neopdf 0.3.0-alpha4

A modern, fast, and reliable PDF interpolation library
Documentation
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//! This module provides utilities for serializing, compressing, and efficiently accessing PDF grid data.
//!
//! It defines types and methods for writing and reading collections of [`GridArray`]s to and from
//! compressed files, supporting both eager and lazy access patterns. The module is designed for
//! efficient storage and retrieval of large PDF sets, with shared metadata and support for random
//! access to individual members.
//!
//! # Main Features
//!
//! - Compression and decompression of multiple [`GridArray`]s with shared metadata using LZ4 and bincode
//!   serialization.
//! - Random access to individual grid members without loading the entire collection into memory.
//! - Extraction of metadata without full decompression.
//! - Lazy iteration over grid members for memory-efficient processing of large sets.
//!
//! # Key Types
//!
//! - [`GridArrayWithMetadata`]: Container for a grid and its associated metadata.
//! - [`GridArrayCollection`]: Static interface for compressing and decompressing collections of grids.
//! - [`GridArrayReader`]: Provides random access to individual grids in a compressed file.
//! - [`LazyGridArrayIterator`]: Enables lazy, sequential iteration over grid members.
//!
//! See the documentation for each type for more details on available methods and usage patterns.
use std::env;
use std::fs::File;
use std::io::{BufReader, BufWriter, Read, Write};
use std::path::Path;
use std::sync::Arc;

use git_version::git_version;
use lz4_flex::frame::{FrameDecoder, FrameEncoder};
use tempfile::NamedTempFile;

use super::gridpdf::GridArray;
use super::metadata::MetaData;

const GIT_VERSION: &str = git_version!(
    args = ["--always", "--dirty", "--long", "--tags"],
    cargo_prefix = "cargo:",
    fallback = "unknown"
);
const CODE_VERSION: &str = env!("CARGO_PKG_VERSION");

/// Container for a [`GridArray`] with a shared reference to its associated metadata.
///
/// Used to bundle grid data and metadata together for convenient access after decompression
/// or random access.
#[derive(Debug)]
pub struct GridArrayWithMetadata {
    pub grid: GridArray,
    pub metadata: Arc<MetaData>,
}

/// Static interface for compressing and decompressing of [`GridArray`]s with shared metadata.
///
/// Provides methods for writing, reading, and extracting metadata from compressed files.
pub struct GridArrayCollection;

impl GridArrayCollection {
    /// Compresses and writes a collection of [`GridArray`]s and shared metadata to a file.
    ///
    /// # Arguments
    ///
    /// * `grids` - Slice of grid arrays to compress.
    /// * `metadata` - Shared metadata for all grids.
    /// * `path` - Output file path.
    ///
    /// # Returns
    ///
    /// `Ok(())` on success, or an error if writing fails.
    pub fn compress<P: AsRef<Path>>(
        grids: &[&GridArray],
        metadata: &MetaData,
        path: P,
    ) -> Result<(), Box<dyn std::error::Error>> {
        let file = File::create(path)?;
        let buf_writer = BufWriter::new(file);
        let mut encoder = FrameEncoder::new(buf_writer);

        let mut metadata_mut = metadata.clone();
        if metadata_mut.git_version.is_empty() || metadata_mut.git_version == "unknown" {
            metadata_mut.git_version = GIT_VERSION.to_string();
        }
        if metadata_mut.code_version.is_empty() {
            metadata_mut.code_version = CODE_VERSION.to_string();
        }
        let metadata_serialized = bincode::serialize(&metadata_mut)?;
        let metadata_size = metadata_serialized.len() as u64;

        let metadata_size_bytes = bincode::serialize(&metadata_size)?;
        encoder.write_all(&metadata_size_bytes)?;
        encoder.write_all(&metadata_serialized)?;

        // Write number of grids
        let count = grids.len() as u64;
        let count_bytes = bincode::serialize(&count)?;
        encoder.write_all(&count_bytes)?;

