refactor: implement RoutableSuperKmer and update k-mer indexing pipeline

Replace raw SuperkMer routing with a new RoutableSuperKimer type that embeds canonical sequences and precomputed minimizers, enabling direct partition routing via hash. Update the build pipeline to yield RoutableSuperKmers throughout (builder, scatterer), refactor FASTA/unitig export commands to use the new type and compressed outputs (.fasta.gz, .unitigs.fasta.zst), revise SuperKmer header to store n_kmers instead of seql (avoiding 256-byte wrap), and update documentation to reflect minimizer-based theory, two evidence-encoding strategies for unitig-MPHF indexing (global offset vs. ID+rank), and the new obipipeline library architecture with parallel workers, biased scheduling, and error handling.
This commit is contained in:
Eric Coissac
2026-04-29 22:52:42 +02:00
parent 4e26e3bd40
commit 27f5e88a7b
72 changed files with 10093 additions and 1626 deletions
+2
View File
@@ -5,6 +5,8 @@ edition = "2024"
[dependencies]
bitvec = "1"
serde = { version = "1.0", features = ["derive"] }
serde_json = "1.0.149"
xxhash-rust = { version = "0.8.15", features = ["xxh3", "const_xxh3"] }
[dev-dependencies]
+1 -1
View File
@@ -40,7 +40,7 @@ fn bench_write_ascii(c: &mut Criterion) {
let mut buf = Vec::with_capacity(len);
b.iter(|| {
buf.clear();
std::hint::black_box(sk).write_ascii(&mut buf);
std::hint::black_box(sk).write_ascii(&mut buf).unwrap();
});
});
}
+12
View File
@@ -0,0 +1,12 @@
use serde::Serialize;
use serde_json;
use std::io::{self, Write};
/// Serialize `self` as a single-line JSON object into a writer.
pub trait Annotation: Serialize {
/// Write the annotation as compact JSON into `writer`.
fn write<W: Write>(&self, writer: &mut W) -> io::Result<()> {
let s = serde_json::to_string(self).map_err(io::Error::other)?;
writer.write_all(s.as_bytes())
}
}
+8 -6
View File
@@ -4,6 +4,8 @@
//! The low 642k bits are always zero. k is not stored — it is a parameter of
//! every operation that needs it, and will be owned by the collection-level indexer.
use std::io::{self, Write};
use crate::encoding::{DEC4, encode_base};
// ── KmerError ─────────────────────────────────────────────────────────────────
@@ -115,24 +117,24 @@ impl Kmer {
#[inline]
pub fn to_ascii(&self, k: usize) -> Vec<u8> {
let mut buf = Vec::with_capacity(k);
self.write_ascii(k, &mut buf);
self.write_ascii(k, &mut buf).unwrap();
buf
}
/// Decode this kmer into ASCII nucleotides, appending into `buf`.
/// Zero allocation — caller owns the buffer.
/// Decode this kmer into ASCII nucleotides, writing into `writer`.
#[inline]
pub fn write_ascii(&self, k: usize, buf: &mut Vec<u8>) {
pub fn write_ascii<W: Write>(&self, k: usize, writer: &mut W) -> io::Result<()> {
let bytes = self.0.to_be_bytes();
let full = k / 4;
let rem = k % 4;
for i in 0..full {
buf.extend_from_slice(&DEC4[bytes[i] as usize].to_be_bytes());
writer.write_all(&DEC4[bytes[i] as usize].to_be_bytes())?;
}
if rem > 0 {
let decoded = DEC4[bytes[full] as usize].to_be_bytes();
buf.extend_from_slice(&decoded[..rem]);
writer.write_all(&decoded[..rem])?;
}
Ok(())
}
/// Compute the reverse complement of this kmer.
+9
View File
@@ -5,8 +5,17 @@
#![deny(missing_docs)]
mod annotations;
mod encoding;
pub mod kmer;
mod revcomp_lookup;
/// Routable super-kmer: canonical sequence paired with its minimizer for scatter routing.
pub mod routable;
pub mod superkmer;
pub mod unitig;
pub use annotations::Annotation;
pub use routable::RoutableSuperKmer;
pub use superkmer::SuperKmer;
+59
View File
@@ -0,0 +1,59 @@
//! Super-kmer with routing metadata: canonical sequence + pre-computed minimizer.
use super::kmer::Kmer;
use super::SuperKmer;
/// Owned wrapper that pairs a canonical [`SuperKmer`] with its minimizer [`Kmer`].
