diff --git a/src/obicompactvec/Cargo.toml b/src/obicompactvec/Cargo.toml index dc4527a..ddb1e40 100644 --- a/src/obicompactvec/Cargo.toml +++ b/src/obicompactvec/Cargo.toml @@ -4,7 +4,7 @@ version = "0.1.0" edition = "2024" [dependencies] -memmap2 = "0.9" +memmap2 = "0.9" ndarray = "0.16" rayon = "1" diff --git a/src/obicompactvec/src/bitmatrix.rs b/src/obicompactvec/src/bitmatrix.rs index ffa42d5..ead53af 100644 --- a/src/obicompactvec/src/bitmatrix.rs +++ b/src/obicompactvec/src/bitmatrix.rs @@ -1,22 +1,29 @@ -use std::{fs, io, path::{Path, PathBuf}}; +use std::fs::{self, File}; +use std::io::{self, Write as _}; +use std::path::{Path, PathBuf}; +use memmap2::Mmap; use ndarray::{Array1, Array2}; use rayon::prelude::*; use crate::bitvec::{PersistentBitVec, PersistentBitVecBuilder}; +use crate::layer_meta::LayerMeta; use crate::meta::MatrixMeta; fn col_path(dir: &Path, col: usize) -> PathBuf { dir.join(format!("col_{col:06}.pbiv")) } -pub struct PersistentBitMatrix { +// ── ColumnarBitMatrix ───────────────────────────────────────────────────────── + +/// Per-column file layout (original format). +pub struct ColumnarBitMatrix { cols: Vec, n: usize, } -impl PersistentBitMatrix { - pub fn open(dir: &Path) -> io::Result { +impl ColumnarBitMatrix { + pub(crate) fn open(dir: &Path) -> io::Result { let meta = MatrixMeta::load(dir)?; let cols = (0..meta.n_cols) .map(|c| PersistentBitVec::open(&col_path(dir, c))) @@ -24,24 +31,21 @@ impl PersistentBitMatrix { Ok(Self { cols, n: meta.n }) } - pub fn n(&self) -> usize { self.n } - pub fn n_cols(&self) -> usize { self.cols.len() } - pub fn col(&self, c: usize) -> &PersistentBitVec { &self.cols[c] } + pub(crate) fn n(&self) -> usize { self.n } + pub(crate) fn n_cols(&self) -> usize { self.cols.len() } + pub(crate) fn col(&self, c: usize) -> &PersistentBitVec { &self.cols[c] } - pub fn row(&self, slot: usize) -> Box<[bool]> { + pub(crate) fn row(&self, slot: usize) -> Box<[bool]> { self.cols.iter().map(|c| c.get(slot)).collect() } - /// Fill `buf[i]` with `col_i[slot]` as 0/1 u32, without allocating. - /// `buf` must have length ≥ `self.n_cols()`. - pub fn fill_row(&self, slot: usize, buf: &mut [u32]) { + pub(crate) fn fill_row(&self, slot: usize, buf: &mut [u32]) { for (c, col) in self.cols.iter().enumerate() { buf[c] = col.get(slot) as u32; } } - /// Returns the number of set bits in each column as `Array1`. - pub fn count_ones(&self) -> Array1 { + pub(crate) fn count_ones(&self) -> Array1 { let counts: Vec = (0..self.n_cols()) .into_par_iter() .map(|c| self.col(c).count_ones()) @@ -49,21 +53,15 @@ impl PersistentBitMatrix { Array1::from_vec(counts) } - // ── Distance matrices ───────────────────────────────────────────────────── - - pub fn jaccard_dist_matrix(&self) -> Array2 { + pub(crate) fn jaccard_dist_matrix(&self) -> Array2 { self.pairwise_f64(|i, j| self.col(i).jaccard_dist(self.col(j))) } - pub fn hamming_dist_matrix(&self) -> Array2 { + pub(crate) fn hamming_dist_matrix(&self) -> Array2 { self.pairwise_u64(|i, j| self.col(i).hamming_dist(self.col(j))) } - // ── Partial matrices (additively decomposable across layers) ────────────── - - /// Returns `(inter[n×n], union[n×n])`. - /// Reduce across layers by element-wise addition before computing `1 - inter/union`. - pub fn partial_jaccard_dist_matrix(&self) -> (Array2, Array2) { + pub(crate) fn partial_jaccard_dist_matrix(&self) -> (Array2, Array2) { let n = self.n_cols(); let results: Vec<(usize, usize, u64, u64)> = upper_pairs(n) .into_par_iter() @@ -72,7 +70,6 @@ impl PersistentBitMatrix { (i, j, inter, union) }) .collect(); - let mut inter_m = Array2::zeros((n, n)); let mut union_m = Array2::zeros((n, n)); for (i, j, inter, union) in results { @@ -82,14 +79,10 @@ impl PersistentBitMatrix { (inter_m, union_m) } - /// Returns `hamming[n×n]` (number of differing bits per pair). - /// Additive across layers — reduce by element-wise addition. - pub fn partial_hamming_dist_matrix(&self) -> Array2 { + pub(crate) fn partial_hamming_dist_matrix(&self) -> Array2 { self.pairwise_u64(|i, j| self.col(i).hamming_dist(self.col(j))) } - // ── Private helpers ─────────────────────────────────────────────────────── - fn pairwise_f64(&self, f: impl Fn(usize, usize) -> f64 + Sync) -> Array2 { let n = self.n_cols(); let results: Vec<(usize, usize, f64)> = upper_pairs(n) @@ -107,17 +100,8 @@ impl PersistentBitMatrix { .collect(); fill_symmetric(n, results.into_iter().map(|(i, j, v)| (i, j, v, v))) } -} -// ── Column append ───────────────────────────────────────────────────────────── - -impl PersistentBitMatrix { - /// Append a new column to an existing matrix on disk. - /// - /// Reads `meta.json` to obtain `n` and the current column count, writes - /// `col_{n_cols:06}.pbiv` filled by `value_of(slot)`, then increments - /// `n_cols` in `meta.json`. - pub fn append_column(dir: &Path, value_of: impl Fn(usize) -> bool) -> io::Result<()> { + pub(crate) fn append_column(dir: &Path, value_of: impl Fn(usize) -> bool) -> io::Result<()> { let mut meta = MatrixMeta::load(dir)?; let mut b = PersistentBitVecBuilder::new(meta.n, &col_path(dir, meta.n_cols))?; for slot in 0..meta.n { @@ -129,20 +113,208 @@ impl PersistentBitMatrix { } } -fn upper_pairs(n: usize) -> Vec<(usize, usize)> { - (0..n).flat_map(|i| (i + 1..n).map(move |j| (i, j))).collect() +// ── PackedBitMatrix ─────────────────────────────────────────────────────────── + +const PBMX_MAGIC: [u8; 4] = *b"PBMX"; +const PBMX_HEADER: usize = 24; // magic(4) + pad(4) + n_rows(8) + n_cols(8) +const PBIV_HEADER: usize = 16; // magic(4) + pad(4) + n(8) + +/// Single-file packed layout: all columns concatenated behind a header. +pub struct PackedBitMatrix { + mmap: Mmap, + n_rows: usize, + n_cols: usize, + /// Absolute byte offset to the start of each column's bit data + /// (= file offset of the PBIV blob + PBIV_HEADER). + data_offsets: Vec, } -fn fill_symmetric(n: usize, vals: impl Iterator) -> Array2 -where - T: Clone + Default, -{ - let mut m = Array2::from_elem((n, n), T::default()); - for (i, j, vij, vji) in vals { - m[[i, j]] = vij; - m[[j, i]] = vji; +impl PackedBitMatrix { + pub(crate) fn open(path: &Path) -> io::Result { + let mmap = unsafe { Mmap::map(&File::open(path)?)? }; + if mmap.len() < PBMX_HEADER { + return Err(io::Error::new(io::ErrorKind::InvalidData, "PBMX file too short")); + } + if &mmap[0..4] != &PBMX_MAGIC { + return Err(io::Error::new(io::ErrorKind::InvalidData, "bad PBMX magic")); + } + let n_rows = u64::from_le_bytes(mmap[8..16].try_into().unwrap()) as usize; + let n_cols = u64::from_le_bytes(mmap[16..24].try_into().unwrap()) as usize; + + let mut data_offsets = Vec::with_capacity(n_cols); + for c in 0..n_cols { + let off_pos = PBMX_HEADER + c * 8; + let col_file_off = u64::from_le_bytes(mmap[off_pos..off_pos+8].try_into().unwrap()) as usize; + data_offsets.push(col_file_off + PBIV_HEADER); + } + + Ok(Self { mmap, n_rows, n_cols, data_offsets }) + } + + #[inline] + pub(crate) fn fill_row(&self, slot: usize, buf: &mut [u32]) { + for (c, &data_off) in self.data_offsets.iter().enumerate() { + buf[c] = ((self.mmap[data_off + (slot >> 3)] >> (slot & 7)) & 1) as u32; + } + } + + pub(crate) fn row(&self, slot: usize) -> Box<[bool]> { + (0..self.n_cols).map(|c| { + (self.mmap[self.data_offsets[c] + (slot >> 3)] >> (slot & 7)) & 1 != 0 + }).collect() + } +} + +/// Build `presence/matrix.pbmx` from existing `col_*.pbiv` files. +pub fn pack_bit_matrix(dir: &Path) -> io::Result<()> { + let meta = MatrixMeta::load(dir)?; + let n_cols = meta.n_cols; + + let col_files: