redicat 0.4.2

REDICAT - RNA Editing Cellular Assessment Toolkit: A highly parallelized utility for analyzing RNA editing events in single-cell RNA-seq data
Documentation
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//! Optimized AnnData operations with better memory management and error handling

use crate::core::error::{RedicatError, Result};
use crate::core::sparse::SparseOps;
use anndata::data::array::dataframe::DataFrameIndex;
use anndata::{
    data::*,
    traits::{AnnDataOp, AxisArraysOp},
    AnnData, Backend,
};
use anndata_hdf5::H5;
use log::{debug, info, warn};
use nalgebra_sparse::CsrMatrix;
use polars::prelude::*;
use std::collections::HashMap;
use std::convert::TryFrom;
use std::path::{Path, PathBuf};
use std::sync::Arc;
use tempfile::TempDir;

/// Configurable memory budget that controls when layers are spilled to disk.
///
/// When the estimated in-memory size of all layers exceeds `limit_bytes`,
/// individual layers can be transparently spilled to temporary files and
/// reloaded on demand.
#[derive(Debug, Clone)]
pub struct MemoryBudget {
    /// Maximum number of bytes the layer store should occupy before spilling.
    pub limit_bytes: u64,
}

impl MemoryBudget {
    /// Create a new budget with the given byte limit.
    pub fn new(limit_bytes: u64) -> Self {
        Self { limit_bytes }
    }

    /// Default budget: 128 GiB.
    pub fn default_budget() -> Self {
        Self::new(128 * 1024 * 1024 * 1024)
    }
}

/// Optimized AnnData container with better memory management
#[derive(Debug, Clone)]
pub struct AnnDataContainer {
    pub obs: DataFrame,
    pub var: DataFrame,
    pub x: Option<CsrMatrix<f64>>,
    pub layers: HashMap<String, CsrMatrix<u32>>,
    pub n_obs: usize,
    pub n_vars: usize,
    pub var_names: Vec<String>,
    pub obs_names: Vec<String>,
    /// Tracks which layers have been spilled to disk (layer_name → path).
    spilled_layers: HashMap<String, PathBuf>,
    /// Temporary directory that owns the spill files (auto-deleted on drop).
    spill_dir: Option<Arc<TempDir>>,
    /// Memory budget controlling spill behaviour.
    memory_budget: Option<MemoryBudget>,
}

impl AnnDataContainer {
    /// Create a new empty AnnDataContainer
    pub fn new(n_obs: usize, n_vars: usize) -> Self {
        let obs_names: Vec<String> = (0..n_obs).map(|i| format!("cell_{}", i)).collect();
        let var_names: Vec<String> = (0..n_vars).map(|i| format!("gene_{}", i)).collect();

        let obs = DataFrame::new(vec![
            Series::new("obs_names".into(), obs_names.clone()).into()
        ])
        .unwrap();

        let var = DataFrame::new(vec![
            Series::new("var_names".into(), var_names.clone()).into()
        ])
        .unwrap();

        Self {
            obs,
            var,
            x: None,
            layers: HashMap::new(),
            n_obs,
            n_vars,
            var_names,
            obs_names,
            spilled_layers: HashMap::new(),
            spill_dir: None,
            memory_budget: None,
        }
    }

    // ---- Memory-budget & spill API ----

    /// Attach a memory budget. Without a budget, spilling never happens.
    pub fn set_memory_budget(&mut self, budget: MemoryBudget) {
        info!("Memory budget set to {} bytes", budget.limit_bytes);
        self.memory_budget = Some(budget);
    }

    /// Total estimated in-memory bytes consumed by all resident layers.
    pub fn resident_layer_bytes(&self) -> usize {
        self.layers
            .values()
            .map(|m| SparseOps::estimate_csr_bytes(m))
            .sum()
    }

    /// Spill a named layer to a temporary file, freeing its in-memory
    /// representation.  Returns `Ok(true)` if the layer was spilled,
    /// `Ok(false)` if the layer was not found.
    pub fn spill_layer(&mut self, layer_name: &str) -> Result<bool> {
        let matrix = match self.layers.remove(layer_name) {
            Some(m) => m,
            None => return Ok(false),
        };

        // Lazily create the spill directory
        if self.spill_dir.is_none() {
            self.spill_dir = Some(Arc::new(
                TempDir::new()
                    .map_err(|e| RedicatError::Io(e))?,
            ));
        }
        let dir = self.spill_dir.as_ref().unwrap();
        let path = dir.path().join(format!("{}.csr", layer_name));

        SparseOps::spill_to_file(&matrix, &path)?;
        let bytes = SparseOps::estimate_csr_bytes(&matrix);
        info!("Spilled layer '{}' ({} KB) to {:?}", layer_name, bytes / 1024, path);
        self.spilled_layers.insert(layer_name.to_string(), path);
        Ok(true)
    }

    /// Load a previously spilled layer back into memory.
    /// If the layer is already resident, this is a no-op.
    pub fn load_layer(&mut self, layer_name: &str) -> Result<()> {
        if self.layers.contains_key(layer_name) {
            return Ok(());
        }
        let path = match self.spilled_layers.remove(layer_name) {
            Some(p) => p,
            None => return Err(RedicatError::DataProcessing(
                format!("Layer '{}' is neither resident nor spilled", layer_name),
            )),
        };
        let matrix = SparseOps::load_from_file(&path)?;
        info!("Loaded spilled layer '{}' ({} KB) from {:?}",
            layer_name, SparseOps::estimate_csr_bytes(&matrix) / 1024, path);
        self.layers.insert(layer_name.to_string(), matrix);
        // Clean up file
        let _ = std::fs::remove_file(&path);
        Ok(())
    }