///
/// Created at the single point where raw sequence bytes are emitted from the
/// scratch buffer. The minimizer position (given in original orientation) is
/// adjusted for any flip applied during canonicalisation. After routing, call
/// [`into_superkmer`] to discard the metadata and continue with the bare sequence.
///
/// [`into_superkmer`]: RoutableSuperKmer::into_superkmer
pub struct RoutableSuperKmer {
superkmer: SuperKmer,
minimizer: Kmer,
}
impl RoutableSuperKmer {
/// Construct from raw packed bytes.
///
/// `min_pos` is the 0-based minimizer position in the **original** (pre-flip)
/// orientation. `m` is the minimizer length. `seql` and `seq` are the
/// raw length byte and 2-bit-packed nucleotides as produced by the scratch
/// buffer.
pub fn build(min_pos: usize, m: usize, seql: u8, seq: Box<[u8]>) -> Self {
let (sk, already_canonical) = SuperKmer::build(seql, seq);
let adjusted_pos = if already_canonical {
min_pos
} else {
sk.len() - m - min_pos
};
let minimizer = sk.kmer(adjusted_pos, m).unwrap().canonical(m);
Self {
superkmer: sk,
minimizer,
}
}
/// Borrow the canonical super-kmer sequence.
pub fn superkmer(&self) -> &SuperKmer {
&self.superkmer
}
/// Borrow the canonical minimizer kmer.
pub fn minimizer(&self) -> &Kmer {
&self.minimizer
}
/// Consume this wrapper and return the inner [`SuperKmer`].
pub fn into_superkmer(self) -> SuperKmer {
self.superkmer
}
/// Sequence length in nucleotides.
pub fn len(&self) -> usize {
self.superkmer.len()
}
}
+5
View File
@@ -0,0 +1,5 @@
pub trait Sequence {
fn len(&self) -> usize;
fn sequence(&self) -> &[u8];
fn revcomp(&self) -> Self;
}
+54 -587
View File
@@ -1,4 +1,7 @@
//! Compact 2-bit DNA super-kmer with in-place reverse complement and canonical form.
use std::io::{self, Write};
use serde::Serialize;
use crate::encoding::{DEC4, encode_base};
use crate::kmer::{Kmer, KmerError};
@@ -14,70 +17,24 @@ use xxhash_rust::xxh3::xxh3_64;
///
/// ```text
/// [31 .......... 8] [7 ...... 0]
/// payload (24 b) SEQL (8 b)
/// count (24 b) SEQL (8 b)
/// ```
///
/// SEQL encodes the sequence length: 1255 map directly; 0 encodes 256.
///
/// # Temporal dual-use of the payload field
///
/// The 24-bit payload field serves two distinct roles that are **never active
/// at the same time**, separated by the routing step of the scatter pipeline:
///
/// | Phase | Bits [15:8] | Bits [31:16] |
/// |---|---|---|
/// | **Scatter** (before routing) | minimizer start position (0255) | unused (zero) |
/// | **Count** (after routing) | low byte of occurrence count | high bytes of occurrence count |
///
/// During scatter, [`set_minimizer_pos`] stores the 0-based position of the
/// minimizer's first nucleotide within the super-kmer. At routing time,
/// [`init_count`] overwrites the entire payload with `1`, marking the
/// super-kmer as seen once and enabling the usual [`increment`] / [`add`] /
/// [`set_count`] operations during deduplication.
///
/// [`set_minimizer_pos`]: SuperKmerHeader::set_minimizer_pos
/// [`init_count`]: SuperKmerHeader::init_count
/// [`increment`]: SuperKmerHeader::increment
/// [`add`]: SuperKmerHeader::add
/// [`set_count`]: SuperKmerHeader::set_count
/// The count field starts at 1 and accumulates occurrence counts during
/// deduplication.