Vec> = (0..n_cols) + .map(|c| fs::read(col_path(dir, c))) + .collect::>()?; + + let header_size = PBMX_HEADER + n_cols * 8; + let mut col_offset = header_size; + let mut offsets = Vec::with_capacity(n_cols); + for data in &col_files { + offsets.push(col_offset as u64); + col_offset += data.len(); + } + + let packed_path = dir.join("matrix.pbmx"); + let mut file = File::create(&packed_path)?; + file.write_all(&PBMX_MAGIC)?; + file.write_all(&[0u8; 4])?; + file.write_all(&(meta.n as u64).to_le_bytes())?; + file.write_all(&(n_cols as u64).to_le_bytes())?; + for &off in &offsets { file.write_all(&off.to_le_bytes())?; } + for data in &col_files { file.write_all(data)?; } + Ok(()) +} + +// ── PersistentBitMatrix — public enum ──────────────────────────────────────── + +/// Bit matrix that transparently handles columnar, packed, and implicit formats. +/// +/// - `Columnar`: per-column `.pbiv` files (original format, used during build) +/// - `Packed`: single `matrix.pbmx` file (optimised for query — one `mmap`) +/// - `Implicit`: no file — all values are 1 (mono-genome presence/absence) +pub enum PersistentBitMatrix { + Columnar(ColumnarBitMatrix), + Packed(PackedBitMatrix), + Implicit { n_rows: usize, n_cols: usize }, +} + +impl PersistentBitMatrix { + /// Open from `layer_dir`, auto-detecting the format. + /// + /// Checks (in order): + /// 1. `layer_dir/presence/matrix.pbmx` → Packed + /// 2. `layer_dir/presence/meta.json` → Columnar + /// 3. `layer_dir/layer_meta.json` → Implicit (new index) + /// 4. `layer_dir/unitigs.bin` → Implicit with warning (old index) + pub fn open(layer_dir: &Path) -> io::Result { + let presence_dir = layer_dir.join("presence"); + + if presence_dir.join("matrix.pbmx").exists() { + return Ok(Self::Packed(PackedBitMatrix::open(&presence_dir.join("matrix.pbmx"))?)); + } + + if MatrixMeta::load(&presence_dir).is_ok() { + return Ok(Self::Columnar(ColumnarBitMatrix::open(&presence_dir)?)); + } + + // No presence matrix → Implicit; requires layer_meta.json + let meta = LayerMeta::load(layer_dir).map_err(|_| io::Error::new( + io::ErrorKind::NotFound, + format!( + "no presence matrix and no layer_meta.json in {} — run 'obikmer upgrade'", + layer_dir.display() + ), + ))?; + Ok(Self::Implicit { n_rows: meta.n, n_cols: 1 }) + } + + pub fn n(&self) -> usize { + match self { + Self::Columnar(m) => m.n(), + Self::Packed(m) => m.n_rows, + Self::Implicit { n_rows, .. } => *n_rows, + } + } + + pub fn n_cols(&self) -> usize { + match self { + Self::Columnar(m) => m.n_cols(), + Self::Packed(m) => m.n_cols, + Self::Implicit { n_cols, .. } => *n_cols, + } + } + + pub fn col(&self, c: usize) -> &PersistentBitVec { + match self { + Self::Columnar(m) => m.col(c), + _ => panic!("col() only available on Columnar PersistentBitMatrix"), + } + } + + pub fn row(&self, slot: usize) -> Box<[bool]> { + match self { + Self::Columnar(m) => m.row(slot), + Self::Packed(m) => m.row(slot), + Self::Implicit { n_cols, .. } => vec![true; *n_cols].into_boxed_slice(), + } + } + + /// Fill `buf[i]` with `col_i[slot]` as 0/1 u32, without allocating. + pub fn fill_row(&self, slot: usize, buf: &mut [u32]) { + match self { + Self::Columnar(m) => m.fill_row(slot, buf), + Self::Packed(m) => m.fill_row(slot, buf), + Self::Implicit { n_cols, .. } => buf[..*n_cols].fill(1), + } + } + + pub fn count_ones(&self) -> Array1 { + match self { + Self::Columnar(m) => m.count_ones(), + _ => panic!("count_ones() only available on Columnar PersistentBitMatrix"), + } + } + + pub fn jaccard_dist_matrix(&self) -> Array2 { + match self { + Self::Columnar(m) => m.jaccard_dist_matrix(), + _ => panic!("jaccard_dist_matrix() only available on Columnar PersistentBitMatrix"), + } + } + + pub fn hamming_dist_matrix(&self) -> Array2 { + match self { + Self::Columnar(m) => m.hamming_dist_matrix(), + _ => panic!("hamming_dist_matrix() only available on Columnar PersistentBitMatrix"), + } + } + + pub fn partial_jaccard_dist_matrix(&self) -> (Array2, Array2) { + match self { + Self::Columnar(m) => m.partial_jaccard_dist_matrix(), + _ => panic!("partial_jaccard_dist_matrix() only available on Columnar PersistentBitMatrix"), + } + } + + pub fn partial_hamming_dist_matrix(&self) -> Array2 { + match self { + Self::Columnar(m) => m.partial_hamming_dist_matrix(), + _ => panic!("partial_hamming_dist_matrix() only available on Columnar PersistentBitMatrix"), + } + } + + /// Append a new column to an on-disk Columnar matrix. + pub fn append_column(dir: &Path, value_of: impl Fn(usize) -> bool) -> io::Result<()> { + ColumnarBitMatrix::append_column(dir, value_of) } - m } // ── Trait impls ─────────────────────────────────────────────────────────────── @@ -162,7 +334,7 @@ impl BitPartials for PersistentBitMatrix { } } -// ── Builder ─────────────────────────────────────────────────────────────────── +// ── Builder (unchanged — always builds Columnar) ────────────────────────────── pub struct PersistentBitMatrixBuilder { dir: PathBuf, @@ -189,3 +361,16 @@ impl PersistentBitMatrixBuilder { MatrixMeta { n: self.n, n_cols: self.n_cols }.save(&self.dir) } } + +// ── Helpers ─────────────────────────────────────────────────────────────────── + +fn upper_pairs(n: usize) -> Vec<(usize, usize)> { + (0..n).flat_map(|i| (i + 1..n).map(move |j| (i, j))).collect() +} + +fn fill_symmetric(n: usize, vals: impl Iterator) -> Array2 +where T: Clone + Default { + let mut m = Array2::from_elem((n, n), T::default()); + for (i, j, vij, vji) in vals { m[[i, j]] = vij; m[[j, i]] = vji; } + m +} diff --git a/src/obicompactvec/src/intmatrix.rs b/src/obicompactvec/src/intmatrix.rs index 794d396..5fa1cc4 100644 --- a/src/obicompactvec/src/intmatrix.rs +++ b/src/obicompactvec/src/intmatrix.rs @@ -1,9 +1,14 @@ -use std::{fs, io, path::{Path, PathBuf}}; +use std::cmp::Ordering; +use std::fs::{self, File}; +use std::io::{self, Write as _}; +use std::path::{Path, PathBuf}; +use memmap2::Mmap; use ndarray::{Array1, Array2}; use rayon::prelude::*; use crate::builder::PersistentCompactIntVecBuilder; +use crate::format::{HEADER_SIZE, INDEX_ENTRY_SIZE, OVERFLOW_ENTRY_SIZE}; use crate::meta::MatrixMeta; use crate::reader::PersistentCompactIntVec; @@ -11,13 +16,15 @@ fn col_path(dir: &Path, col: usize) -> PathBuf { dir.join(format!("col_{col:06}.pciv")) } -pub struct PersistentCompactIntMatrix { +// ── ColumnarCompactIntMatrix ────────────────────────────────────────────────── + +pub struct ColumnarCompactIntMatrix { cols: Vec, n: usize, } -impl PersistentCompactIntMatrix { - pub fn open(dir: &Path) -> io::Result { +impl ColumnarCompactIntMatrix { + pub(crate) fn open(dir: &Path) -> io::Result { let meta = MatrixMeta::load(dir)?; let cols = (0..meta.n_cols) .map(|c| PersistentCompactIntVec::open(&col_path(dir, c))) @@ -25,25 +32,29 @@ impl PersistentCompactIntMatrix { Ok(Self { cols, n: meta.n }) } - pub fn n(&self) -> usize { self.n } - pub fn n_cols(&self) -> usize { self.cols.len() } - pub fn col(&self, c: usize) -> &PersistentCompactIntVec { &self.cols[c] } + pub(crate) fn n(&self) -> usize { self.n } + pub(crate) fn n_cols(&self) -> usize { self.cols.len() } + pub(crate) fn col(&self, c: usize) -> &PersistentCompactIntVec { &self.cols[c] } - pub fn row(&self, slot: usize) -> Box<[u32]> { + pub(crate) fn row(&self, slot: usize) -> Box<[u32]> { self.cols.iter().map(|c| c.get(slot)).collect() } - /// Fill `buf[i]` with `col_i[slot]`, without allocating. - /// `buf` must have length ≥ `self.n_cols()`. - pub fn fill_row(&self, slot: usize, buf: &mut [u32]) { + pub(crate) fn fill_row(&self, slot: usize, buf: &mut [u32]) { for (c, col) in