    /// If a memory budget is set and current resident bytes exceed it,
    /// spill the largest layer that is NOT in the `keep` set.
    /// Repeats until under budget or no more layers can be spilled.
    pub fn auto_spill_if_needed(&mut self, keep: &[&str]) -> Result<()> {
        let budget = match &self.memory_budget {
            Some(b) => b.limit_bytes,
            None => return Ok(()),
        };
        loop {
            let resident = self.resident_layer_bytes() as u64;
            if resident <= budget {
                break;
            }
            // Find the largest spillable layer not in keep set
            let candidate = self
                .layers
                .iter()
                .filter(|(name, _)| !keep.iter().any(|&k| k == name.as_str()))
                .max_by_key(|(_, m)| SparseOps::estimate_csr_bytes(m))
                .map(|(name, _)| name.clone());

            match candidate {
                Some(name) => {
                    self.spill_layer(&name)?;
                }
                None => {
                    warn!(
                        "Memory budget exceeded ({} > {}) but no spillable layers remain",
                        resident, budget
                    );
                    break;
                }
            }
        }
        Ok(())
    }

    /// Compute row sums for a layer with error handling
    pub fn compute_layer_row_sums(&self, layer_name: &str) -> Option<Vec<u32>> {
        match self.layers.get(layer_name) {
            Some(matrix) => {
                debug!("Computing row sums for layer: {}", layer_name);
                Some(SparseOps::compute_row_sums(matrix))
            }
            None => {
                warn!(
                    "Layer '{}' not found. Available layers: {:?}",
                    layer_name,
                    self.layers.keys().collect::<Vec<_>>()
                );
                None
            }
        }
    }

    /// Compute column sums for a layer with error handling
    pub fn compute_layer_col_sums(&self, layer_name: &str) -> Option<Vec<u32>> {
        match self.layers.get(layer_name) {
            Some(matrix) => {
                debug!("Computing column sums for layer: {}", layer_name);
                Some(SparseOps::compute_col_sums(matrix))
            }
            None => {
                warn!(
                    "Layer '{}' not found. Available layers: {:?}",
                    layer_name,
                    self.layers.keys().collect::<Vec<_>>()
                );
                None
            }
        }
    }

    /// Get total coverage across all base layers with optimized computation
    pub fn compute_total_coverage(&self) -> Vec<u32> {
        // Determine layer strategy based on available layers
        let layer_names = if self.layers.contains_key("A0") {
            // Stranded data
            vec!["A0", "T0", "G0", "C0", "A1", "T1", "G1", "C1"]
        } else {
            // Unstranded data
            vec!["A1", "T1", "G1", "C1"]
        };

        debug!("Computing total coverage using layers: {:?}", layer_names);

        // Collect existing matrices
        let matrices: Vec<&CsrMatrix<u32>> = layer_names
            .iter()
            .filter_map(|&name| self.layers.get(name))
            .collect();

        if matrices.is_empty() {
            warn!("No base matrices found for coverage calculation");
            return vec![0; self.n_obs];
        }

        // Sum matrices efficiently using nalgebra_sparse operations
        let total_matrix =
            matrices
                .into_iter()
                .fold(None, |acc: Option<CsrMatrix<u32>>, matrix| match acc {
                    None => Some(matrix.clone()),
                    Some(existing) => SparseOps::add_matrices(&existing, matrix)
                        .map_err(|e| warn!("Failed to add matrices: {}", e))
                        .ok()
                        .or(Some(existing)),
                });

        match total_matrix {
            Some(matrix) => SparseOps::compute_row_sums(&matrix),
            None => {
                warn!("Failed to compute total coverage matrix");
                vec![0; self.n_obs]
            }
        }
    }

    /// Validate matrix dimensions with flexible obs/var handling
    pub fn validate_dimensions(&self) -> Result<()> {
        // Check that obs_names length matches n_obs
        if self.obs_names.len() != self.n_obs {
            return Err(RedicatError::DimensionMismatch {
                expected: format!("obs_names length = {}", self.n_obs),
                actual: format!("obs_names length = {}", self.obs_names.len()),
            });
        }

        // Check that var_names length matches n_vars
        if self.var_names.len() != self.n_vars {
            return Err(RedicatError::DimensionMismatch {
                expected: format!("var_names length = {}", self.n_vars),
                actual: format!("var_names length = {}", self.var_names.len()),
            });
        }

        // For obs and var DataFrames, allow them to be empty or have different heights
        // as long as they can be reconstructed from the names
        if !self.obs.is_empty() && self.obs.height() != self.n_obs {
            warn!(
                "obs DataFrame height ({}) doesn't match n_obs ({}), will use obs_names",
                self.obs.height(),
                self.n_obs
            );
        }

        if !self.var.is_empty() && self.var.height() != self.n_vars {
            warn!(
                "var DataFrame height ({}) doesn't match n_vars ({}), will use var_names",
                self.var.height(),
                self.n_vars
            );
        }