        // Serialize all grids first
        let mut serialized_grids = Vec::new();
        for grid in grids {
            let serialized = bincode::serialize(grid)?;
            serialized_grids.push(serialized);
        }

        // Calculate offsets relative to start of data section
        let mut offsets = Vec::new();
        let mut current_offset = 0u64;

        // Each grid entry has: 8 bytes for size + data
        for serialized in &serialized_grids {
            offsets.push(current_offset);
            current_offset += 8; // size field
            current_offset += serialized.len() as u64;
        }

        // Write offset table size and offsets
        let offset_table_size = (serialized_grids.len() * 8) as u64;
        let offset_table_size_bytes = bincode::serialize(&offset_table_size)?;
        encoder.write_all(&offset_table_size_bytes)?;

        for offset in &offsets {
            let offset_bytes = bincode::serialize(offset)?;
            encoder.write_all(&offset_bytes)?;
        }

        // Write grid data
        for serialized in &serialized_grids {
            let size = serialized.len() as u64;
            let size_bytes = bincode::serialize(&size)?;
            encoder.write_all(&size_bytes)?;
            encoder.write_all(serialized)?;
        }

        let mut writer = encoder.finish()?;
        writer.flush()?;

        // Sync to disk to ensure data is written before returning
        writer.get_mut().sync_all()?;

        Ok(())
    }

    /// Decompresses and loads all [`GridArray`]s and shared metadata from a file.
    ///
    /// # Arguments
    ///
    /// * `path` - Input file path.
    ///
    /// # Returns
    ///
    /// A vector of [`GridArrayWithMetadata`] on success, or an error if reading fails.
    pub fn decompress<P: AsRef<Path>>(
        path: P,
    ) -> Result<Vec<GridArrayWithMetadata>, Box<dyn std::error::Error>> {
        let file = File::open(path)?;
        let buf_reader = BufReader::new(file);
        let mut decoder = FrameDecoder::new(buf_reader);

        let mut decompressed = Vec::new();
        decoder.read_to_end(&mut decompressed)?;

        let mut cursor = std::io::Cursor::new(decompressed);

        // Read versioned metadata
        let metadata_size: u64 = bincode::deserialize_from(&mut cursor)?;
        let mut metadata_bytes = vec![0u8; metadata_size as usize];
        cursor.read_exact(&mut metadata_bytes)?;

        // Deserialize versioned metadata and convert to latest
        let versioned_metadata: MetaData = bincode::deserialize(&metadata_bytes)?;
        let shared_metadata = Arc::new(versioned_metadata);
        let count: u64 = bincode::deserialize_from(&mut cursor)?;

        // Read offset table size (but don't skip it!)
        let _offset_table_size: u64 = bincode::deserialize_from(&mut cursor)?;

        // Read the actual offsets
        let mut offsets = Vec::with_capacity(count as usize);
        for _ in 0..count {
            let offset: u64 = bincode::deserialize_from(&mut cursor)?;
            offsets.push(offset);
        }

        // Now read the grid data
        let mut grids = Vec::with_capacity(count as usize);
        for _ in 0..count {
            let size: u64 = bincode::deserialize_from(&mut cursor)?;
            let mut grid_bytes = vec![0u8; size as usize];
            cursor.read_exact(&mut grid_bytes)?;

            let grid: GridArray = bincode::deserialize(&grid_bytes)?;
            grids.push(GridArrayWithMetadata {
                grid,
                metadata: Arc::clone(&shared_metadata),
            });
        }

        Ok(grids)
    }

    /// Extracts just the metadata from a compressed file without loading the grids.
    ///
    /// # Arguments
    ///
    /// * `path` - Input file path.
    ///
    /// # Returns
    ///
    /// The [`MetaData`] struct on success, or an error if reading fails.
    pub fn extract_metadata<P: AsRef<Path>>(
        path: P,
    ) -> Result<MetaData, Box<dyn std::error::Error>> {
        let file = File::open(path)?;
        let buf_reader = BufReader::new(file);
        let mut decoder = FrameDecoder::new(buf_reader);

        let mut decompressed = Vec::new();
        decoder.read_to_end(&mut decompressed)?;

        let mut cursor = std::io::Cursor::new(decompressed);

        let metadata_size: u64 = bincode::deserialize_from(&mut cursor)?;
        let mut metadata_bytes = vec![0u8; metadata_size as usize];
        cursor.read_exact(&mut metadata_bytes)?;
        let metadata: MetaData = bincode::deserialize(&metadata_bytes)?;

