 3 => Ok((Token::Ring {size, circle}, index)),
        Ok(_) => Err(Error::new("環の大きさは 3 以上です", start)),
        Err(_) => Err(Error::new("環の大きさが大きすぎます", start)),
    }
}


/// 角括弧の中身を読む。開き括弧の位置から呼び、閉じ括弧の次を返す
fn read_setting(character: &[char], at: usize) -> Result<(String, usize), Error> {
    let mut index = at + 1;
    let mut inside = String::new();

    while index < character.len() {
        if character[index] == ']' {
            return Ok((inside, index + 1));
        }

        inside.push(character[index]);
        index += 1;
    }

    Err(Error::new("[ が閉じていません", at))
}


/// 原子のラベルを読む。結合の印か括弧に当たるまで、または文字列の終わりまで
fn read_atom(character: &[char], at: usize) -> Result<(String, usize), Error> {
    let mut index = at;
    let mut label = String::new();

    while index < character.len() {
        match character[index] {
            ' ' | '\t' | '\n' | '\r' => {
                index += 1;
            }
            '}' => return Err(Error::new("対応する { のない } です", index)),
            '{' => {
                let (inside, next) = read_group(character, index)?;
                label.push('{');
                label.push_str(&inside);
                label.push('}');
                index = next;
            }
            '_' | '^' => {
                label.push(character[index]);
                index += 1;

                let (inside, next) = read_unit(character, index)?;
                label.push_str(&inside);
                index = next;
            }
            other => {
                if breaks(other) {
                    break;
                }

                label.push(other);
                index += 1;
            }
        }
    }

    Ok((label, index))
}


/// 波括弧の中身を読む。入れ子も数える。開き括弧の位置から呼び、閉じ括弧の次を返す
fn read_group(character: &[char], at: usize) -> Result<(String, usize), Error> {
    let mut index = at + 1;
    let mut depth = 1;
    let mut inside = String::new();

    while index < character.len() {
        match character[index] {
            '{' => {
                depth += 1;
                inside.push('{');
            }
            '}' => {
                depth -= 1;

                if depth == 0 {
                    return Ok((inside, index + 1));
                }

                inside.push('}');
            }
            other => inside.push(other),
        }

        index += 1;
    }

    Err(Error::new("{ が閉じていません", at))
}


/// 下付きと上付きが連れていく 1 つ。波括弧のまとまりか、そうでなければ 1 文字
fn read_unit(character: &[char], at: usize) -> Result<(String, usize), Error> {
    match character.get(at) {
        None => Err(Error::new("_ か ^ の後ろに何もありません", at)),
        Some('{') => {
            let (inside, next) = read_group(character, at)?;

            Ok((format!("{{{inside}}}"), next))
        }
        Some(other) => Ok((other.to_string(), at + 1)),
    }
}


#[cfg(test)]
mod tests {
    use super::*;

    fn kinds(source: &str) -> Vec<Token> {
        tokenize(source).unwrap().into_iter().map(|found| found.token).collect()
    }

    #[test]
    fn splits_a_chain() {
        assert_eq!(
            kinds("H-O-H"),
            vec![
                Token::Atom("H".into()),
                Token::Bond(Kind::Single),
                Token::Atom("O".into()),
                Token::Bond(Kind::Single),
                Token::Atom("H".into()),
            ]
        );
    }

    #[test]
    fn keeps_the_bracket_contents() {
        assert_eq!(
            kinds("A-[:30,1.5]B"),
            vec![
                Token::Atom("A".into()),
                Token::Bond(Kind::Single),
                Token::Setting(":30,1.5".into()),
                Token::Atom("B".into()),
            ]
        );
    }

    #[test]
    fn a_script_takes_the_next_one_with_it() {
        // ^ の後ろの - は結合ではない
        assert_eq!(kinds("H^-"), vec![Token::Atom("H^-".into())]);
        assert_eq!(kinds("SO_4^{2-}"), vec![Token::Atom("SO_4^{2-}".into())]);
    }

    #[test]
    fn subscripts_stay_in_the_atom() {
        assert_eq!(
            kinds("H_2O-H"),
            vec![
                Token::Atom("H_2O".into()),
                Token::Bond(Kind::Single),
                Token::Atom("H".into()),
            ]
        );
    }

    #[test]
    fn branches_come_out_as_their_own_tokens() {
        assert_eq!(
            kinds("C(-H)"),
            vec![
                Token::Atom("C".into()),
                Token::Open,
                Token::Bond(Kind::Single),
                Token::Atom("H".into()),
                Token::Close,
            ]
        );
    }

    #[test]
    fn spaces_fall_away() {
        assert_eq!(kinds("H - O"), kinds("H-O"));
    }

    #[test]
    fn double_and_triple_bonds() {
        assert_eq!(kinds("O=C=O")[1], Token::Bond(Kind::Double));
        assert_eq!(kinds("N~N")[1], Token::Bond(Kind::Triple));
    }

    #[test]
    fn the_six_cram_bonds() {
        assert_eq!(kinds("A>B")[1], Token::Bond(Kind::Wedge));
        assert_eq!(kinds("A<B")[1], Token::Bond(Kind::WedgeBack));
        assert_eq!(kinds("A>:B")[1], Token::Bond(Kind::Hash));
        assert_eq!(kinds("A<:B")[1], Token::Bond(Kind::HashBack));
        assert_eq!(kinds("A>|B")[1], Token::Bond(Kind::Hollow));
        assert_eq!(kinds("A<|B")[1], Token::Bond(Kind::HollowBack));
    }

    #[test]
    fn a_ring_says_its_size() {
        assert_eq!(kinds("*6(------)")[0], Token::Ring {size: 6, circle: false});
        assert_eq!(kinds("**6(------)")[0], Token::Ring {size: 6, circle: true});
        assert_eq!(kinds("*12(-)")[0], Token::Ring {size: 12, circle: false});
    }

    #[test]
    fn a_ring_opens_with_a_bracket() {
        let found = kinds("*3(---)");
        assert_eq!(found[0], Token::Ring {size: 3, circle: false});
        assert_eq!(found[1], Token::Open);
        assert_eq!(found[5], Token::Close);
    }

    #[test]
    fn unclosed_brackets_are_reported() {
        assert!(tokenize("A-[:30B").is_err());
        assert!(tokenize("A_{2").is_err());
        assert!(tokenize("A]").is_err());
        assert!(tokenize("A}").is_err());
    }

    #[test]
    fn a_ring_without_a_size_is_reported() {
        assert!(tokenize("*(---)").is_err());
        assert!(tokenize("*2(--)").is_err());
    }

    #[test]
    fn a_hook_is_its_own_token() {
        assert_eq!(kinds("A?-B?"), vec![
            Token::Atom("A".into()),
            Token::Hook,
            Token::Bond(Kind::Single),
            Token::Atom("B".into()),
            Token::Hook,
        ]);
        assert_eq!(kinds("A?[b,=]")[1], Token::Hook);
        assert_eq!(kinds("A?[b,=]")[2], Token::Setting("b,=".into()));
    }

    #[test]
    fn the_notations_still_to_come_say_so() {
        assert!(tokenize("!{x}").is_err());
    }
}