        // Check X matrix dimensions if present
        if let Some(ref x_matrix) = self.x {
            if x_matrix.nrows() != self.n_obs || x_matrix.ncols() != self.n_vars {
                return Err(RedicatError::DimensionMismatch {
                    expected: format!("X matrix {}×{}", self.n_obs, self.n_vars),
                    actual: format!("X matrix {}×{}", x_matrix.nrows(), x_matrix.ncols()),
                });
            }
        }

        // Check layer dimensions
        for (layer_name, matrix) in &self.layers {
            if matrix.nrows() != self.n_obs || matrix.ncols() != self.n_vars {
                return Err(RedicatError::DimensionMismatch {
                    expected: format!("Layer '{}' {}×{}", layer_name, self.n_obs, self.n_vars),
                    actual: format!(
                        "Layer '{}' {}×{}",
                        layer_name,
                        matrix.nrows(),
                        matrix.ncols()
                    ),
                });
            }
        }

        Ok(())
    }

    /// Ensure obs and var DataFrames have correct dimensions
    pub fn fix_dataframe_dimensions(&mut self) -> Result<()> {
        // Fix obs DataFrame if needed
        if self.obs.is_empty() || self.obs.height() != self.n_obs {
            info!(
                "Reconstructing obs DataFrame with {} observations",
                self.n_obs
            );
            self.obs = DataFrame::new(vec![Series::new(
                "obs_names".into(),
                self.obs_names.clone(),
            )
            .into()])?;
        }

        // Fix var DataFrame if needed
        if self.var.is_empty() || self.var.height() != self.n_vars {
            info!(
                "Reconstructing var DataFrame with {} variables",
                self.n_vars
            );
            self.var = DataFrame::new(vec![Series::new(
                "var_names".into(),
                self.var_names.clone(),
            )
            .into()])?;
        }

        Ok(())
    }

    /// Get memory usage statistics
    pub fn get_memory_stats(&self) -> HashMap<String, usize> {
        let mut stats = HashMap::new();

        // Estimate obs DataFrame size
        stats.insert("obs_bytes".to_string(), estimate_dataframe_size(&self.obs));
        stats.insert("var_bytes".to_string(), estimate_dataframe_size(&self.var));

        // X matrix size
        if let Some(ref x_matrix) = self.x {
            stats.insert(
                "x_bytes".to_string(),
                estimate_csr_matrix_size_f64(x_matrix),
            );
        }

        // Layer sizes
        let mut total_layer_bytes = 0;
        for (layer_name, matrix) in &self.layers {
            let size = estimate_csr_matrix_size_u32(matrix);
            stats.insert(format!("layer_{}_bytes", layer_name), size);
            total_layer_bytes += size;
        }
        stats.insert("total_layer_bytes".to_string(), total_layer_bytes);

        stats
    }

    /// Optimize memory usage by removing empty layers
    pub fn optimize_memory(&mut self) {
        let mut layers_to_remove = Vec::new();

        for (layer_name, matrix) in &self.layers {
            if matrix.nnz() == 0 {
                layers_to_remove.push(layer_name.clone());
            }
        }

        for layer_name in layers_to_remove {
            info!("Removing empty layer: {}", layer_name);
            self.layers.remove(&layer_name);
        }
    }
}

/// Optimized AnnData writing with in-place dimension fixing (no clone)
pub fn write_anndata_h5ad(adata: &mut AnnDataContainer, path: &str) -> Result<()> {
    info!("Writing AnnData to: {}", path);

    // Fix dimensions in-place instead of cloning the entire container
    adata.fix_dataframe_dimensions()?;
    adata.validate_dimensions()?;

    // Log memory usage
    let stats = adata.get_memory_stats();
    info!(
        "Memory usage: obs={} KB, var={} KB, layers={} KB",
        stats.get("obs_bytes").unwrap_or(&0) / 1024,
        stats.get("var_bytes").unwrap_or(&0) / 1024,
        stats.get("total_layer_bytes").unwrap_or(&0) / 1024
    );

    let h5_adata = AnnData::<H5>::new(Path::new(path))?;

    // Set observation and variable indices
    let obs_index: DataFrameIndex = adata.obs_names.iter().cloned().collect();
    let var_index: DataFrameIndex = adata.var_names.iter().cloned().collect();
    h5_adata.set_obs_names(obs_index)?;
    h5_adata.set_var_names(var_index)?;

    // Set main matrix X with compression
    if let Some(ref x_matrix) = adata.x {
        let x_f32 = convert_f64_to_f32_csr(x_matrix)?;
        h5_adata.set_x(x_f32)?;
        info!(
            "  - Written X matrix: {}×{} with {} non-zeros",
            x_matrix.nrows(),
            x_matrix.ncols(),
            x_matrix.nnz()
        );
    } else {
        let zero_matrix = CsrMatrix::<f32>::zeros(adata.n_obs, adata.n_vars);
        h5_adata.set_x(zero_matrix)?;
        info!(
            "  - Written empty X matrix: {}×{}",
            adata.n_obs, adata.n_vars
        );
    }

    // Set layers with priority order for important layers
    let priority_layers = ["ref", "alt", "others", "coverage"];
    let mut written_layers = 0;