#[derive(Debug, Clone, Copy)]
pub(crate) struct SuperKmerHeader(u32);
impl SuperKmerHeader {
pub(crate) fn new(seql: u8) -> Self {
Self(seql as u32)
Self((1 << 8) | seql as u32)
}
fn seql(&self) -> u8 {
self.0 as u8
}
// ── scatter phase ─────────────────────────────────────────────────────────
/// Store the minimizer start position (bits [15:8]).
/// Only meaningful during the scatter phase, before [`init_count`].
///
/// [`init_count`]: SuperKmerHeader::init_count
fn set_minimizer_pos(&mut self, pos: u8) {
self.0 = (self.0 & 0xFF) | ((pos as u32) << 8);
}
/// Return the minimizer start position stored during scatter.
/// Only meaningful before [`init_count`] is called.
///
/// [`init_count`]: SuperKmerHeader::init_count
fn minimizer_pos(&self) -> u8 {
(self.0 >> 8) as u8
}
// ── count phase ───────────────────────────────────────────────────────────
/// Transition from scatter to count phase: set occurrence count to 1.
/// Overwrites the minimizer position stored in the payload.
fn init_count(&mut self) {
self.0 = (self.0 & 0xFF) | (1 << 8);
}
fn count(&self) -> u32 {
self.0 >> 8
}
@@ -95,6 +52,15 @@ impl SuperKmerHeader {
}
}
#[derive(Serialize)]
struct CountAnnotation {
seq_length: usize,
kmer_size: usize,
minimizer_size: usize,
partition: u32,
count: u32,
}
// ── SuperKmer ─────────────────────────────────────────────────────────────────
/// Canonical super-kmer: 32-bit header followed by a byte-aligned 2-bit nucleotide sequence.
@@ -127,12 +93,18 @@ impl std::hash::Hash for SuperKmer {
impl SuperKmer {
/// `seql` is the raw stored byte: 1255 for lengths 1255, 0 for length 256.
pub fn new(seql: u8, seq: Box<[u8]>) -> Self {
let len = stored_to_len(seql);
debug_assert_eq!(seq.len(), byte_len(len));
Self {
Self::build(seql, seq).0
}
/// Construct and canonicalise in place, returning `(sk, already_canonical)`.
/// `already_canonical` is `true` when the sequence was not flipped.
pub fn build(seql: u8, seq: Box<[u8]>) -> (Self, bool) {
let mut sk = Self {
header: SuperKmerHeader::new(seql),
seq,
}
};
let already_canonical = sk.canonical(); // true = pas retourné
(sk, already_canonical)
}
/// Deserialise from a raw 32-bit header word and packed sequence bytes.
@@ -141,14 +113,19 @@ impl SuperKmer {
let seql = (bits & 0xFF) as u8;
let len = stored_to_len(seql);
debug_assert_eq!(seq.len(), byte_len(len));
Self {
let sk = Self {
header: SuperKmerHeader(bits),
seq,
}
};
debug_assert!(
sk.is_canonical(),
"SuperKmer deserialised from disk is not canonical"
);
sk
}
/// Returns the sequence length in nucleotides (1256).
pub fn seql(&self) -> usize {
pub fn len(&self) -> usize {
stored_to_len(self.header.seql())
}
@@ -172,44 +149,6 @@ impl SuperKmer {
self.header.set_count(n);
}
// ── scatter / routing interface ───────────────────────────────────────────
/// Store the 0-based position of the minimizer's first nucleotide within
/// this super-kmer.
///
/// **Scatter phase only.** Must be called before [`init_count`].
/// The position is encoded in the payload field that later holds the
/// occurrence count; the two uses are mutually exclusive by pipeline phase.
///
/// [`init_count`]: SuperKmer::init_count
pub fn set_minimizer_pos(&mut self, pos: u8) {
self.header.set_minimizer_pos(pos);
}
/// Return the stored minimizer start position.
///
/// **Scatter phase only.** Only meaningful before [`init_count`] is called.
///
/// [`init_count`]: SuperKmer::init_count
pub fn minimizer_pos(&self) -> u8 {
self.header.minimizer_pos()
}
/// Transition from scatter phase to count phase: set occurrence count to 1.