self.cols.iter().enumerate() { buf[c] = col.get(slot); } } - // ── Distance matrices ───────────────────────────────────────────────────── + pub(crate) fn sum(&self) -> Array1 { + let sums: Vec = (0..self.n_cols()) + .into_par_iter() + .map(|c| self.col(c).sum()) + .collect(); + Array1::from_vec(sums) + } - pub fn bray_dist_matrix(&self) -> Array2 { + pub(crate) fn bray_dist_matrix(&self) -> Array2 { let sum_min = self.partial_bray_dist_matrix(); let col_sums = self.sum(); let n = self.n_cols(); @@ -60,63 +71,19 @@ impl PersistentCompactIntMatrix { m } - pub fn relfreq_bray_dist_matrix(&self) -> Array2 { - self.pairwise(|i, j| self.col(i).relfreq_bray_dist(self.col(j))) - } - - pub fn euclidean_dist_matrix(&self) -> Array2 { - self.pairwise(|i, j| self.col(i).euclidean_dist(self.col(j))) - } - - pub fn relfreq_euclidean_dist_matrix(&self) -> Array2 { - self.pairwise(|i, j| self.col(i).relfreq_euclidean_dist(self.col(j))) - } - - pub fn hellinger_dist_matrix(&self) -> Array2 { - self.pairwise(|i, j| self.col(i).hellinger_dist(self.col(j))) - } - - pub fn jaccard_dist_matrix(&self) -> Array2 { - self.pairwise(|i, j| self.col(i).jaccard_dist(self.col(j))) - } - - pub fn threshold_jaccard_dist_matrix(&self, threshold: u32) -> Array2 { - self.pairwise(|i, j| self.col(i).threshold_jaccard_dist(self.col(j), threshold)) - } - - /// Returns the sum of each column as `Array1`. - pub fn sum(&self) -> Array1 { - let sums: Vec = (0..self.n_cols()) - .into_par_iter() - .map(|c| self.col(c).sum()) - .collect(); - Array1::from_vec(sums) - } - - // ── Partial matrices (additively decomposable across layers) ────────────── - - /// Returns `sum_min[n×n]` where `sum_min[i,j]` = Σ_slot min(col_i[slot], col_j[slot]). - /// The denominator `col_sums[i] + col_sums[j]` is obtained from `self.sum()`. - /// Additive across layers by element-wise addition. - pub fn partial_bray_dist_matrix(&self) -> Array2 { + pub(crate) fn partial_bray_dist_matrix(&self) -> Array2 { self.pairwise_u64(|i, j| self.col(i).partial_bray_dist(self.col(j))) } - /// Returns sum of squared differences `[n×n]`. - /// Reduce across layers by element-wise addition, then take `sqrt` for the final distance. - pub fn partial_euclidean_dist_matrix(&self) -> Array2 { + pub(crate) fn partial_euclidean_dist_matrix(&self) -> Array2 { self.pairwise(|i, j| self.col(i).partial_euclidean_dist(self.col(j))) } - /// Returns `(inter[n×n], union[n×n])` for threshold-Jaccard. - /// Reduce across layers by element-wise addition before computing `1 - inter/union`. - pub fn partial_threshold_jaccard_dist_matrix( - &self, - threshold: u32, + pub(crate) fn partial_threshold_jaccard_dist_matrix( + &self, threshold: u32, ) -> (Array2, Array2) { let n = self.n_cols(); let pairs = upper_pairs(n); - let results: Vec<(usize, usize, u64, u64)> = pairs .into_par_iter() .map(|(i, j)| { @@ -125,7 +92,6 @@ impl PersistentCompactIntMatrix { (i, j, inter, union) }) .collect(); - let mut inter_m = Array2::zeros((n, n)); let mut union_m = Array2::zeros((n, n)); for (i, j, inter, union) in results { @@ -135,99 +101,299 @@ impl PersistentCompactIntMatrix { (inter_m, union_m) } - /// Returns matrix of `Σ_slot min(col_i[slot]/sum_i, col_j[slot]/sum_j)` per pair. - /// `col_sums` must be the GLOBAL sums across all layers/partitions. - /// Reduce across layers by element-wise addition; final distance = `1 - value`. - pub fn partial_relfreq_bray_dist_matrix(&self, col_sums: &Array1) -> Array2 { + pub(crate) fn partial_relfreq_bray_dist_matrix(&self, col_sums: &Array1) -> Array2 { self.pairwise(|i, j| { - self.col(i).partial_relfreq_bray_dist( - self.col(j), - col_sums[i] as f64, - col_sums[j] as f64, - ) + self.col(i).partial_relfreq_bray_dist(self.col(j), col_sums[i] as f64, col_sums[j] as f64) }) } - /// Returns matrix of `Σ_slot (col_i[slot]/sum_i - col_j[slot]/sum_j)²` per pair. - /// `col_sums` must be the GLOBAL sums across all layers/partitions. - /// Reduce across layers by element-wise addition; final distance = `sqrt(value)`. - pub fn partial_relfreq_euclidean_dist_matrix(&self, col_sums: &Array1) -> Array2 { + pub(crate) fn partial_relfreq_euclidean_dist_matrix(&self, col_sums: &Array1) -> Array2 { self.pairwise(|i, j| { - self.col(i).partial_relfreq_euclidean_dist( - self.col(j), - col_sums[i] as f64, - col_sums[j] as f64, - ) + self.col(i).partial_relfreq_euclidean_dist(self.col(j), col_sums[i] as f64, col_sums[j] as f64) }) } - /// Returns matrix of `Σ_slot (√(col_i/sum_i) - √(col_j/sum_j))²` per pair. - /// `col_sums` must be the GLOBAL sums across all layers/partitions. - /// Reduce across layers by element-wise addition; final distance = `sqrt(value) / √2`. - pub fn partial_hellinger_euclidean_dist_matrix(&self, col_sums: &Array1) -> Array2 { + pub(crate) fn partial_hellinger_euclidean_dist_matrix(&self, col_sums: &Array1) -> Array2 { self.pairwise(|i, j| { - self.col(i).partial_hellinger_euclidean_dist( - self.col(j), - col_sums[i] as f64, - col_sums[j] as f64, - ) + self.col(i).partial_hellinger_euclidean_dist(self.col(j), col_sums[i] as f64, col_sums[j] as f64) }) } - // ── Private helpers ─────────────────────────────────────────────────────── + pub(crate) fn relfreq_bray_dist_matrix(&self) -> Array2 { + self.pairwise(|i, j| self.col(i).relfreq_bray_dist(self.col(j))) + } + + pub(crate) fn euclidean_dist_matrix(&self) -> Array2 { + self.pairwise(|i, j| self.col(i).euclidean_dist(self.col(j))) + } + + pub(crate) fn relfreq_euclidean_dist_matrix(&self) -> Array2 { + self.pairwise(|i, j| self.col(i).relfreq_euclidean_dist(self.col(j))) + } + + pub(crate) fn hellinger_dist_matrix(&self) -> Array2 { + self.pairwise(|i, j| self.col(i).hellinger_dist(self.col(j))) + } + + pub(crate) fn jaccard_dist_matrix(&self) -> Array2 { + self.pairwise(|i, j| self.col(i).jaccard_dist(self.col(j))) + } + + pub(crate) fn threshold_jaccard_dist_matrix(&self, threshold: u32) -> Array2 { + self.pairwise(|i, j| self.col(i).threshold_jaccard_dist(self.col(j), threshold)) + } + + pub(crate) fn append_column(dir: &Path, value_of: impl Fn(usize) -> u32) -> io::Result<()> { + let mut meta = MatrixMeta::load(dir)?; + let mut b = PersistentCompactIntVecBuilder::new(meta.n, &col_path(dir, meta.n_cols))?; + for slot in 0..meta.n { b.set(slot, value_of(slot)); } + b.close()?; + meta.n_cols += 1; + meta.save(dir) + } fn pairwise(&self, f: impl Fn(usize, usize) -> f64 + Sync) -> Array2 { let n = self.n_cols(); let results: Vec<(usize, usize, f64)> = upper_pairs(n) - .into_par_iter() - .map(|(i, j)| (i, j, f(i, j))) - .collect(); + .into_par_iter().map(|(i, j)| (i, j, f(i, j))).collect(); fill_symmetric(n, results.into_iter().map(|(i, j, v)| (i, j, v, v))) } fn pairwise_u64(&self, f: impl Fn(usize, usize) -> u64 + Sync) -> Array2 { let n = self.n_cols(); let results: Vec<(usize, usize, u64)> = upper_pairs(n) - .into_par_iter() - .map(|(i, j)| (i, j, f(i, j))) - .collect(); + .into_par_iter().map(|(i, j)| (i, j, f(i, j))).collect(); fill_symmetric(n, results.into_iter().map(|(i, j, v)| (i, j, v, v))) } } -fn upper_pairs(n: usize) -> Vec<(usize, usize)> { - (0..n).flat_map(|i| (i + 1..n).map(move |j| (i, j))).collect() +// ── PackedCompactIntMatrix ──────────────────────────────────────────────────── + +const PCMX_MAGIC: [u8; 4] = *b"PCMX"; +const PCMX_HEADER: usize = 24; // magic(4) + pad(4) + n_rows(8) + n_cols(8) + +/// Per-column metadata pre-parsed from the embedded PCIV header. +struct ColInfo { + primary_start: usize, // absolute mmap offset to primary array + data_offset: usize, // absolute mmap offset to overflow array + n_overflow: usize, + step: usize, + index: Vec<(usize, usize)>, } -fn fill_symmetric(n: usize, vals: impl Iterator) -> Array2 -where - T: Clone + Default, -{ - let mut m = Array2::from_elem((n, n), T::default()); - for (i, j, vij, vji) in vals { - m[[i, j]] = vij; - m[[j, i]] = vji; +pub struct PackedCompactIntMatrix { + mmap: Mmap, + n_rows: usize, + n_cols: usize, + columns: Vec, +} + +impl PackedCompactIntMatrix { + pub(crate) fn open(path: &Path) -> io::Result { + let mmap = unsafe { Mmap::map(&File::open(path)?)