    // Write priority layers first
    for layer_name in &priority_layers {
        if let Some(layer_matrix) = adata.layers.get(*layer_name) {
            info!(
                "  - Writing layer: {} ({}×{}, {} non-zeros)",
                layer_name,
                layer_matrix.nrows(),
                layer_matrix.ncols(),
                layer_matrix.nnz()
            );
            let f32_matrix = convert_u32_to_f32_csr(layer_matrix)?;
            h5_adata.layers().add(layer_name, f32_matrix)?;
            written_layers += 1;
        }
    }

    // // Write remaining layers
    // for (layer_name, layer_matrix) in &adata.layers {
    //     if !priority_layers.contains(&layer_name.as_str()) {
    //         info!("  - Writing layer: {} ({}×{}, {} non-zeros)",
    //               layer_name, layer_matrix.nrows(), layer_matrix.ncols(), layer_matrix.nnz());
    //         let f32_matrix = convert_u32_to_f32_csr(layer_matrix)?;
    //         h5_adata.layers().add(layer_name, f32_matrix)?;
    //         written_layers += 1;
    //     }
    // }

    // Set annotations
    if !adata.obs.is_empty() {
        h5_adata.set_obs(adata.obs.clone())?;
        info!(
            "  - Written obs annotations: {} rows, {} columns",
            adata.obs.height(),
            adata.obs.width()
        );
    }

    if !adata.var.is_empty() {
        h5_adata.set_var(adata.var.clone())?;
        info!(
            "  - Written var annotations: {} rows, {} columns",
            adata.var.height(),
            adata.var.width()
        );
    }

    h5_adata.set_n_obs(adata.n_obs)?;
    h5_adata.set_n_vars(adata.n_vars)?;

    info!(
        "Successfully wrote AnnData with shape: {} × {}, {} layers",
        adata.n_obs, adata.n_vars, written_layers
    );
    Ok(())
}

/// Optimized AnnData reading with better error handling and dimension fixing
pub fn read_anndata_h5ad(path: &str) -> Result<AnnDataContainer> {
    info!("Reading H5AD file: {}", path);

    if !std::path::Path::new(path).exists() {
        return Err(RedicatError::FileNotFound(format!(
            "File not found: {}",
            path
        )));
    }

    let adata =
        AnnData::<H5>::open(H5::open(path).map_err(|e| {
            RedicatError::DataProcessing(format!("Failed to open H5 file: {:?}", e))
        })?)?;

    let n_obs = adata.n_obs();
    let n_vars = adata.n_vars();
    info!("AnnData shape: {} obs × {} vars", n_obs, n_vars);

    if n_obs == 0 || n_vars == 0 {
        return Err(RedicatError::EmptyData(format!(
            "Empty AnnData: {} obs × {} vars",
            n_obs, n_vars
        )));
    }

    let obs_names = read_names(&adata.obs_names())?;
    let var_names = read_names(&adata.var_names())?;

    // Validate that names match dimensions
    if obs_names.len() != n_obs {
        return Err(RedicatError::DimensionMismatch {
            expected: format!("obs_names length = {}", n_obs),
            actual: format!("obs_names length = {}", obs_names.len()),
        });
    }

    if var_names.len() != n_vars {
        return Err(RedicatError::DimensionMismatch {
            expected: format!("var_names length = {}", n_vars),
            actual: format!("var_names length = {}", var_names.len()),
        });
    }

    let obs = read_obs_dataframe(&adata, &obs_names, n_obs)?;
    let var = read_var_dataframe(&adata, &var_names, n_vars)?;
    let x = read_x_matrix(&adata)?;
    let layers = read_layers_as_u32(&adata)?;

    info!(
        "Successfully loaded AnnData with {} layers: {:?}",
        layers.len(),
        layers.keys().collect::<Vec<_>>()
    );

    let mut container = AnnDataContainer {
        obs,
        var,
        x,
        layers,
        n_obs,
        n_vars,
        var_names,
        obs_names,
        spilled_layers: HashMap::new(),
        spill_dir: None,
        memory_budget: None,
    };

    // Fix any dimension mismatches
    container.fix_dataframe_dimensions()?;

    // Validate the fixed data
    container.validate_dimensions()?;

    Ok(container)
}

// Helper functions with better error handling

fn read_names(index: &DataFrameIndex) -> Result<Vec<String>> {
    Ok(index.clone().into_vec())
}

fn read_obs_dataframe(
    adata: &AnnData<H5>,
    obs_names: &[String],
    n_obs: usize,
) -> Result<DataFrame> {
    match adata.read_obs() {
        Ok(obs_df) => {
            debug!(
                "Read obs DataFrame: {} rows, {} columns",
                obs_df.height(),
                obs_df.width()
            );
            if obs_df.height() == n_obs {
                Ok(obs_df)
            } else {
                warn!(
                    "obs DataFrame height ({}) doesn't match n_obs ({}), creating from names",
                    obs_df.height(),
                    n_obs
                );
                DataFrame::new(vec![
                    Series::new("obs_names".into(), obs_names.to_vec()).into()
                ])
                .map_err(|e| {
                    RedicatError::DataProcessing(format!("Failed to create obs DataFrame: {}", e))
                })
            }
        }
        Err(e) => {
            warn!("Failed to read obs DataFrame: {:?}, creating from names", e);
            DataFrame::new(vec![
                Series::new("obs_names".into(), obs_names.to_vec()).into()
            ])
            .map_err(|e| {
                RedicatError::DataProcessing(format!("Failed to create obs DataFrame: {}", e))
            })
        }
    }
}