///
/// Call this once at routing time. After this call, [`minimizer_pos`] is
/// no longer valid and the count methods ([`count`], [`increment`], [`add`],
/// [`set_count`]) become meaningful.
///
/// [`minimizer_pos`]: SuperKmer::minimizer_pos
/// [`count`]: SuperKmer::count
/// [`increment`]: SuperKmer::increment
/// [`add`]: SuperKmer::add
/// [`set_count`]: SuperKmer::set_count
pub fn init_count(&mut self) {
self.header.init_count();
}
/// Extract nucleotide i (0-based from 5' end) as a 2-bit value.
pub fn nucleotide(&self, i: usize) -> u8 {
(self.seq[i / 4] >> (6 - 2 * (i % 4))) & 0b11
@@ -217,7 +156,7 @@ impl SuperKmer {
/// Reverse-complement this super-kmer in place.
pub fn revcomp(&mut self) {
let seql = self.seql();
let seql = self.len();
let n = byte_len(seql);
// Step 1: swap bytes outside-in, applying revcomp4 to each.
@@ -245,8 +184,7 @@ impl SuperKmer {
}
}
/// Encode an ASCII nucleotide sequence (ACGT, length 1256) into a new SuperKmer.
/// The result is not yet in canonical form; call `.canonical()` if needed.
/// Encode an ASCII nucleotide sequence (ACGT, length 1256) into a canonical SuperKmer.
pub fn from_ascii(ascii: &[u8]) -> Self {
let seql = ascii.len();
debug_assert!(
@@ -275,25 +213,26 @@ impl SuperKmer {
Self::new(seql as u8, seq.into_boxed_slice()) // 256usize as u8 == 0, intentional
}
/// Decode this super-kmer sequence into ASCII nucleotides, appending into `buf`.
pub fn write_ascii(&self, buf: &mut Vec<u8>) {
let seql = self.seql();
/// Decode this super-kmer sequence into ASCII nucleotides, writing into `writer`.
pub fn write_ascii<W: Write>(&self, writer: &mut W) -> io::Result<()> {
let seql = self.len();
let full = seql / 4;
for i in 0..full {
buf.extend_from_slice(&DEC4[self.seq[i] as usize].to_be_bytes());
writer.write_all(&DEC4[self.seq[i] as usize].to_be_bytes())?;
}
let rem = seql % 4;
if rem > 0 {
let bytes = DEC4[self.seq[full] as usize].to_be_bytes();
buf.extend_from_slice(&bytes[..rem]);
writer.write_all(&bytes[..rem])?;
}
Ok(())
}
/// Decode this super-kmer sequence into a fresh ASCII `Vec<u8>`.
pub fn to_ascii(&self) -> Vec<u8> {
let mut buf = Vec::with_capacity(self.seql());
self.write_ascii(&mut buf);
let mut buf = Vec::with_capacity(self.len());
self.write_ascii(&mut buf).unwrap();
buf
}
@@ -318,7 +257,7 @@ impl SuperKmer {
if k == 0 || k > 32 {
return Err(KmerError::InvalidK { k });
}
let seql = self.seql();
let seql = self.len();
if i + k > seql {
return Err(KmerError::OutOfBounds {
position: i,
@@ -351,7 +290,7 @@ impl SuperKmer {
/// Returns `true` if this super-kmer is in canonical form (lexicographic minimum of forward and revcomp).
pub fn is_canonical(&self) -> bool {
let seql = self.seql();
let seql = self.len();
for i in 0..seql {
let fwd = self.nucleotide(i);
let rev = complement(self.nucleotide(seql - 1 - i));
@@ -398,14 +337,18 @@ struct SKKmerIter<'a> {
impl<'a> SKKmerIter<'a> {
fn new(skmer: &'a SuperKmer, k: usize) -> Self {
let seql = skmer.seql();
let seql = skmer.len();
let lshift = 64 - k * 2;
let mask = ((!0u128) << (lshift + 2)) as u64;
Self {
skmer,
mask,
lshift,
current: if seql >= k { skmer.kmer(0, k).unwrap().raw() } else { 0 },
current: if seql >= k {
skmer.kmer(0, k).unwrap().raw()
} else {
0
},
pos: k,
max_pos: seql,
}
@@ -449,482 +392,6 @@ fn stored_to_len(s: u8) -> usize {
if s == 0 { 256 } else { s as usize }
}
// ── tests ─────────────────────────────────────────────────────────────────────
#[cfg(test)]
mod tests {
use super::*;
/// Repeating ACGT pattern of the given length.