        Ok(metadata)
    }
}

/// Provides random access to individual [`GridArray`]s in a compressed file without loading the entire collection.
///
/// Useful for efficient access to large PDF sets where only a subset of members is needed.
pub struct GridArrayReader {
    data: Vec<u8>,
    metadata: Arc<MetaData>,
    offsets: Vec<u64>,
    count: u64,
    data_start: u64,
}

impl GridArrayReader {
    /// Creates a new reader from a file, enabling random access to grid members.
    ///
    /// This method automatically handles backward compatibility with v0.2.0 files.
    /// If reading with the current format fails, it falls back to using the legacy
    /// loader.
    ///
    /// # Arguments
    ///
    /// * `path` - Input file path.
    ///
    /// # Returns
    ///
    /// A [`GridArrayReader`] instance on success, or an error if reading fails.
    pub fn from_file<P: AsRef<Path>>(path: P) -> Result<Self, Box<dyn std::error::Error>> {
        match Self::from_file_v2(path.as_ref()) {
            Ok(reader) => Ok(reader),
            Err(err) => {
                let error_string = format!("{:?}", err);

                if error_string.contains("UnexpectedEof")
                    || error_string.contains("Eof")
                    || error_string.contains("Grid is not v2")
                {
                    match Self::from_file_legacy(path.as_ref()) {
                        Ok(reader) => Ok(reader),
                        Err(legacy_err) => Err(format!(
                            "Failed to load PDF with both v0.2.1+ ({}) and v0.2.0 ({}) loaders",
                            err, legacy_err
                        )
                        .into()),
                    }
                } else {
                    Err(err)
                }
            }
        }
    }

    /// Loads a file using the v0.2.1+ format.
    fn from_file_v2(path: &Path) -> Result<Self, Box<dyn std::error::Error>> {
        let file = File::open(path)?;
        let buf_reader = BufReader::new(file);
        let mut decoder = FrameDecoder::new(buf_reader);

        let mut data = Vec::new();
        decoder.read_to_end(&mut data)?;

        let mut cursor = std::io::Cursor::new(&data);

        let metadata_size: u64 = bincode::deserialize_from(&mut cursor)?;
        let mut metadata_bytes = vec![0u8; metadata_size as usize];
        cursor.read_exact(&mut metadata_bytes)?;
        let metadata: MetaData = bincode::deserialize(&metadata_bytes)?;
        let shared_metadata = Arc::new(metadata);
        let count: u64 = bincode::deserialize_from(&mut cursor)?;

        let _offset_table_size: u64 = bincode::deserialize_from(&mut cursor)?;

        let mut offsets = Vec::with_capacity(count as usize);
        for _ in 0..count {
            let offset: u64 = bincode::deserialize_from(&mut cursor)?;
            offsets.push(offset);
        }

        let data_start = cursor.position();

        Ok(Self {
            data,
            metadata: shared_metadata,
            offsets,
            count,
            data_start,
        })
    }

    /// Loads a file using the legacy v0.2.0 format and converts it to v0.2.1+ format.
    fn from_file_legacy(path: &Path) -> Result<Self, Box<dyn std::error::Error>> {
        let legacy_reader = neopdf_legacy::writer::GridArrayReader::from_file(path)?;

        let legacy_metadata = legacy_reader.metadata();
        let metadata = MetaData::from((**legacy_metadata).clone());

        let mut new_grids = Vec::new();
        for i in 0..legacy_reader.len() {
            let legacy_grid_with_meta = legacy_reader.load_grid(i)?;
            let converted_grid = Self::convert_legacy_grid(legacy_grid_with_meta.grid);
            new_grids.push(converted_grid);
        }

        let temp_file = NamedTempFile::new()?;
        let temp_path = temp_file.path();

        let grid_refs: Vec<&GridArray> = new_grids.iter().collect();
        GridArrayCollection::compress(&grid_refs, &metadata, temp_path)?;
        let result = Self::from_file_v2(temp_path)?;