fn read_var_dataframe(
    adata: &AnnData<H5>,
    var_names: &[String],
    n_vars: usize,
) -> Result<DataFrame> {
    match adata.read_var() {
        Ok(var_df) => {
            debug!(
                "Read var DataFrame: {} rows, {} columns",
                var_df.height(),
                var_df.width()
            );
            if var_df.height() == n_vars {
                Ok(var_df)
            } else {
                warn!(
                    "var DataFrame height ({}) doesn't match n_vars ({}), creating from names",
                    var_df.height(),
                    n_vars
                );
                DataFrame::new(vec![
                    Series::new("var_names".into(), var_names.to_vec()).into()
                ])
                .map_err(|e| {
                    RedicatError::DataProcessing(format!("Failed to create var DataFrame: {}", e))
                })
            }
        }
        Err(e) => {
            warn!("Failed to read var DataFrame: {:?}, creating from names", e);
            DataFrame::new(vec![
                Series::new("var_names".into(), var_names.to_vec()).into()
            ])
            .map_err(|e| {
                RedicatError::DataProcessing(format!("Failed to create var DataFrame: {}", e))
            })
        }
    }
}

fn read_x_matrix(adata: &AnnData<H5>) -> Result<Option<CsrMatrix<f64>>> {
    let mut x_elem = match adata.x().extract() {
        Some(elem) => elem,
        None => {
            debug!("No X matrix found");
            return Ok(None);
        }
    };

    let shape = x_elem.shape();
    if shape.ndim() == 0 || shape.as_ref().contains(&0) {
        debug!("Empty X matrix shape: {:?}", shape.as_ref());
        return Ok(None);
    }

    match x_elem.data() {
        Ok(array_data) => match convert_array_to_csr_f64(array_data) {
            Ok(matrix) => {
                info!(
                    "Read X matrix: {}×{} with {} non-zeros",
                    matrix.nrows(),
                    matrix.ncols(),
                    matrix.nnz()
                );
                Ok(Some(matrix))
            }
            Err(e) => {
                warn!("Failed to convert X matrix: {}", e);
                Ok(None)
            }
        },
        Err(e) => {
            warn!("Failed to extract X matrix data: {:?}", e);
            Ok(None)
        }
    }
}

// Fixed layer reading function
fn read_layers_as_u32(adata: &AnnData<H5>) -> Result<HashMap<String, CsrMatrix<u32>>> {
    let mut layers: HashMap<String, CsrMatrix<u32>> = HashMap::new();
    let layers_ref = adata.layers();

    // Common layer names to try
    let common_layer_names = vec![
        "A0", "T0", "G0", "C0", "A1", "T1", "G1", "C1", "ref", "alt", "others", "coverage",
    ];

    info!("Attempting to load common layers: {:?}", common_layer_names);

    for layer_name in common_layer_names {
        match layers_ref.get_item::<ArrayData>(layer_name) {
            Ok(Some(array_data)) => match convert_array_to_csr_u32(array_data) {
                Ok(matrix) => {
                    info!(
                        "  - Loaded layer '{}': {}×{} with {} non-zeros",
                        layer_name,
                        matrix.nrows(),
                        matrix.ncols(),
                        matrix.nnz()
                    );
                    layers.insert(layer_name.to_string(), matrix);
                }
                Err(e) => {
                    warn!("  - Failed to convert layer '{}': {}", layer_name, e);
                }
            },
            Ok(None) => {
                debug!("  - Layer '{}' not found (normal)", layer_name);
            }
            Err(_) => {
                debug!(
                    "  - Could not access layer '{}' (normal if it doesn't exist)",
                    layer_name
                );
            }
        }
    }

    info!("Successfully loaded {} layers", layers.len());
    Ok(layers)
}

// Conversion functions with better error handling

fn convert_f64_to_f32_csr(matrix: &CsrMatrix<f64>) -> Result<CsrMatrix<f32>> {
    let (row_offsets, col_indices, values) = matrix.csr_data();
    let values_f32: Vec<f32> = values.iter().map(|&x| x as f32).collect();

    CsrMatrix::try_from_csr_data(
        matrix.nrows(),
        matrix.ncols(),
        row_offsets.to_vec(),
        col_indices.to_vec(),
        values_f32,
    )
    .map_err(|e| RedicatError::DataProcessing(format!("Failed to convert f64 to f32: {:?}", e)))
}

fn convert_f32_to_f64_csr(matrix: &CsrMatrix<f32>) -> Result<CsrMatrix<f64>> {
    let (row_offsets, col_indices, values) = matrix.csr_data();
    let values_f64: Vec<f64> = values.iter().map(|&x| x as f64).collect();

    CsrMatrix::try_from_csr_data(
        matrix.nrows(),
        matrix.ncols(),
        row_offsets.to_vec(),
        col_indices.to_vec(),
        values_f64,
    )
    .map_err(|e| RedicatError::DataProcessing(format!("Failed to convert f32 to f64: {:?}", e)))
}

fn convert_u32_to_f32_csr(matrix: &CsrMatrix<u32>) -> Result<CsrMatrix<f32>> {
    let (row_offsets, col_indices, values) = matrix.csr_data();
    let values_f32: Vec<f32> = values.iter().map(|&x| x as f32).collect();