fn make_seq(len: usize) -> Vec<u8> {
(0..len).map(|i| b"ACGT"[i % 4]).collect()
}
/// Reference revcomp on ASCII bytes.
fn ascii_revcomp(seq: &[u8]) -> Vec<u8> {
seq.iter()
.rev()
.map(|&b| match b {
b'A' => b'T',
b'T' => b'A',
b'C' => b'G',
b'G' => b'C',
_ => b'A',
})
.collect()
}
fn all_lengths() -> impl Iterator<Item = usize> {
(1..=9).chain([255, 256])
}
// ── kmer extraction ───────────────────────────────────────────────────────
#[test]
fn kmer_first_matches_from_ascii() {
let ascii = b"ACGTACGT";
let sk = SuperKmer::from_ascii(ascii);
let k = 4;
let kmer = sk.kmer(0, k).unwrap();
let expected = crate::kmer::Kmer::from_ascii(&ascii[..k], k).unwrap();
assert_eq!(kmer, expected);
}
#[test]
fn kmer_last_position() {
let ascii = b"ACGTACGT";
let seql = ascii.len();
let k = 4;
let sk = SuperKmer::from_ascii(ascii);
let kmer = sk.kmer(seql - k, k).unwrap();
let expected = crate::kmer::Kmer::from_ascii(&ascii[seql - k..], k).unwrap();
assert_eq!(kmer, expected);
}
#[test]
fn kmer_all_positions() {
let ascii = b"ACGTACGTACGT";
let k = 4;
let sk = SuperKmer::from_ascii(ascii);
for i in 0..=ascii.len() - k {
let kmer = sk.kmer(i, k).unwrap();
let expected = crate::kmer::Kmer::from_ascii(&ascii[i..i + k], k).unwrap();
assert_eq!(kmer, expected, "mismatch at position {i}");
}
}
#[test]
fn kmer_out_of_bounds() {
let sk = SuperKmer::from_ascii(b"ACGT");
assert!(sk.kmer(2, 4).is_err()); // 2 + 4 > 4
assert!(sk.kmer(4, 1).is_err()); // 4 + 1 > 4
}
#[test]
fn kmer_invalid_k() {
let sk = SuperKmer::from_ascii(b"ACGT");
assert!(sk.kmer(0, 0).is_err());
assert!(sk.kmer(0, 33).is_err());
}
// ── canonical_kmer ────────────────────────────────────────────────────────
#[test]
fn canonical_kmer_is_min_of_kmer_and_revcomp() {
let sk = SuperKmer::from_ascii(b"ACGTACGT");
let k = 4;
for i in 0..=(sk.seql() - k) {
let ck = sk.canonical_kmer(i, k).unwrap();
let fwd = sk.kmer(i, k).unwrap();
assert_eq!(ck, fwd.canonical(k));
}
}
#[test]
fn canonical_kmer_palindrome_unchanged() {
// ACGT is its own reverse complement
let sk = SuperKmer::from_ascii(b"ACGT");
let ck = sk.canonical_kmer(0, 4).unwrap();
let fwd = sk.kmer(0, 4).unwrap();
assert_eq!(ck, fwd);
}
#[test]
fn canonical_kmer_tttt_becomes_aaaa() {
let sk = SuperKmer::from_ascii(b"TTTT");
let ck = sk.canonical_kmer(0, 4).unwrap();
let expected = Kmer::from_ascii(b"AAAA", 4).unwrap();
assert_eq!(ck, expected);
}
#[test]
fn canonical_kmer_errors_propagate() {
let sk = SuperKmer::from_ascii(b"ACGT");
assert!(sk.canonical_kmer(2, 4).is_err()); // out of bounds
assert!(sk.canonical_kmer(0, 0).is_err()); // invalid k