        Ok(result)
    }

    /// Converts a legacy GridArray to the new format.
    fn convert_legacy_grid(legacy_grid: neopdf_legacy::gridpdf::GridArray) -> GridArray {
        use crate::subgrid::{GridData, ParamRange, SubGrid};
        use ndarray::Array1;

        let subgrids: Vec<SubGrid> = legacy_grid
            .subgrids
            .into_iter()
            .map(|legacy_subgrid| SubGrid {
                xs: legacy_subgrid.xs,
                q2s: legacy_subgrid.q2s,
                kts: legacy_subgrid.kts,
                xis: Array1::from_vec(vec![0.0]),
                deltas: Array1::from_vec(vec![0.0]),
                grid: GridData::Grid6D(legacy_subgrid.grid),
                nucleons: legacy_subgrid.nucleons,
                alphas: legacy_subgrid.alphas,
                nucleons_range: ParamRange {
                    min: legacy_subgrid.nucleons_range.min,
                    max: legacy_subgrid.nucleons_range.max,
                },
                alphas_range: ParamRange {
                    min: legacy_subgrid.alphas_range.min,
                    max: legacy_subgrid.alphas_range.max,
                },
                xi_range: ParamRange::new(0.0, 0.0),
                delta_range: ParamRange::new(0.0, 0.0),
                kt_range: ParamRange {
                    min: legacy_subgrid.kt_range.min,
                    max: legacy_subgrid.kt_range.max,
                },
                x_range: ParamRange {
                    min: legacy_subgrid.x_range.min,
                    max: legacy_subgrid.x_range.max,
                },
                q2_range: ParamRange {
                    min: legacy_subgrid.q2_range.min,
                    max: legacy_subgrid.q2_range.max,
                },
            })
            .collect();

        GridArray::from_parts(legacy_grid.pids, subgrids)
    }

    /// Returns the number of grid arrays in the collection.
    pub fn len(&self) -> usize {
        self.count as usize
    }

    /// Returns true if the collection is empty.
    pub fn is_empty(&self) -> bool {
        self.count == 0
    }

    /// Returns a reference to the shared metadata.
    pub fn metadata(&self) -> &Arc<MetaData> {
        &self.metadata
    }

    /// Loads a specific [`GridArrayWithMetadata`] by index.
    ///
    /// # Arguments
    ///
    /// * `index` - The index of the grid to load.
    ///
    /// # Returns
    ///
    /// The requested [`GridArrayWithMetadata`] on success, or an error if the
    /// index is out of bounds or reading fails.
    pub fn load_grid(
        &self,
        index: usize,
    ) -> Result<GridArrayWithMetadata, Box<dyn std::error::Error>> {
        if index >= self.count as usize {
            return Err(format!(
                "Index {} out of bounds for collection of size {}",
                index, self.count
            )
            .into());
        }

        let offset = self.data_start + self.offsets[index];
        let mut cursor = std::io::Cursor::new(&self.data);
        cursor.set_position(offset);
        let size: u64 = bincode::deserialize_from(&mut cursor)?;

        let mut grid_bytes = vec![0u8; size as usize];
        cursor.read_exact(&mut grid_bytes)?;

        let grid: GridArray = bincode::deserialize(&grid_bytes)?;

        Ok(GridArrayWithMetadata {
            grid,
            metadata: Arc::clone(&self.metadata),
        })
    }
}