    CsrMatrix::try_from_csr_data(
        matrix.nrows(),
        matrix.ncols(),
        row_offsets.to_vec(),
        col_indices.to_vec(),
        values_f32,
    )
    .map_err(|e| RedicatError::DataProcessing(format!("Failed to convert u32 to f32: {:?}", e)))
}

fn convert_u32_to_f64_csr(matrix: &CsrMatrix<u32>) -> Result<CsrMatrix<f64>> {
    let (row_offsets, col_indices, values) = matrix.csr_data();
    let values_f64: Vec<f64> = values.iter().map(|&x| x as f64).collect();

    CsrMatrix::try_from_csr_data(
        matrix.nrows(),
        matrix.ncols(),
        row_offsets.to_vec(),
        col_indices.to_vec(),
        values_f64,
    )
    .map_err(|e| RedicatError::DataProcessing(format!("Failed to convert u32 to f64: {:?}", e)))
}

fn convert_array_to_csr_f64(array_data: ArrayData) -> Result<CsrMatrix<f64>> {
    if let Ok(matrix) = CsrMatrix::<f64>::try_from(array_data.clone()) {
        return Ok(matrix);
    }

    if let Ok(matrix_f32) = CsrMatrix::<f32>::try_from(array_data.clone()) {
        return convert_f32_to_f64_csr(&matrix_f32);
    }

    if let Ok(matrix_u32) = CsrMatrix::<u32>::try_from(array_data.clone()) {
        return convert_u32_to_f64_csr(&matrix_u32);
    }

    Err(RedicatError::DataProcessing(format!(
        "Unsupported array data type for X matrix: {:?}",
        array_data.data_type()
    )))
}

fn convert_array_to_csr_u32(array_data: ArrayData) -> Result<CsrMatrix<u32>> {
    if let Ok(matrix) = CsrMatrix::<u32>::try_from(array_data.clone()) {
        return Ok(matrix);
    }

    if let Ok(matrix_f32) = CsrMatrix::<f32>::try_from(array_data.clone()) {
        let (row_offsets, col_indices, values) = matrix_f32.csr_data();
        let values_u32: Vec<u32> = values.iter().map(|&x| x as u32).collect();
        return CsrMatrix::try_from_csr_data(
            matrix_f32.nrows(),
            matrix_f32.ncols(),
            row_offsets.to_vec(),
            col_indices.to_vec(),
            values_u32,
        )
        .map_err(|e| {
            RedicatError::DataProcessing(format!("Failed to convert f32 to u32: {:?}", e))
        });
    }

    if let Ok(matrix_f64) = CsrMatrix::<f64>::try_from(array_data.clone()) {
        let (row_offsets, col_indices, values) = matrix_f64.csr_data();
        let values_u32: Vec<u32> = values.iter().map(|&x| x as u32).collect();
        return CsrMatrix::try_from_csr_data(
            matrix_f64.nrows(),
            matrix_f64.ncols(),
            row_offsets.to_vec(),
            col_indices.to_vec(),
            values_u32,
        )
        .map_err(|e| {
            RedicatError::DataProcessing(format!("Failed to convert f64 to u32: {:?}", e))
        });
    }

    Err(RedicatError::DataProcessing(format!(
        "Unsupported array data type for layer: {:?}",
        array_data.data_type()
    )))
}

fn estimate_dataframe_size(df: &DataFrame) -> usize {
    df.get_columns()
        .iter()
        .map(|column| column.as_materialized_series().estimated_size())
        .sum()
}

fn estimate_csr_matrix_size_f64(matrix: &CsrMatrix<f64>) -> usize {
    let (row_offsets, col_indices, values) = matrix.csr_data();
    std::mem::size_of_val(row_offsets)
        + std::mem::size_of_val(col_indices)
        + std::mem::size_of_val(values)
}

fn estimate_csr_matrix_size_u32(matrix: &CsrMatrix<u32>) -> usize {
    let (row_offsets, col_indices, values) = matrix.csr_data();
    std::mem::size_of_val(row_offsets)
        + std::mem::size_of_val(col_indices)
        + std::mem::size_of_val(values)
}

/// Estimate total memory footprint in bytes for the AnnDataContainer
pub fn estimate_anndata_memory_usage(adata: &AnnDataContainer) -> usize {
    let mut total = 0;
    total += estimate_dataframe_size(&adata.obs);
    total += estimate_dataframe_size(&adata.var);
    if let Some(ref x) = adata.x {
        total += estimate_csr_matrix_size_f64(x);
    }
    for matrix in adata.layers.values() {
        total += estimate_csr_matrix_size_u32(matrix);
    }
    total
}

#[cfg(test)]
mod tests {
    use super::*;
    use crate::core::sparse::SparseOps;

    fn csr_u32(nrows: usize, ncols: usize, triplets: &[(usize, usize, u32)]) -> CsrMatrix<u32> {
        SparseOps::from_triplets_u32(nrows, ncols, triplets.to_vec()).unwrap()
    }

