SpectraRust/src/synspec/math/he2ini.rs

//! He II line profile data initialization.
//!
//! Translated from SYNSPEC54.FOR subroutine HE2INI (line 7535).
//!
//! Initializes necessary arrays for evaluating the He II line
//! absorption profiles using data calculated by Schoening and Butler.

#![allow(clippy::never_loop)]
use std::fs::File;
use std::io::{BufRead, BufReader};

/// Constants for He II profile arrays
pub const NLINE_HE2: usize = 19;
pub const NWL_HE2_MAX: usize = 36;
pub const NT_HE2: usize = 6;
pub const NE_HE2: usize = 11;

/// He II line profile table data
#[derive(Debug, Clone)]
pub struct He2ProfileTable {
    /// Lower level index
    pub il: usize,
    /// Upper level index
    pub iu: usize,
    /// Central wavelength
    pub wl0: f64,
    /// Number of wavelength points
    pub nwl: usize,
    /// Log10 wavelength displacements [NWL_HE2_MAX]
    pub wl: [f64; NWL_HE2_MAX],
    /// Log10 temperature grid [NT_HE2]
    pub xt: [f64; NT_HE2],
    /// Log10 electron density grid [NE_HE2]
    pub xne: [f64; NE_HE2],
    /// Profile values [NWL_HE2_MAX x NT_HE2 x NE_HE2]
    pub prf: [[[f64; NE_HE2]; NT_HE2]; NWL_HE2_MAX],
    /// Asymptotic profile coefficient
    pub xk: f64,
}

impl Default for He2ProfileTable {
    fn default() -> Self {
        Self {
            il: 0,
            iu: 0,
            wl0: 0.0,
            nwl: 0,
            wl: [0.0; NWL_HE2_MAX],
            xt: [0.0; NT_HE2],
            xne: [0.0; NE_HE2],
            prf: [[[0.0; NE_HE2]; NT_HE2]; NWL_HE2_MAX],
            xk: 0.0,
        }
    }
}

/// He II line initialization result
#[derive(Debug, Clone)]
pub struct He2InitResult {
    /// Profile tables for each line
    pub tables: Vec<He2ProfileTable>,
    /// Number of wavelength points per line [NLINE_HE2]
    pub nwlhe2: [usize; NLINE_HE2],
    /// Lower level indices [NLINE_HE2]
    pub ilhe2: [usize; NLINE_HE2],
    /// Upper level indices [NLINE_HE2]
    pub iuhe2: [usize; NLINE_HE2],
}

impl Default for He2InitResult {
    fn default() -> Self {
        Self {
            tables: Vec::new(),
            nwlhe2: [0; NLINE_HE2],
            ilhe2: [0; NLINE_HE2],
            iuhe2: [0; NLINE_HE2],
        }
    }
}

/// Parameters for HE2INI
pub struct He2iniParams {
    /// Path to data directory
    pub data_dir: String,
    /// Model depth points
    pub nd: usize,
    /// Temperature array [nd]
    pub temp: Vec<f64>,
    /// Electron density array [nd]
    pub elec: Vec<f64>,
    /// Turbulent velocity array [nd]
    pub vturb: Vec<f64>,
}

/// Initialize He II line profile data.
///
/// # Arguments
/// * `params` - Initialization parameters
///
/// # Returns
/// He II line initialization result with profile tables
pub fn he2ini(params: &He2iniParams) -> std::io::Result<He2InitResult> {
    let filename = format!("{}/he2prf.dat", params.data_dir);
    let file = File::open(&filename)?;
    let reader = BufReader::new(file);
    let mut lines = reader.lines();

    let mut result = He2InitResult::default();

    for iline in 0..NLINE_HE2 {
        // Read line indices: FORMAT(//14X,I2,9X,I2/)
        let header = read_next_nonblank(&mut lines)?;
        let (il, iu) = parse_he2_header(&header)?;

        result.ilhe2[iline] = il;
        result.iuhe2[iline] = iu;

        // Compute central wavelength
        let wl00 = if il <= 2 { 227.838 } else { 227.7776 };
        let wl0 = wl00 / (1.0 / (il as f64).powi(2) - 1.0 / (iu as f64).powi(2));

        let mut table = He2ProfileTable {
            il,
            iu,
            wl0,
            ..Default::default()
        };

        // Read wavelength points
        let wl_line = read_next_line(&mut lines)?;
        let wl_parts = parse_he2_data(&wl_line)?;
        let nwl = wl_parts[0] as usize;
        table.nwl = nwl;
        result.nwlhe2[iline] = nwl;
        for i in 0..nwl.min(NWL_HE2_MAX) {
            table.wl[i] = if wl_parts[i + 1] < 1.0e-4 {
                (1.0e-4_f64).log10()
            } else {
                wl_parts[i + 1].log10()
            };
        }