/// Iterator for lazily reading [`GridArrayWithMetadata`] members from a compressed file.
///
/// Useful for memory-efficient sequential processing of large PDF sets.
pub struct LazyGridArrayIterator {
    cursor: std::io::Cursor<Vec<u8>>,
    remaining: u64,
    metadata: Arc<MetaData>,
    buffer: Vec<u8>,
}

impl LazyGridArrayIterator {
    /// Creates a new lazy iterator from a reader.
    ///
    /// # Arguments
    ///
    /// * `reader` - Any type implementing [`Read`].
    ///
    /// # Returns
    ///
    /// A [`LazyGridArrayIterator`] instance on success, or an error if reading fails.
    pub fn new<R: Read>(reader: R) -> Result<Self, Box<dyn std::error::Error>> {
        let mut decoder = FrameDecoder::new(reader);
        let mut decompressed = Vec::new();
        decoder.read_to_end(&mut decompressed)?;

        let mut cursor = std::io::Cursor::new(decompressed);

        let metadata_size: u64 = bincode::deserialize_from(&mut cursor)?;
        let mut metadata_bytes = vec![0u8; metadata_size as usize];
        cursor.read_exact(&mut metadata_bytes)?;
        let metadata: MetaData = bincode::deserialize(&metadata_bytes)?;
        let shared_metadata = Arc::new(metadata);

        let count: u64 = bincode::deserialize_from(&mut cursor)?;

        // Read and skip the offset table
        let offset_table_size: u64 = bincode::deserialize_from(&mut cursor)?;
        let mut offset_table_bytes = vec![0u8; offset_table_size as usize];
        cursor.read_exact(&mut offset_table_bytes)?;

        Ok(Self {
            cursor,
            remaining: count,
            metadata: shared_metadata,
            buffer: Vec::new(),
        })
    }

    /// Creates a new lazy iterator from a file path.
    ///
    /// This method automatically handles backward compatibility with v0.2.0 files.
    /// If reading with the current format fails, it falls back to using the legacy loader.
    ///
    /// # Arguments
    ///
    /// * `path` - Input file path.
    ///
    /// # Returns
    ///
    /// A [`LazyGridArrayIterator`] instance on success, or an error if reading fails.
    pub fn from_file<P: AsRef<Path>>(path: P) -> Result<Self, Box<dyn std::error::Error>> {
        match Self::from_file_v2(path.as_ref()) {
            Ok(iter) => Ok(iter),
            Err(e) => {
                let error_string = format!("{:?}", e);

                if error_string.contains("UnexpectedEof")
                    || error_string.contains("Eof")
                    || error_string.contains("unexpected end of file")
                {
                    match Self::from_file_legacy(path.as_ref()) {
                        Ok(iter) => Ok(iter),
                        Err(legacy_err) => Err(format!(
                            "Failed to load PDF with both v0.2.1+ ({}) and v0.2.0 ({}) loaders",
                            e, legacy_err
                        )
                        .into()),
                    }
                } else {
                    Err(e)
                }
            }
        }
    }

    /// Loads a file using the v0.2.1+ format for lazy iteration.
    fn from_file_v2(path: &Path) -> Result<Self, Box<dyn std::error::Error>> {
        let file = File::open(path)?;
        let buf_reader = BufReader::new(file);
        Self::new(buf_reader)
    }

    /// Loads a file using the legacy v0.2.0 format and converts it to v0.2.1+ format for lazy iteration.
    fn from_file_legacy(path: &Path) -> Result<Self, Box<dyn std::error::Error>> {
        let legacy_reader = neopdf_legacy::writer::GridArrayReader::from_file(path)?;

        let legacy_metadata = legacy_reader.metadata();
        let metadata = MetaData::from((**legacy_metadata).clone());

        let mut new_grids = Vec::new();
        for i in 0..legacy_reader.len() {
            let legacy_grid_with_meta = legacy_reader.load_grid(i)?;
            let converted_grid = GridArrayReader::convert_legacy_grid(legacy_grid_with_meta.grid);
            new_grids.push(converted_grid);
        }

        let temp_file = NamedTempFile::new()?;
        let temp_path = temp_file.path();

        let grid_refs: Vec<&GridArray> = new_grids.iter().collect();
        GridArrayCollection::compress(&grid_refs, &metadata, temp_path)?;
        let result = Self::from_file_v2(temp_path)?;