    // --- AnnDataContainer::new ---

    #[test]
    fn test_new_creates_correct_dimensions() {
        let adata = AnnDataContainer::new(10, 20);
        assert_eq!(adata.n_obs, 10);
        assert_eq!(adata.n_vars, 20);
        assert_eq!(adata.obs_names.len(), 10);
        assert_eq!(adata.var_names.len(), 20);
        assert!(adata.x.is_none());
        assert!(adata.layers.is_empty());
        assert_eq!(adata.obs.height(), 10);
        assert_eq!(adata.var.height(), 20);
    }

    #[test]
    fn test_new_zero_dimensions() {
        let adata = AnnDataContainer::new(0, 0);
        assert_eq!(adata.n_obs, 0);
        assert_eq!(adata.n_vars, 0);
        assert!(adata.obs_names.is_empty());
        assert!(adata.var_names.is_empty());
    }

    // --- validate_dimensions ---

    #[test]
    fn test_validate_dimensions_valid() {
        let adata = AnnDataContainer::new(5, 10);
        assert!(adata.validate_dimensions().is_ok());
    }

    #[test]
    fn test_validate_dimensions_obs_names_mismatch() {
        let mut adata = AnnDataContainer::new(5, 10);
        adata.obs_names.push("extra".to_string());
        assert!(adata.validate_dimensions().is_err());
    }

    #[test]
    fn test_validate_dimensions_var_names_mismatch() {
        let mut adata = AnnDataContainer::new(5, 10);
        adata.var_names.pop();
        assert!(adata.validate_dimensions().is_err());
    }

    #[test]
    fn test_validate_dimensions_x_matrix_wrong_shape() {
        let mut adata = AnnDataContainer::new(3, 4);
        adata.x = Some(CsrMatrix::<f64>::zeros(3, 5)); // wrong ncols
        assert!(adata.validate_dimensions().is_err());
    }

    #[test]
    fn test_validate_dimensions_layer_wrong_shape() {
        let mut adata = AnnDataContainer::new(3, 4);
        adata.layers.insert("bad".into(), CsrMatrix::<u32>::zeros(2, 4));
        assert!(adata.validate_dimensions().is_err());
    }

    // --- fix_dataframe_dimensions ---

    #[test]
    fn test_fix_dataframe_dimensions_rebuilds_when_empty() {
        let mut adata = AnnDataContainer::new(3, 2);
        adata.obs = DataFrame::default();
        adata.var = DataFrame::default();
        adata.fix_dataframe_dimensions().unwrap();
        assert_eq!(adata.obs.height(), 3);
        assert_eq!(adata.var.height(), 2);
    }

    #[test]
    fn test_fix_dataframe_dimensions_keeps_correct() {
        let mut adata = AnnDataContainer::new(2, 3);
        // Already correct — should be a no-op
        let obs_before = adata.obs.clone();
        adata.fix_dataframe_dimensions().unwrap();
        assert_eq!(adata.obs.height(), obs_before.height());
    }

    // --- compute_layer_row_sums / compute_layer_col_sums ---

    #[test]
    fn test_compute_layer_row_sums_existing_layer() {
        let mut adata = AnnDataContainer::new(3, 2);
        adata.layers.insert("A1".into(), csr_u32(3, 2, &[
            (0, 0, 1), (0, 1, 2), (1, 0, 3), (2, 1, 4),
        ]));
        let sums = adata.compute_layer_row_sums("A1").unwrap();
        assert_eq!(sums, vec![3, 3, 4]);
    }

    #[test]
    fn test_compute_layer_row_sums_missing_layer() {
        let adata = AnnDataContainer::new(2, 2);
        assert!(adata.compute_layer_row_sums("nonexistent").is_none());
    }

    #[test]
    fn test_compute_layer_col_sums_existing_layer() {
        let mut adata = AnnDataContainer::new(3, 2);
        adata.layers.insert("G1".into(), csr_u32(3, 2, &[
            (0, 0, 10), (1, 0, 20), (2, 1, 5),
        ]));
        let sums = adata.compute_layer_col_sums("G1").unwrap();
        assert_eq!(sums, vec![30, 5]);
    }

    #[test]
    fn test_compute_layer_col_sums_missing_layer() {
        let adata = AnnDataContainer::new(2, 2);
        assert!(adata.compute_layer_col_sums("nonexistent").is_none());
    }

    // --- compute_total_coverage ---

    #[test]
    fn test_compute_total_coverage_stranded() {
        let mut adata = AnnDataContainer::new(2, 2);
        adata.layers.insert("A0".into(), csr_u32(2, 2, &[(0, 0, 1)]));
        adata.layers.insert("A1".into(), csr_u32(2, 2, &[(0, 0, 2)]));
        adata.layers.insert("T0".into(), csr_u32(2, 2, &[(1, 1, 3)]));
        adata.layers.insert("T1".into(), csr_u32(2, 2, &[(1, 1, 4)]));
        let cov = adata.compute_total_coverage();
        assert_eq!(cov, vec![3, 7]);
    }

    #[test]
    fn test_compute_total_coverage_unstranded() {
        let mut adata = AnnDataContainer::new(2, 2);
        // No A0 key => unstranded path
        adata.layers.insert("A1".into(), csr_u32(2, 2, &[(0, 0, 5)]));
        adata.layers.insert("T1".into(), csr_u32(2, 2, &[(1, 1, 3)]));
        adata.layers.insert("G1".into(), CsrMatrix::<u32>::zeros(2, 2));
        adata.layers.insert("C1".into(), CsrMatrix::<u32>::zeros(2, 2));
        let cov = adata.compute_total_coverage();
        assert_eq!(cov, vec![5, 3]);
    }