? }; + if mmap.len() < PCMX_HEADER { + return Err(io::Error::new(io::ErrorKind::InvalidData, "PCMX file too short")); + } + if &mmap[0..4] != &PCMX_MAGIC { + return Err(io::Error::new(io::ErrorKind::InvalidData, "bad PCMX magic")); + } + let n_rows = u64::from_le_bytes(mmap[8..16].try_into().unwrap()) as usize; + let n_cols = u64::from_le_bytes(mmap[16..24].try_into().unwrap()) as usize; + + let mut columns = Vec::with_capacity(n_cols); + for c in 0..n_cols { + let off_pos = PCMX_HEADER + c * 8; + let col_base = u64::from_le_bytes(mmap[off_pos..off_pos+8].try_into().unwrap()) as usize; + // Parse embedded PCIV header at col_base + let n_ov = u64::from_le_bytes(mmap[col_base+16..col_base+24].try_into().unwrap()) as usize; + let n_idx = u64::from_le_bytes(mmap[col_base+24..col_base+32].try_into().unwrap()) as usize; + let step = u64::from_le_bytes(mmap[col_base+32..col_base+40].try_into().unwrap()) as usize; + let n_pciv = u64::from_le_bytes(mmap[col_base+8..col_base+16].try_into().unwrap()) as usize; + + let primary_start = col_base + HEADER_SIZE; + let data_offset = primary_start + n_pciv; + let index_offset = data_offset + n_ov * OVERFLOW_ENTRY_SIZE; + + let mut index = Vec::with_capacity(n_idx); + for i in 0..n_idx { + let ioff = index_offset + i * INDEX_ENTRY_SIZE; + let slot = u64::from_le_bytes(mmap[ioff..ioff+8].try_into().unwrap()) as usize; + let pos = u64::from_le_bytes(mmap[ioff+8..ioff+16].try_into().unwrap()) as usize; + index.push((slot, pos)); + } + columns.push(ColInfo { primary_start, data_offset, n_overflow: n_ov, step, index }); + } + + Ok(Self { mmap, n_rows, n_cols, columns }) + } + + #[inline] + pub(crate) fn get(&self, col: usize, slot: usize) -> u32 { + let ci = &self.columns[col]; + let v = self.mmap[ci.primary_start + slot]; + if v < 255 { return v as u32; } + self.overflow_get(ci, slot) + } + + fn overflow_get(&self, ci: &ColInfo, slot: usize) -> u32 { + let (pos_start, pos_end) = if ci.step == 0 { + (0, ci.n_overflow) + } else { + let i = ci.index.partition_point(|&(s, _)| s <= slot).saturating_sub(1); + let start = ci.index[i].1; + let end = if i + 1 < ci.index.len() { ci.index[i+1].1 } else { ci.n_overflow }; + (start, end) + }; + let mut lo = pos_start; + let mut hi = pos_end; + while lo < hi { + let mid = lo + (hi - lo) / 2; + let off = ci.data_offset + mid * OVERFLOW_ENTRY_SIZE; + let stored = u64::from_le_bytes(self.mmap[off..off+8].try_into().unwrap()) as usize; + match stored.cmp(&slot) { + Ordering::Equal => return u32::from_le_bytes(self.mmap[off+8..off+12].try_into().unwrap()), + Ordering::Less => lo = mid + 1, + Ordering::Greater => hi = mid, + } + } + panic!("slot {slot} marked overflow but not found") + } + + pub(crate) fn fill_row(&self, slot: usize, buf: &mut [u32]) { + for c in 0..self.n_cols { buf[c] = self.get(c, slot); } + } + + pub(crate) fn row(&self, slot: usize) -> Box<[u32]> { + (0..self.n_cols).map(|c| self.get(c, slot)).collect() } - m } -// ── Column append ───────────────────────────────────────────────────────────── +/// Build `counts/matrix.pcmx` from existing `col_*.pciv` files. +pub fn pack_compact_int_matrix(dir: &Path) -> io::Result<()> { + let meta = MatrixMeta::load(dir)?; + let n_cols = meta.n_cols; + + let col_files: Vec> = (0..n_cols) + .map(|c| fs::read(col_path(dir, c))) + .collect::>()?; + + let header_size = PCMX_HEADER + n_cols * 8; + let mut col_offset = header_size; + let mut offsets = Vec::with_capacity(n_cols); + for data in &col_files { + offsets.push(col_offset as u64); + col_offset += data.len(); + } + + let packed_path = dir.join("matrix.pcmx"); + let mut file = File::create(&packed_path)?; + file.write_all(&PCMX_MAGIC)?; + file.write_all(&[0u8; 4])?; + file.write_all(&(meta.n as u64).to_le_bytes())?; + file.write_all(&(n_cols as u64).to_le_bytes())?; + for &off in &offsets { file.write_all(&off.to_le_bytes())?; } + for data in &col_files { file.write_all(data)?; } + Ok(()) +} + +// ── PersistentCompactIntMatrix — public enum ────────────────────────────────── + +pub enum PersistentCompactIntMatrix { + Columnar(ColumnarCompactIntMatrix), + Packed(PackedCompactIntMatrix), +} impl PersistentCompactIntMatrix { - /// Append a new column to an existing matrix on disk. - /// - /// Reads `meta.json` to obtain `n` and the current column count, writes - /// `col_{n_cols:06}.pciv` filled by `value_of(slot)`, then increments - /// `n_cols` in `meta.json`. - pub fn append_column(dir: &Path, value_of: impl Fn(usize) -> u32) -> io::Result<()> { - let mut meta = MatrixMeta::load(dir)?; - let mut b = PersistentCompactIntVecBuilder::new(meta.n, &col_path(dir, meta.n_cols))?; - for slot in 0..meta.n { - b.set(slot, value_of(slot)); + /// Open from `layer_dir`, auto-detecting Packed or Columnar. + pub fn open(layer_dir: &Path) -> io::Result { + let counts_dir = layer_dir.join("counts"); + + if counts_dir.join("matrix.pcmx").exists() { + return Ok(Self::Packed(PackedCompactIntMatrix::open(&counts_dir.join("matrix.pcmx"))?)); } - b.close()?; - meta.n_cols += 1; - meta.save(dir) + + if MatrixMeta::load(&counts_dir).is_ok() { + return Ok(Self::Columnar(ColumnarCompactIntMatrix::open(&counts_dir)?)); + } + + Err(io::Error::new( + io::ErrorKind::NotFound, + format!("no count matrix found in {} — run 'obikmer upgrade'", layer_dir.display()), + )) + } + + pub fn n(&self) -> usize { + match self { Self::Columnar(m) => m.n(), Self::Packed(m) => m.n_rows } + } + + pub fn n_cols(&self) -> usize { + match self { Self::Columnar(m) => m.n_cols(), Self::Packed(m) => m.n_cols } + } + + pub fn col(&self, c: usize) -> &PersistentCompactIntVec { + match self { + Self::Columnar(m) => m.col(c), + _ => panic!("col() only available on Columnar PersistentCompactIntMatrix"), + } + } + + pub fn row(&self, slot: usize) -> Box<[u32]> { + match self { Self::Columnar(m) => m.row(slot), Self::Packed(m) => m.row(slot) } + } + + pub fn fill_row(&self, slot: usize, buf: &mut [u32]) { + match self { Self::Columnar(m) => m.fill_row(slot, buf), Self::Packed(m) => m.fill_row(slot, buf) } + } + + pub fn sum(&self) -> Array1 { + match self { + Self::Columnar(m) => m.sum(), + _ => panic!("sum() only available on Columnar PersistentCompactIntMatrix"), + } + } + + pub fn bray_dist_matrix(&self) -> Array2 { + match self { Self::Columnar(m) => m.bray_dist_matrix(), _ => panic!("Columnar only") } + } + pub fn relfreq_bray_dist_matrix(&self) -> Array2 { + match self { Self::Columnar(m) => m.relfreq_bray_dist_matrix(), _ => panic!("Columnar only") } + } + pub fn euclidean_dist_matrix(&self) -> Array2 { + match self { Self::Columnar(m) => m.euclidean_dist_matrix(), _ => panic!("Columnar only") } + } + pub fn relfreq_euclidean_dist_matrix(&self) -> Array2 { + match self { Self::Columnar(m) => m.relfreq_euclidean_dist_matrix(), _ => panic!("Columnar only") } + } + pub fn hellinger_dist_matrix(&self) -> Array2 { + match self { Self::Columnar(m) => m.hellinger_dist_matrix(), _ => panic!("Columnar only") } + } + pub fn jaccard_dist_matrix(&self) -> Array2 { + match self { Self::Columnar(m) => m.jaccard_dist_matrix(), _ => panic!