        // Read temperature points: FORMAT(2X,I4,F10.3,5F12.3)
        let xt_line = read_next_line(&mut lines)?;
        let xt_parts = parse_he2_data(&xt_line)?;
        let nt = xt_parts[0] as usize;
        for i in 0..nt.min(NT_HE2) {
            table.xt[i] = xt_parts[i + 1];
        }

        // Read electron density points: FORMAT(2X,I4,F10.2,5F12.2/4X,5F12.2)
        let xne_line = read_next_line(&mut lines)?;
        let xne_parts = parse_he2_data(&xne_line)?;
        let ne = xne_parts[0] as usize;
        for i in 0..ne.min(NE_HE2) {
            table.xne[i] = xne_parts[i + 1];
        }

        // Skip blank line
        lines.next();

        // Read profile data: FORMAT(10F8.3)
        for ie in 0..ne.min(NE_HE2) {
            for _it in 0..nt.min(NT_HE2) {
                lines.next(); // Skip blank line
                let prf_line = read_next_line(&mut lines)?;
                let prf_parts = parse_he2_data(&prf_line)?;
                for iwl in 0..nwl.min(NWL_HE2_MAX) {
                    if iwl < prf_parts.len() {
                        table.prf[iwl][_it][ie] = prf_parts[iwl];
                    }
                }
            }
        }

        // Compute asymptotic profile coefficient
        if nwl > 0 && ne > 0 {
            let xclog = table.prf[nwl - 1][0][0]
                + 2.5 * table.wl[nwl - 1]
                + 31.831
                - table.xne[0]
                - 2.0 * wl0.log10();
            let xklog = 0.6666667 * (xclog - 0.176);
            table.xk = (xklog * std::f64::consts::LN_10).exp();
        }

        result.tables.push(table);
    }

    Ok(result)
}

/// Read next non-empty line
fn read_next_line(lines: &mut impl Iterator<Item = std::io::Result<String>>) -> std::io::Result<String> {
    loop {
        match lines.next() {
            Some(Ok(line)) => return Ok(line),
            Some(Err(e)) => return Err(e),
            None => return Err(std::io::Error::new(
                std::io::ErrorKind::UnexpectedEof,
                "Unexpected end of file",
            )),
        }
    }
}

/// Read next non-blank line (skip empty lines)
fn read_next_nonblank(lines: &mut impl Iterator<Item = std::io::Result<String>>) -> std::io::Result<String> {
    loop {
        let line = read_next_line(lines)?;
        if !line.trim().is_empty() {
            return Ok(line);
        }
    }
}

/// Parse He II header line: FORMAT(//14X,I2,9X,I2/)
fn parse_he2_header(line: &str) -> std::io::Result<(usize, usize)> {
    let parts: Vec<&str> = line.split_whitespace().collect();
    if parts.len() < 2 {
        return Err(std::io::Error::new(
            std::io::ErrorKind::InvalidData,
            format!("Invalid He II header: {}", line),
        ));
    }

    let il = parts[0].parse::<usize>().map_err(|e| {
        std::io::Error::new(std::io::ErrorKind::InvalidData, format!("IL: {}", e))
    })?;
    let iu = parts[1].parse::<usize>().map_err(|e| {
        std::io::Error::new(std::io::ErrorKind::InvalidData, format!("IU: {}", e))
    })?;

    Ok((il, iu))
}

/// Parse He II data line (free format)
fn parse_he2_data(line: &str) -> std::io::Result<Vec<f64>> {
    let values: Vec<f64> = line
        .split_whitespace()
        .filter_map(|s| s.parse::<f64>().ok())
        .collect();

    Ok(values)
}

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

    #[test]
    fn test_he2ini_default() {
        let result = He2InitResult::default();
        assert_eq!(result.nwlhe2.len(), NLINE_HE2);
        assert_eq!(result.ilhe2.len(), NLINE_HE2);
        assert!(result.tables.is_empty());
    }

    #[test]
    fn test_he2_profile_table_default() {
        let table = He2ProfileTable::default();
        assert_eq!(table.nwl, 0);
        assert_eq!(table.il, 0);
        assert_eq!(table.iu, 0);
    }

    #[test]
    fn test_parse_he2_header() {
        let line = "  1         2";
        let result = parse_he2_header(line);
        assert!(result.is_ok());
        let (il, iu) = result.unwrap();
        assert_eq!(il, 1);
        assert_eq!(iu, 2);
    }

    #[test]
    fn test_parse_he2_data() {
        let line = "  19  0.123  0.456  0.789";
        let result = parse_he2_data(line);
        assert!(result.is_ok());
        let values = result.unwrap();
        assert_eq!(values.len(), 4);
        assert!((values[0] - 19.0).abs() < 1e-10);
    }
}