        Ok(result)
    }

    /// Returns a reference to the shared metadata.
    pub fn metadata(&self) -> &Arc<MetaData> {
        &self.metadata
    }
}

impl Iterator for LazyGridArrayIterator {
    type Item = Result<GridArrayWithMetadata, Box<dyn std::error::Error>>;

    fn next(&mut self) -> Option<Self::Item> {
        if self.remaining == 0 {
            return None;
        }

        let result = (|| -> Result<GridArrayWithMetadata, Box<dyn std::error::Error>> {
            let size: u64 = bincode::deserialize_from(&mut self.cursor)?;
            self.buffer.resize(size as usize, 0);
            self.cursor.read_exact(&mut self.buffer)?;

            let grid: GridArray = bincode::deserialize(&self.buffer)?;

            Ok(GridArrayWithMetadata {
                grid,
                metadata: Arc::clone(&self.metadata),
            })
        })();

        self.remaining -= 1;
        Some(result)
    }

    fn size_hint(&self) -> (usize, Option<usize>) {
        let remaining = self.remaining as usize;
        (remaining, Some(remaining))
    }
}

impl ExactSizeIterator for LazyGridArrayIterator {}

#[cfg(test)]
mod tests {
    use super::*;
    use ndarray::Array1;
    use tempfile::NamedTempFile;

    use crate::metadata::{InterpolatorType, MetaDataV2, SetType};

    #[test]
    fn test_collection_with_metadata() {
        let metadata = MetaDataV2 {
            set_desc: "Test PDF".into(),
            set_index: 1,
            num_members: 2,
            x_min: 1e-5,
            x_max: 1.0,
            q_min: 1.0,
            q_max: 1000.0,
            flavors: vec![1, 2, 3],
            format: "NeoPDF".into(),
            alphas_q_values: vec![],
            alphas_vals: vec![],
            polarised: false,
            set_type: SetType::SpaceLike,
            interpolator_type: InterpolatorType::LogBicubic,
            error_type: "replicas".into(),
            hadron_pid: 2212,
            git_version: String::new(),
            code_version: String::new(),
            flavor_scheme: String::new(),
            order_qcd: 0,
            alphas_order_qcd: 0,
            m_w: 0.0,
            m_z: 0.0,
            m_up: 0.0,
            m_down: 0.0,
            m_strange: 0.0,
            m_charm: 0.0,
            m_bottom: 0.0,
            m_top: 0.0,
            alphas_type: String::new(),
            number_flavors: 0,
            // V2 fields
            xi_min: 0.0,
            xi_max: 0.0,
            delta_min: 0.0,
            delta_max: 0.0,
        };

        let test_grid = test_grid();
        let grids = vec![&test_grid, &test_grid];
        let temp_file = NamedTempFile::new().unwrap();
        let path = temp_file.path();

        GridArrayCollection::compress(&grids, &metadata, path).unwrap();
        let extracted = GridArrayCollection::extract_metadata(path).unwrap();
        assert_eq!(metadata.set_desc, extracted.set_desc);
        assert_eq!(metadata.set_index, extracted.set_index);

        let decompressed = GridArrayCollection::decompress(path).unwrap();
        assert_eq!(decompressed.len(), 2);
        for g in &decompressed {
            assert_eq!(g.metadata.set_desc, "Test PDF");
            assert_eq!(g.grid.pids, Array1::from(vec![1, 2, 3]));
        }

        let g_iter = LazyGridArrayIterator::from_file(path).unwrap();
        assert_eq!(g_iter.metadata().set_index, 1);
        assert_eq!(g_iter.count(), 2);
    }

    fn test_grid() -> GridArray {
        GridArray::from_parts(Array1::from(vec![1, 2, 3]), vec![])
    }
}