("Columnar only") } + } + pub fn threshold_jaccard_dist_matrix(&self, threshold: u32) -> Array2 { + match self { Self::Columnar(m) => m.threshold_jaccard_dist_matrix(threshold), _ => panic!("Columnar only") } + } + pub fn partial_bray_dist_matrix(&self) -> Array2 { + match self { Self::Columnar(m) => m.partial_bray_dist_matrix(), _ => panic!("Columnar only") } + } + pub fn partial_euclidean_dist_matrix(&self) -> Array2 { + match self { Self::Columnar(m) => m.partial_euclidean_dist_matrix(), _ => panic!("Columnar only") } + } + pub fn partial_threshold_jaccard_dist_matrix(&self, threshold: u32) -> (Array2, Array2) { + match self { Self::Columnar(m) => m.partial_threshold_jaccard_dist_matrix(threshold), _ => panic!("Columnar only") } + } + pub fn partial_relfreq_bray_dist_matrix(&self, col_sums: &Array1) -> Array2 { + match self { Self::Columnar(m) => m.partial_relfreq_bray_dist_matrix(col_sums), _ => panic!("Columnar only") } + } + pub fn partial_relfreq_euclidean_dist_matrix(&self, col_sums: &Array1) -> Array2 { + match self { Self::Columnar(m) => m.partial_relfreq_euclidean_dist_matrix(col_sums), _ => panic!("Columnar only") } + } + pub fn partial_hellinger_euclidean_dist_matrix(&self, col_sums: &Array1) -> Array2 { + match self { Self::Columnar(m) => m.partial_hellinger_euclidean_dist_matrix(col_sums), _ => panic!("Columnar only") } + } + + pub fn append_column(dir: &Path, value_of: impl Fn(usize) -> u32) -> io::Result<()> { + ColumnarCompactIntMatrix::append_column(dir, value_of) } } @@ -240,24 +406,12 @@ impl ColumnWeights for PersistentCompactIntMatrix { } impl CountPartials for PersistentCompactIntMatrix { - fn partial_bray(&self) -> Array2 { - self.partial_bray_dist_matrix() - } - fn partial_euclidean(&self) -> Array2 { - self.partial_euclidean_dist_matrix() - } - fn partial_threshold_jaccard(&self, threshold: u32) -> (Array2, Array2) { - self.partial_threshold_jaccard_dist_matrix(threshold) - } - fn partial_relfreq_bray(&self, global: &Array1) -> Array2 { - self.partial_relfreq_bray_dist_matrix(global) - } - fn partial_relfreq_euclidean(&self, global: &Array1) -> Array2 { - self.partial_relfreq_euclidean_dist_matrix(global) - } - fn partial_hellinger(&self, global: &Array1) -> Array2 { - self.partial_hellinger_euclidean_dist_matrix(global) - } + fn partial_bray(&self) -> Array2 { self.partial_bray_dist_matrix() } + fn partial_euclidean(&self) -> Array2 { self.partial_euclidean_dist_matrix() } + fn partial_threshold_jaccard(&self, t: u32) -> (Array2, Array2) { self.partial_threshold_jaccard_dist_matrix(t) } + fn partial_relfreq_bray(&self, g: &Array1) -> Array2 { self.partial_relfreq_bray_dist_matrix(g) } + fn partial_relfreq_euclidean(&self, g: &Array1) -> Array2 { self.partial_relfreq_euclidean_dist_matrix(g) } + fn partial_hellinger(&self, g: &Array1) -> Array2 { self.partial_hellinger_euclidean_dist_matrix(g) } } // ── Builder ─────────────────────────────────────────────────────────────────── @@ -287,3 +441,16 @@ impl PersistentCompactIntMatrixBuilder { MatrixMeta { n: self.n, n_cols: self.n_cols }.save(&self.dir) } } + +// ── Helpers ─────────────────────────────────────────────────────────────────── + +fn upper_pairs(n: usize) -> Vec<(usize, usize)> { + (0..n).flat_map(|i| (i + 1..n).map(move |j| (i, j))).collect() +} + +fn fill_symmetric(n: usize, vals: impl Iterator) -> Array2 +where T: Clone + Default { + let mut m = Array2::from_elem((n, n), T::default()); + for (i, j, vij, vji) in vals { m[[i, j]] = vij; m[[j, i]] = vji; } + m +} diff --git a/src/obicompactvec/src/layer_meta.rs b/src/obicompactvec/src/layer_meta.rs new file mode 100644 index 0000000..65dc5bc --- /dev/null +++ b/src/obicompactvec/src/layer_meta.rs @@ -0,0 +1,33 @@ +use std::{fs, io, path::Path}; + +/// Lightweight metadata stored at the layer level (`layer_meta.json`). +/// +/// Written by `obilayeredmap::MphfLayer::build` alongside `mphf.bin`. +/// Read by `PersistentBitMatrix::open` to determine `n_rows` for the +/// implicit (mono-genome presence/absence) case. +pub struct LayerMeta { + pub n: usize, +} + +impl LayerMeta { + pub const FILENAME: &'static str = "layer_meta.json"; + + pub fn save(layer_dir: &Path, n: usize) -> io::Result<()> { + fs::write(layer_dir.join(Self::FILENAME), format!("{{\"n\":{n}}}\n")) + } + + pub fn load(layer_dir: &Path) -> io::Result { + let s = fs::read_to_string(layer_dir.join(Self::FILENAME))?; + Self::parse(&s) + .ok_or_else(|| io::Error::new(io::ErrorKind::InvalidData, "bad layer_meta.json")) + } + + fn parse(s: &str) -> Option { + let key = "\"n\":"; + let pos = s.find(key)? + key.len(); + let rest = s[pos..].trim_start(); + let end = rest.find(|c: char| !c.is_ascii_digit()).unwrap_or(rest.len()); + let n = rest[..end].parse().ok()?; + Some(Self { n }) + } +} diff --git a/src/obicompactvec/src/lib.rs b/src/obicompactvec/src/lib.rs index 270956f..8a1e5bb 100644 --- a/src/obicompactvec/src/lib.rs +++ b/src/obicompactvec/src/lib.rs @@ -3,14 +3,16 @@ mod bitmatrix; mod builder; mod format; mod intmatrix; +mod layer_meta; mod meta; mod reader; pub mod traits; pub use bitvec::{BitIter, PersistentBitVec, PersistentBitVecBuilder}; -pub use bitmatrix::{PersistentBitMatrix, PersistentBitMatrixBuilder}; +pub use bitmatrix::{PersistentBitMatrix, PersistentBitMatrixBuilder, pack_bit_matrix}; pub use builder::PersistentCompactIntVecBuilder; -pub use intmatrix::{PersistentCompactIntMatrix, PersistentCompactIntMatrixBuilder}; +pub use intmatrix::{PersistentCompactIntMatrix, PersistentCompactIntMatrixBuilder, pack_compact_int_matrix}; +pub use layer_meta::LayerMeta; pub use reader::PersistentCompactIntVec; pub use traits::{BitPartials, ColumnWeights, CountPartials}; diff --git a/src/obicompactvec/src/tests/bitmatrix.rs b/src/obicompactvec/src/tests/bitmatrix.rs index f5845d6..d825d85 100644 --- a/src/obicompactvec/src/tests/bitmatrix.rs +++ b/src/obicompactvec/src/tests/bitmatrix.rs @@ -5,7 +5,8 @@ use crate::{PersistentBitMatrix, PersistentBitMatrixBuilder}; fn make_matrix(cols: &[&[bool]]) -> (tempfile::TempDir, PersistentBitMatrix) { let n = cols.first().map_or(0, |c| c.len()); let dir = tempdir().unwrap(); - let mut b = PersistentBitMatrixBuilder::new(n, dir.path()).unwrap(); + let presence = dir.path().join("presence"); + let mut b = PersistentBitMatrixBuilder::new(n, &presence).unwrap(); for &col in cols { let mut cb = b.add_col().unwrap(); for (slot, &v) in col.iter().enumerate() { @@ -21,7 +22,8 @@ fn make_matrix(cols: &[&[bool]]) -> (tempfile::TempDir, PersistentBitMatrix) { #[test] fn single_col_roundtrip() { let dir = tempdir().unwrap(); - let mut b = PersistentBitMatrixBuilder::new(4, dir.path()).unwrap(); + let presence = dir.path().join("presence"); + let mut b = PersistentBitMatrixBuilder::new(4, &presence).unwrap(); let mut col = b.add_col().unwrap(); col.set(0, true); col.set(1, false); @@ -42,7 +44,8 @@ fn single_col_roundtrip() { #[test] fn two_cols_roundtrip() { let dir = tempdir().unwrap(); - let mut b = PersistentBitMatrixBuilder::new(3, dir.path()).unwrap(); + let presence = dir.path().join("presence"); + let mut b = PersistentBitMatrixBuilder::new(3, &presence).unwrap(); let mut col0 = b.add_col().unwrap(); col0.set(0, true); col0.set(1, false); col0.set(2, true); col0.close().unwrap(); @@ -61,7 +64,8 @@ fn two_cols_roundtrip() { #[test] fn col_accessor() { let dir = tempdir().unwrap(); - let mut b = PersistentBitMatrixBuilder::new(3, dir.path()).unwrap(); + let presence = dir.path().join("presence"); + let mut b = PersistentBitMatrixBuilder::new(3, &presence).unwrap(); let mut col = b.add_col().unwrap(); col.set(0, true); col.set(1, false); col.set(2, true); col.close().unwrap(); @@ -76,7 +80,8 @@ fn col_accessor() { #[test] fn zero_cols_roundtrip() { let dir = tempdir().unwrap(); - let b = PersistentBitMatrixBuilder::new(8, dir.path()).unwrap(); + let presence = dir.path().join("presence"); + let b = PersistentBitMatrixBuilder::new(8, &presence).unwrap(); b.close().unwrap(); let m = PersistentBitMatrix::open(dir.path()).unwrap(); @@ -89,9 +94,9 @@ fn zero_cols_roundtrip() { #[test] fn count_ones_per_column() { let (_d, m) = make_matrix(&[ - &[true, false, true, true], // 3 ones - &[false, false, false, false], // 0 ones - &[true, true, true, false], // 3 ones + &[true, false, true, true], + &[false, false, false, false], + &[true, true, true, false], ]); let c = m.count_ones(); assert_eq!