    #[test]
    fn test_compute_total_coverage_no_layers() {
        let adata = AnnDataContainer::new(3, 2);
        let cov = adata.compute_total_coverage();
        assert_eq!(cov, vec![0, 0, 0]);
    }

    // --- get_memory_stats ---

    #[test]
    fn test_get_memory_stats_includes_all_components() {
        let mut adata = AnnDataContainer::new(2, 2);
        adata.layers.insert("ref".into(), csr_u32(2, 2, &[(0, 0, 1)]));
        adata.x = Some(CsrMatrix::<f64>::zeros(2, 2));
        let stats = adata.get_memory_stats();
        assert!(stats.contains_key("obs_bytes"));
        assert!(stats.contains_key("var_bytes"));
        assert!(stats.contains_key("x_bytes"));
        assert!(stats.contains_key("layer_ref_bytes"));
        assert!(stats.contains_key("total_layer_bytes"));
    }

    #[test]
    fn test_get_memory_stats_no_x() {
        let adata = AnnDataContainer::new(2, 2);
        let stats = adata.get_memory_stats();
        assert!(!stats.contains_key("x_bytes"));
    }

    // --- optimize_memory ---

    #[test]
    fn test_optimize_memory_removes_empty_layers() {
        let mut adata = AnnDataContainer::new(2, 2);
        adata.layers.insert("nonempty".into(), csr_u32(2, 2, &[(0, 0, 1)]));
        adata.layers.insert("empty".into(), CsrMatrix::<u32>::zeros(2, 2));
        assert_eq!(adata.layers.len(), 2);
        adata.optimize_memory();
        assert_eq!(adata.layers.len(), 1);
        assert!(adata.layers.contains_key("nonempty"));
    }

    #[test]
    fn test_optimize_memory_keeps_all_nonempty() {
        let mut adata = AnnDataContainer::new(2, 2);
        adata.layers.insert("a".into(), csr_u32(2, 2, &[(0, 0, 1)]));
        adata.layers.insert("b".into(), csr_u32(2, 2, &[(1, 1, 2)]));
        adata.optimize_memory();
        assert_eq!(adata.layers.len(), 2);
    }

    // --- estimate_anndata_memory_usage ---

    #[test]
    fn test_estimate_anndata_memory_usage_nonzero() {
        let mut adata = AnnDataContainer::new(5, 5);
        adata.layers.insert("A1".into(), csr_u32(5, 5, &[(0, 0, 1), (1, 1, 2)]));
        let usage = estimate_anndata_memory_usage(&adata);
        assert!(usage > 0);
    }

    // --- write_anndata_h5ad clones (regression marker) ---
    // This test documents that write_anndata_h5ad currently clones the container.
    // After optimization, this test should be updated to verify in-place behavior.

    #[test]
    fn test_write_creates_valid_file() {
        use tempfile::tempdir;
        let dir = tempdir().unwrap();
        let path = dir.path().join("test.h5ad");
        let mut adata = AnnDataContainer::new(2, 3);
        adata.layers.insert("ref".into(), csr_u32(2, 3, &[(0, 0, 1), (1, 2, 5)]));
        adata.layers.insert("alt".into(), csr_u32(2, 3, &[(0, 1, 3)]));
        adata.layers.insert("others".into(), CsrMatrix::<u32>::zeros(2, 3));
        adata.layers.insert("coverage".into(), csr_u32(2, 3, &[(0, 0, 10), (1, 2, 20)]));
        write_anndata_h5ad(&mut adata, path.to_str().unwrap()).unwrap();
        assert!(path.exists());

        // Verify we can read it back
        let loaded = read_anndata_h5ad(path.to_str().unwrap()).unwrap();
        assert_eq!(loaded.n_obs, 2);
        assert_eq!(loaded.n_vars, 3);
    }

    #[test]
    fn test_read_nonexistent_file_returns_error() {
        let result = read_anndata_h5ad("/tmp/definitely_not_exist_redicat_test.h5ad");
        assert!(result.is_err());
    }

    // --- conversion helpers ---

    #[test]
    fn test_convert_f64_to_f32_roundtrip() {
        let m = CsrMatrix::try_from_csr_data(
            2, 2, vec![0, 1, 2], vec![0, 1], vec![1.5_f64, 2.5_f64],
        ).unwrap();
        let f32_m = convert_f64_to_f32_csr(&m).unwrap();
        assert_eq!(f32_m.nrows(), 2);
        assert_eq!(f32_m.ncols(), 2);
        assert!((f32_m.csr_data().2[0] - 1.5f32).abs() < 1e-6);
    }

    #[test]
    fn test_convert_u32_to_f32_preserves_values() {
        let m = csr_u32(2, 2, &[(0, 0, 100), (1, 1, 200)]);
        let f32_m = convert_u32_to_f32_csr(&m).unwrap();
        assert_eq!(f32_m.csr_data().2[0] as u32, 100);
        assert_eq!(f32_m.csr_data().2[1] as u32, 200);
    }
}