}
// ── count ─────────────────────────────────────────────────────────────────
#[test]
fn count_starts_at_zero() {
let sk = SuperKmer::from_ascii(b"ACGT");
assert_eq!(sk.count(), 0);
}
#[test]
fn increment_adds_one() {
let mut sk = SuperKmer::from_ascii(b"ACGT");
sk.increment();
assert_eq!(sk.count(), 1);
sk.increment();
assert_eq!(sk.count(), 2);
}
#[test]
fn add_increases_count() {
let mut sk = SuperKmer::from_ascii(b"ACGT");
sk.add(42);
assert_eq!(sk.count(), 42);
sk.add(8);
assert_eq!(sk.count(), 50);
}
#[test]
fn set_count_overwrites() {
let mut sk = SuperKmer::from_ascii(b"ACGT");
sk.add(100);
sk.set_count(7);
assert_eq!(sk.count(), 7);
}
#[test]
fn increment_preserves_seql() {
for len in all_lengths() {
let mut sk = SuperKmer::from_ascii(&make_seq(len));
sk.increment();
assert_eq!(sk.seql(), len, "increment altered seql for len={len}");
}
}
#[test]
fn add_preserves_seql() {
for len in all_lengths() {
let mut sk = SuperKmer::from_ascii(&make_seq(len));
sk.add(1000);
assert_eq!(sk.seql(), len, "add altered seql for len={len}");
}
}
#[test]
fn set_count_preserves_seql() {
for len in all_lengths() {
let mut sk = SuperKmer::from_ascii(&make_seq(len));
sk.set_count(999);
assert_eq!(sk.seql(), len, "set_count altered seql for len={len}");
assert_eq!(sk.count(), 999);
}
}
#[test]
fn count_does_not_affect_sequence() {
let ascii = b"ACGTACGT".to_vec();
let mut sk = SuperKmer::from_ascii(&ascii);
sk.set_count(16_000_000);
assert_eq!(sk.to_ascii(), ascii);
}
// ── seql encoding ─────────────────────────────────────────────────────────
#[test]
fn seql_roundtrip() {
for len in all_lengths() {
let sk = SuperKmer::from_ascii(&make_seq(len));
assert_eq!(sk.seql(), len, "seql() wrong for len={len}");
}
}
#[test]
fn seql_256_stored_as_zero() {
let sk = SuperKmer::from_ascii(&make_seq(256));
assert_eq!(sk.header.seql(), 0u8);
assert_eq!(sk.seql(), 256);
}
// ── from_ascii / to_ascii roundtrip ───────────────────────────────────────
#[test]
fn ascii_roundtrip_all_lengths() {
for len in all_lengths() {
let ascii = make_seq(len);
let sk = SuperKmer::from_ascii(&ascii);
assert_eq!(sk.to_ascii(), ascii, "roundtrip failed for len={len}");
}
}
#[test]
fn ascii_roundtrip_all_bases() {
for (base, expected) in [(b'A', b'A'), (b'C', b'C'), (b'G', b'G'), (b'T', b'T')] {
let ascii = vec![base; 4];
let sk = SuperKmer::from_ascii(&ascii);
assert_eq!(sk.to_ascii(), vec![expected; 4]);
}
}
// ── revcomp correctness ───────────────────────────────────────────────────
/// Known (seq, expected_revcomp) pairs — one per shift value × two byte counts.