(c[0], 3); diff --git a/src/obicompactvec/src/tests/intmatrix.rs b/src/obicompactvec/src/tests/intmatrix.rs index 2b9d45e..b9e1841 100644 --- a/src/obicompactvec/src/tests/intmatrix.rs +++ b/src/obicompactvec/src/tests/intmatrix.rs @@ -5,7 +5,7 @@ use crate::{PersistentCompactIntMatrix, PersistentCompactIntMatrixBuilder}; fn make_matrix(cols: &[&[u32]]) -> (tempfile::TempDir, PersistentCompactIntMatrix) { let n = cols.first().map_or(0, |c| c.len()); let dir = tempdir().unwrap(); - let mut b = PersistentCompactIntMatrixBuilder::new(n, dir.path()).unwrap(); + let mut b = PersistentCompactIntMatrixBuilder::new(n, &dir.path().join("counts")).unwrap(); for &col in cols { let mut cb = b.add_col().unwrap(); for (slot, &v) in col.iter().enumerate() { @@ -21,7 +21,7 @@ fn make_matrix(cols: &[&[u32]]) -> (tempfile::TempDir, PersistentCompactIntMatri #[test] fn single_col_roundtrip() { let dir = tempdir().unwrap(); - let mut b = PersistentCompactIntMatrixBuilder::new(4, dir.path()).unwrap(); + let mut b = PersistentCompactIntMatrixBuilder::new(4, &dir.path().join("counts")).unwrap(); let mut col = b.add_col().unwrap(); col.set(0, 10); col.set(1, 200); @@ -42,7 +42,7 @@ fn single_col_roundtrip() { #[test] fn two_cols_roundtrip() { let dir = tempdir().unwrap(); - let mut b = PersistentCompactIntMatrixBuilder::new(3, dir.path()).unwrap(); + let mut b = PersistentCompactIntMatrixBuilder::new(3, &dir.path().join("counts")).unwrap(); let mut col0 = b.add_col().unwrap(); col0.set(0, 1); col0.set(1, 2); col0.set(2, 3); col0.close().unwrap(); @@ -61,7 +61,7 @@ fn two_cols_roundtrip() { #[test] fn col_accessor() { let dir = tempdir().unwrap(); - let mut b = PersistentCompactIntMatrixBuilder::new(2, dir.path()).unwrap(); + let mut b = PersistentCompactIntMatrixBuilder::new(2, &dir.path().join("counts")).unwrap(); let mut col0 = b.add_col().unwrap(); col0.set(0, 5); col0.set(1, 7); col0.close().unwrap(); @@ -75,7 +75,7 @@ fn col_accessor() { #[test] fn zero_cols_roundtrip() { let dir = tempdir().unwrap(); - let b = PersistentCompactIntMatrixBuilder::new(10, dir.path()).unwrap(); + let b = PersistentCompactIntMatrixBuilder::new(10, &dir.path().join("counts")).unwrap(); b.close().unwrap(); let m = PersistentCompactIntMatrix::open(dir.path()).unwrap(); diff --git a/src/obikindex/src/index.rs b/src/obikindex/src/index.rs index 8e207a8..6583968 100644 --- a/src/obikindex/src/index.rs +++ b/src/obikindex/src/index.rs @@ -6,6 +6,7 @@ use std::sync::{Arc, Mutex}; use indicatif::{ProgressBar, ProgressStyle}; use obikpartitionner::{KmerPartition, KmerSpectrum}; +use obilayeredmap; use obisys::{Reporter, Stage}; use rayon::prelude::*; use tracing::info; @@ -199,6 +200,87 @@ impl KmerIndex { .join(format!("layer_{layer}")) .join("unitigs.bin") } + + /// Pack all partition matrices into single-file format (presence → .pbmx, counts → .pcmx). + /// + /// Reduces per-query file-open overhead from O(n_genomes) to O(1) per partition. + /// Column files are kept in place; packed files take priority when opening. + pub fn pack_matrices(&self) -> OKIResult<()> { + use obicompactvec::{pack_bit_matrix, pack_compact_int_matrix}; + use obilayeredmap::meta::PartitionMeta; + + let n = self.n_partitions(); + let errors: Vec<_> = (0..n) + .into_par_iter() + .filter_map(|i| { + let index_dir = self.partition.part_dir(i).join("index"); + if !index_dir.exists() { return None; } + let meta = match PartitionMeta::load(&index_dir) { + Ok(m) => m, + Err(e) => return Some(OKIError::Io(std::io::Error::new(std::io::ErrorKind::Other, e.to_string()))), + }; + for l in 0..meta.n_layers { + let layer_dir = index_dir.join(format!("layer_{l}")); + let presence_dir = layer_dir.join("presence"); + let counts_dir = layer_dir.join("counts"); + if presence_dir.exists() { + if let Err(e) = pack_bit_matrix(&presence_dir) { + return Some(OKIError::Io(e)); + } + } + if counts_dir.exists() { + if let Err(e) = pack_compact_int_matrix(&counts_dir) { + return Some(OKIError::Io(e)); + } + } + } + None + }) + .collect(); + + if let Some(e) = errors.into_iter().next() { return Err(e); } + Ok(()) + } + + /// Write a `layer_meta.json` in any layer directory that is missing one. + /// + /// Old indexes were built before this file was required. The number of + /// kmers is recovered from `unitigs.bin`, which is always present. + pub fn upgrade_layer_meta(&self) -> OKIResult<()> { + use obicompactvec::LayerMeta; + use obiskio::UnitigFileReader; + use obilayeredmap::meta::PartitionMeta; + + let n = self.n_partitions(); + let errors: Vec<_> = (0..n) + .into_par_iter() + .filter_map(|i| { + let index_dir = self.partition.part_dir(i).join("index"); + if !index_dir.exists() { return None; } + let meta = match PartitionMeta::load(&index_dir) { + Ok(m) => m, + Err(e) => return Some(OKIError::Io(std::io::Error::new(std::io::ErrorKind::Other, e.to_string()))), + }; + for l in 0..meta.n_layers { + let layer_dir = index_dir.join(format!("layer_{l}")); + let meta_path = layer_dir.join(LayerMeta::FILENAME); + if meta_path.exists() { continue; } + let unitigs_path = layer_dir.join("unitigs.bin"); + let n_kmers = match UnitigFileReader::open_sequential(&unitigs_path) { + Ok(r) => r.n_kmers(), + Err(e) => return Some(OKIError::Partition(e)), + }; + if let Err(e) = LayerMeta::save(&layer_dir, n_kmers) { + return Some(OKIError::Io(e)); + } + } + None + }) + .collect(); + + if let Some(e) = errors.into_iter().next() { return Err(e); } + Ok(()) + } } fn label_from_path(path: &Path) -> String { diff --git a/src/obikindex/src/merge.rs b/src/obikindex/src/merge.rs index 39b4395..dc129d8 100644 --- a/src/obikindex/src/merge.rs +++ b/src/obikindex/src/merge.rs @@ -196,6 +196,16 @@ impl KmerIndex { rep.push(t.stop()); } + // ── Pack matrices after merge ───────────────────────────────────────── + { + let t = Stage::start("pack"); + let pb = spinner("pack — consolidating column files …"); + let dst2 = KmerIndex::open(output)?; + dst2.pack_matrices()?; + pb.finish_and_clear(); + rep.push(t.stop()); + } + // Re-open to get the updated state. KmerIndex::open(output) } diff --git a/src/obikmer/src/cmd/mod.rs b/src/obikmer/src/cmd/mod.rs index 2fc940a..569b543 100644 --- a/src/obikmer/src/cmd/mod.rs +++ b/src/obikmer/src/cmd/mod.rs @@ -1,4 +1,5 @@ pub mod annotate; +pub mod pack; pub mod utils; pub mod distance; pub mod dump; diff --git a/src/obikmer/src/cmd/pack.rs b/src/obikmer/src/cmd/pack.rs new file mode 100644 index 0000000..f3c0d3d --- /dev/null +++ b/src/obikmer/src/cmd/pack.rs @@ -0,0 +1,36 @@ +use std::path::PathBuf; + +use clap::Args; +use obikindex::KmerIndex; +use obisys::{Reporter, Stage}; +use tracing::info; + +#[derive(Args)] +pub struct PackArgs { + /// Index directory to pack + pub index: PathBuf, +} + +pub fn run(args: PackArgs) { + let idx = KmerIndex::open(&args.index).unwrap_or_else(|e| { + eprintln!("error opening index: {e}"); + std::process::exit(1); + }); + + info!( + "pack: {} partition(s), {} genome(s)", + idx.n_partitions(), + idx.meta().genomes.len(), + ); + + let mut rep = Reporter::new(); + let t = Stage::start("pack"); + + idx.pack_matrices().unwrap_or_else(|e| { + eprintln!("pack error: {e}"); + std::process::exit(1); + }); + + rep.push(t.stop()); + rep.print(); +} diff --git a/src/obikmer/src/cmd/utils.rs b/src/obikmer/src/cmd/utils.rs index 0e7ec20..3bbaf4f 100644 --- a/src/obikmer/src/cmd/utils.rs +++ b/src/obikmer/src/cmd/utils.rs @@ -2,6 +2,7 @@ use std::path::PathBuf; use clap::Args; use obikindex::{validate_label, KmerIndex}; +use obikseq::set_k; use tracing::info; #[derive(Args)] @@ -12,6 +13,10 @@ pub struct UtilsArgs { /// Set a new genome label: NEW_LABEL=OLD_LABEL #[arg(long, value_name = "NEW=OLD")] pub new_label: Option, + + /// Add missing layer_meta.json files to each layer (required after upgrading from old indexes) + #[arg(long)] + pub upgrade_index: bool, } pub fn run(args: UtilsArgs) { @@ -22,12 +27,30 @@ pub fn run(args: UtilsArgs) { run_rename(&args.index, spec); } + if args.upgrade_index { + any = true; + run_upgrade_index(&args.index); + } + if !any { - eprintln!("utils: no operation specified. Available options: --new-label NEW=OLD"); + eprintln!("utils: no operation specified. Available options: --new-label NEW=OLD, --upgrade-index"); std::process::exit(1); } } +fn run_upgrade_index(index_path: &PathBuf) { + let idx = KmerIndex::open(index_path).unwrap_or_else(|e| { + eprintln!("error opening index: {e}"); + std::process::exit(1); + }); + set_k(idx.kmer_size()); + idx.upgrade_layer_meta().unwrap_or_else(|e| { + eprintln!("upgrade error: {e}"); + std::process::exit(1); + }); + info!("upgrade-index: layer_meta.json written to all layers that were missing it"); +} + fn run_rename(index_path: &PathBuf, spec: &str) { let (old_label, new_label) = parse_rename_spec(spec); diff --git a/src/obikmer/src/main.rs b/src/obikmer/src/main.rs index a872e46..47ff4c7 100644 --- a/src/obikmer/src/main.rs +++ b/src/obikmer/src/main.rs @@ -38,6 +38,8 @@ enum Commands { Reindex(cmd::reindex::ReindexArgs), /// Miscellaneous index utilities (--rename, …) Utils(cmd::utils::UtilsArgs), + /// Pack matrix column files into single-file format to reduce query I/O + Pack(cmd::pack::PackArgs), } fn main() { @@ -71,6 +73,7 @@ fn main() { Commands::Estimate(args) => cmd::estimate::run(args), Commands::Reindex(args) => cmd::reindex::run(args), Commands::Utils(args) => cmd::utils::run(args), + Commands::Pack(args) => cmd::pack::run(args), } #[cfg(feature = "profiling")] diff --git a/src/obikpartitionner/src/distance.rs b/src/obikpartitionner/src/distance.rs index b5e6914..f25a45f 100644 --- a/src/obikpartitionner/src/distance.rs +++ b/src/obikpartitionner/src/distance.rs @@ -22,8 +22,9 @@ impl KmerPartition { } let matrices = (0..probe_n_layers(&index_dir)) .filter_map(|l| { - let dir = index_dir.join(format!("layer_{l}")).join("counts"); - dir.exists().then(|| PersistentCompactIntMatrix::open(&dir).map_err(SKError::Io)) + let layer_dir = index_dir.join(format!("layer_{l}")); + layer_dir.join("counts").exists() + .then(|| PersistentCompactIntMatrix::open(&layer_dir).map_err(SKError::Io)) }) .collect::>>()?; Ok(LayeredStore::new(matrices)) @@ -38,8 +39,9 @@ impl KmerPartition { } let matrices = (0..probe_n_layers(&index_dir)) .filter_map(|l| { - let dir = index_dir.join(format!("layer_{l}")).join("presence"); - dir.exists().then(|| PersistentBitMatrix::open(&dir).map_err(SKError::Io)) + let layer_dir = index_dir.join(format!("layer_{l}")); + layer_dir.join("presence").exists() + .then(|| PersistentBitMatrix::open(&layer_dir).map_err(SKError::Io)) }) .collect::>>()?; Ok(LayeredStore::new(matrices)) diff --git a/src/obikpartitionner/src/dump_layer.rs b/src/obikpartitionner/src/dump_layer.rs index 4f060e9..77c7cd3 100644 --- a/src/obikpartitionner/src/dump_layer.rs +++ b/src/obikpartitionner/src/dump_layer.rs @@ -51,14 +51,14 @@ impl KmerPartition { let presence_dir = layer_dir.join("presence"); if use_counts && counts_dir.exists() { - let mat = PersistentCompactIntMatrix::open(&counts_dir).map_err(SKError::Io)?; + let mat = PersistentCompactIntMatrix::open(&layer_dir).map_err(SKError::Io)?; for (kmer, _, _) in reader.iter_indexed_canonical_kmers() { if let Some(slot) = mphf.find(kmer) { cb(kmer, mat.row(slot)); } } } else if !use_counts && presence_dir.exists() { - let mat = PersistentBitMatrix::open(&presence_dir).map_err(SKError::Io)?; + let mat = PersistentBitMatrix::open(&layer_dir).map_err(SKError::Io)?; for (kmer, _, _) in reader.iter_indexed_canonical_kmers() { if let Some(slot) = mphf.find(kmer) { let row: Box<[u32]> = mat.row(slot).iter().map(|&b| b as u32).collect(); @@ -108,14 +108,14 @@ impl KmerPartition { let presence_dir = layer_dir.join("presence"); if use_counts && counts_dir.exists() { - let mat = PersistentCompactIntMatrix::open(&counts_dir).map_err(SKError::Io)?; + let mat = PersistentCompactIntMatrix::open(&layer_dir).map_err(SKError::Io)?; for (kmer, _, _) in reader.iter_indexed_canonical_kmers() { if let Some(slot) = mphf.find(kmer) { cb(part, layer, kmer, mat.row(slot)); } } } else if !use_counts && presence_dir.exists() { - let mat = PersistentBitMatrix::open(&presence_dir).map_err(SKError::Io)?; + let mat = PersistentBitMatrix::open(&layer_dir).map_err(SKError::Io)?; for (kmer, _, _) in reader.iter_indexed_canonical_kmers() { if let Some(slot) = mphf.find(kmer) { let row: Box<[u32]> = mat.row(slot).iter().map(|&b| b as u32).collect(); diff --git a/src/obikpartitionner/src/merge_layer.rs b/src/obikpartitionner/src/merge_layer.rs index b8673a2..3af515b 100644 --- a/src/obikpartitionner/src/merge_layer.rs +++ b/src/obikpartitionner/src/merge_layer.rs @@ -45,37 +45,35 @@ impl ColBuilder { // ── SrcLayerData — opened source matrix for pass-2 lookup ───────────────────── pub(crate) enum SrcLayerData { - /// Pure set-membership layer (no data matrix): every kmer is present in all genomes. - SetMembership, Presence(MphfOnly, PersistentBitMatrix), Count(MphfOnly, PersistentCompactIntMatrix), } impl SrcLayerData { pub(crate) fn open(layer_dir: &Path, merge_mode: MergeMode) -> SKResult { - let presence_dir = layer_dir.join("presence"); - let counts_dir = layer_dir.join("counts"); + let counts_dir = layer_dir.join("counts"); match merge_mode { MergeMode::Presence => { - if presence_dir.exists() { + if counts_dir.exists() && !layer_dir.join("presence").exists() { let mphf = MphfOnly::open(layer_dir).map_err(olm_to_sk)?; - let mat = PersistentBitMatrix::open(&presence_dir).map_err(SKError::Io)?; - Ok(SrcLayerData::Presence(mphf, mat)) - } else if counts_dir.exists() { - let mphf = MphfOnly::open(layer_dir).map_err(olm_to_sk)?; - let mat = PersistentCompactIntMatrix::open(&counts_dir).map_err(SKError::Io)?; + let mat = PersistentCompactIntMatrix::open(layer_dir).map_err(SKError::Io)?; Ok(SrcLayerData::Count(mphf, mat)) } else { - Ok(SrcLayerData::SetMembership) + // presence dir exists, or neither exists → Implicit handled by open() + let mphf = MphfOnly::open(layer_dir).map_err(olm_to_sk)?; + let mat = PersistentBitMatrix::open(layer_dir).map_err(SKError::Io)?; + Ok(SrcLayerData::Presence(mphf, mat)) } } MergeMode::Count => { + let mphf = MphfOnly::open(layer_dir).map_err(olm_to_sk)?; if counts_dir.exists() { - let mphf = MphfOnly::open(layer_dir).map_err(olm_to_sk)?; - let mat = PersistentCompactIntMatrix::open(&counts_dir).map_err(SKError::Io)?; + let mat = PersistentCompactIntMatrix::open(layer_dir).map_err(SKError::Io)?; Ok(SrcLayerData::Count(mphf, mat)) } else { - Ok(SrcLayerData::SetMembership) + // No counts → treat as implicit presence (all 1s) + let mat = PersistentBitMatrix::open(layer_dir).map_err(SKError::Io)?; + Ok(SrcLayerData::Presence(mphf, mat)) } } } @@ -85,15 +83,12 @@ impl SrcLayerData { /// The caller guarantees `kmer` is in the source MPHF domain. #[inline] pub(crate) fn lookup(&self, kmer: CanonicalKmer, n_genomes: usize) -> Vec { + let mut buf = vec![0u32; n_genomes]; match self { - SrcLayerData::SetMembership => vec![1u32; n_genomes], - SrcLayerData::Presence(mphf, mat) => { - mat.row(mphf.index(kmer)).iter().map(|&b| b as u32).collect() - } - SrcLayerData::Count(mphf, mat) => { - mat.row(mphf.index(kmer)).iter().copied().collect() - } + SrcLayerData::Presence(mphf, mat) => mat.fill_row(mphf.index(kmer), &mut buf), + SrcLayerData::Count(mphf, mat) => mat.fill_row(mphf.index(kmer), &mut buf), } + buf } } diff --git a/src/obikpartitionner/src/query_layer.rs b/src/obikpartitionner/src/query_layer.rs index 97e09e3..e918ec6 100644 --- a/src/obikpartitionner/src/query_layer.rs +++ b/src/obikpartitionner/src/query_layer.rs @@ -20,48 +20,33 @@ fn olm_to_sk(e: OLMError) -> SKError { // ── per-layer query handle ──────────────────────────────────────────────────── enum QueryLayer { - /// Layer<()> — MPHF-only, no data matrix; all indexed kmers map to 1 per genome. - SetOnly(MphfLayer), Presence(MphfLayer, PersistentBitMatrix), Count(MphfLayer, PersistentCompactIntMatrix), } impl QueryLayer { fn open(layer_dir: &Path, with_counts: bool, mode: &IndexMode) -> SKResult { + let mphf = MphfLayer::open(layer_dir, mode).map_err(olm_to_sk)?; + let counts_dir = layer_dir.join("counts"); let presence_dir = layer_dir.join("presence"); - let counts_dir = layer_dir.join("counts"); if with_counts && counts_dir.exists() { - let mphf = MphfLayer::open(layer_dir, mode).map_err(olm_to_sk)?; - let mat = PersistentCompactIntMatrix::open(&counts_dir).map_err(SKError::Io)?; + let mat = PersistentCompactIntMatrix::open(layer_dir).map_err(SKError::Io)?; Ok(QueryLayer::Count(mphf, mat)) - } else if presence_dir.exists() { - let mphf = MphfLayer::open(layer_dir, mode).map_err(olm_to_sk)?; - let mat = PersistentBitMatrix::open(&presence_dir).map_err(SKError::Io)?; + } else if presence_dir.exists() || !counts_dir.exists() { + // presence mode, or no matrix at all → Implicit handled inside open() + let mat = PersistentBitMatrix::open(layer_dir).map_err(SKError::Io)?; Ok(QueryLayer::Presence(mphf, mat)) - } else if counts_dir.exists() { - // presence query on a count index — return counts as-is - let mphf = MphfLayer::open(layer_dir, mode).map_err(olm_to_sk)?; - let mat = PersistentCompactIntMatrix::open(&counts_dir).map_err(SKError::Io)?; - Ok(QueryLayer::Count(mphf, mat)) } else { - let mphf = MphfLayer::open(layer_dir, mode).map_err(olm_to_sk)?; - Ok(QueryLayer::SetOnly(mphf)) + // counts exist but not presence — count layer, no presence requested + let mat = PersistentCompactIntMatrix::open(layer_dir).map_err(SKError::Io)?; + Ok(QueryLayer::Count(mphf, mat)) } } - /// Write per-genome values into `buf` if `kmer` is indexed in this layer. - /// Returns `true` on hit; `buf` is untouched on miss. + /// Write per-genome values into `buf` if `kmer` is indexed; returns true on hit. fn find_into(&self, kmer: CanonicalKmer, n_genomes: usize, buf: &mut [u32]) -> bool { match self { - QueryLayer::SetOnly(mphf) => { - if mphf.find(kmer).is_some() { - buf[..n_genomes].fill(1); - true - } else { - false - } - } QueryLayer::Presence(mphf, mat) => { if let Some(slot) = mphf.find(kmer) { mat.fill_row(slot, &mut buf[..n_genomes]); @@ -87,14 +72,11 @@ impl QueryLayer { impl KmerPartition { /// Query a single partition, calling `on_hit(sk_idx, kmer_idx, row)` for /// every found k-mer without allocating intermediate result vectors. - /// - /// `row` is a shared scratch buffer valid only for the duration of the call; - /// the callback must copy what it needs before returning. pub fn query_partition_with( &self, part_idx: usize, superkmers: &[&RoutableSuperKmer], - k: usize, + _k: usize, n_genomes: usize, with_counts: bool, mut on_hit: F, @@ -133,13 +115,13 @@ impl KmerPartition { Ok(()) } - /// Query a single partition for a slice of (already-routed) super-kmers. + /// Query a single partition for a slice of super-kmers, returning per-kmer rows. /// Prefer [`query_partition_with`] to avoid per-kmer heap allocations. pub fn query_partition( &self, part_idx: usize, superkmers: &[&RoutableSuperKmer], - k: usize, + _k: usize, n_genomes: usize, with_counts: bool, ) -> SKResult>>>> { @@ -152,7 +134,7 @@ impl KmerPartition { if !index_dir.exists() { return Ok(superkmers .iter() - .map(|rsk| vec![None; rsk.seql() - k + 1]) + .map(|rsk| vec![None; rsk.seql()]) .collect()); } diff --git a/src/obilayeredmap/src/layer.rs b/src/obilayeredmap/src/layer.rs index 63b99d2..72b38ea 100644 --- a/src/obilayeredmap/src/layer.rs +++ b/src/obilayeredmap/src/layer.rs @@ -34,7 +34,7 @@ impl LayerData for () { impl LayerData for PersistentCompactIntMatrix { type Item = Box<[u32]>; fn open(layer_dir: &Path) -> OLMResult { - PersistentCompactIntMatrix::open(&layer_dir.join(COUNTS_DIR)).map_err(OLMError::Io) + PersistentCompactIntMatrix::open(layer_dir).map_err(OLMError::Io) } fn read(&self, slot: usize) -> Box<[u32]> { self.row(slot) } } @@ -42,7 +42,7 @@ impl LayerData for PersistentCompactIntMatrix { impl LayerData for PersistentBitMatrix { type Item = Box<[bool]>; fn open(layer_dir: &Path) -> OLMResult { - PersistentBitMatrix::open(&layer_dir.join(PRESENCE_DIR)).map_err(OLMError::Io) + PersistentBitMatrix::open(layer_dir).map_err(OLMError::Io) } fn read(&self, slot: usize) -> Box<[bool]> { self.row(slot) } } diff --git a/src/obilayeredmap/src/layered_store.rs b/src/obilayeredmap/src/layered_store.rs index f25855d..433183e 100644 --- a/src/obilayeredmap/src/layered_store.rs +++ b/src/obilayeredmap/src/layered_store.rs @@ -107,7 +107,7 @@ mod tests { fn make_int_matrix(cols: &[&[u32]]) -> (tempfile::TempDir, PersistentCompactIntMatrix) { let n = cols.first().map_or(0, |c| c.len()); let dir = tempdir().unwrap(); - let mut b = PersistentCompactIntMatrixBuilder::new(n, dir.path()).unwrap(); + let mut b = PersistentCompactIntMatrixBuilder::new(n, &dir.path().join("counts")).unwrap(); for &col in cols { let mut cb = b.add_col().unwrap(); for (slot, &v) in col.iter().enumerate() { cb.set(slot, v); } @@ -121,7 +121,7 @@ mod tests { fn make_bit_matrix(cols: &[&[bool]]) -> (tempfile::TempDir, PersistentBitMatrix) { let n = cols.first().map_or(0, |c| c.len()); let dir = tempdir().unwrap(); - let mut b = PersistentBitMatrixBuilder::new(n, dir.path()).unwrap(); + let mut b = PersistentBitMatrixBuilder::new(n, &dir.path().join("presence")).unwrap(); for &col in cols { let mut cb = b.add_col().unwrap(); for (slot, &v) in col.iter().enumerate() { cb.set(slot, v); } diff --git a/src/obilayeredmap/src/mphf_layer.rs b/src/obilayeredmap/src/mphf_layer.rs index a5e30b7..2661123 100644 --- a/src/obilayeredmap/src/mphf_layer.rs +++ b/src/obilayeredmap/src/mphf_layer.rs @@ -3,6 +3,7 @@ use std::path::{Path, PathBuf}; use cacheline_ef::{CachelineEf, CachelineEfVec}; use epserde::prelude::*; +use obicompactvec::LayerMeta; use obikseq::CanonicalKmer; use obiskio::{CanonicalKmerIter, UnitigFileReader, UnitigFileWriter, build_unitig_idx}; use ptr_hash::{PtrHash, PtrHashParams, bucket_fn::CubicEps, hash::Xx64}; @@ -341,6 +342,7 @@ impl MphfLayer { } } + LayerMeta::save(dir, n)?; Ok(n) } }