#[test]
fn revcomp_known_values() {
let cases = [
// shift=6
("A", "T"),
("ACGTA", "TACGT"),
// shift=4
("AC", "GT"),
("ACGTAC", "GTACGT"),
// shift=2
("ACG", "CGT"),
("ACGTACG", "CGTACGT"),
// shift=0
("ACGT", "ACGT"),
("ACGTACGT", "ACGTACGT"),
];
for (seq, expected) in cases {
let mut sk = SuperKmer::from_ascii(seq.as_bytes());
sk.revcomp();
assert_eq!(
sk.to_ascii(),
expected.as_bytes(),
"revcomp wrong for \"{seq}\""
);
}
}
#[test]
fn revcomp_vs_reference_all_lengths() {
for len in all_lengths() {
let ascii = make_seq(len);
let expected = ascii_revcomp(&ascii);
let mut sk = SuperKmer::from_ascii(&ascii);
sk.revcomp();
assert_eq!(sk.to_ascii(), expected, "revcomp wrong for len={len}");
}
}
#[test]
fn revcomp_involution_all_lengths() {
for len in all_lengths() {
let ascii = make_seq(len);
let mut sk = SuperKmer::from_ascii(&ascii);
sk.revcomp();
sk.revcomp();
assert_eq!(sk.to_ascii(), ascii, "revcomp∘revcomp≠id for len={len}");
}
}
// ── canonical ─────────────────────────────────────────────────────────────
#[test]
fn canonical_palindrome_unchanged() {
// ACGT is its own revcomp
let mut sk = SuperKmer::from_ascii(b"ACGT");
sk.canonical();
assert_eq!(sk.to_ascii(), b"ACGT");
}
#[test]
fn canonical_chooses_forward() {
// "AAAA" < "TTTT" → stays as-is
let mut sk = SuperKmer::from_ascii(b"AAAA");
sk.canonical();
assert_eq!(sk.to_ascii(), b"AAAA");
}
#[test]
fn canonical_chooses_revcomp() {
// "TTTT" > "AAAA" → flipped
let mut sk = SuperKmer::from_ascii(b"TTTT");
sk.canonical();
assert_eq!(sk.to_ascii(), b"AAAA");
}
#[test]
fn canonical_is_minimal_all_lengths() {
for len in all_lengths() {
let ascii = make_seq(len);
let mut sk = SuperKmer::from_ascii(&ascii);
sk.canonical();
let fwd = sk.to_ascii();
let rev = ascii_revcomp(&fwd);
assert!(fwd <= rev, "canonical not minimal for len={len}");
}
}
// ── scatter / routing lifecycle ───────────────────────────────────────────
#[test]
fn minimizer_pos_roundtrip() {
let mut sk = SuperKmer::from_ascii(b"ACGTACGT");
sk.set_minimizer_pos(42);
assert_eq!(sk.minimizer_pos(), 42);
assert_eq!(sk.seql(), 8, "set_minimizer_pos altered seql");
}
#[test]
fn minimizer_pos_boundary_values() {
let mut sk = SuperKmer::from_ascii(b"ACGTACGT");
sk.set_minimizer_pos(0);
assert_eq!(sk.minimizer_pos(), 0);
sk.set_minimizer_pos(255);
assert_eq!(sk.minimizer_pos(), 255);
}
#[test]
fn init_count_resets_to_one_and_enables_counting() {
let mut sk = SuperKmer::from_ascii(b"ACGTACGT");
sk.set_minimizer_pos(7);
sk.init_count();
assert_eq!(sk.count(), 1);
sk.increment();
assert_eq!(sk.count(), 2);
sk.add(10);
assert_eq!(sk.count(), 12);
}
#[test]
fn init_count_preserves_seql() {
for len in all_lengths() {
let mut sk = SuperKmer::from_ascii(&make_seq(len));
sk.set_minimizer_pos(0);
sk.init_count();
assert_eq!(sk.seql(), len, "init_count altered seql for len={len}");
assert_eq!(sk.count(), 1);
}
}
#[test]
fn minimizer_pos_does_not_affect_sequence() {
let ascii = b"ACGTACGT".to_vec();
let mut sk = SuperKmer::from_ascii(&ascii);
sk.set_minimizer_pos(3);
assert_eq!(sk.to_ascii(), ascii);
}
// ── iter_kmers ────────────────────────────────────────────────────────────
#[test]
fn iter_kmers_count() {
let ascii = b"ACGTACGTACGT";
let sk = SuperKmer::from_ascii(ascii);
for k in [1usize, 3, 4, 5, 8, 12] {
let n = sk.iter_kmers(k).count();
assert_eq!(n, ascii.len() - k + 1, "count mismatch for k={k}");
}
}
#[test]
fn iter_kmers_first_is_kmer_0() {
let ascii = b"ACGTACGT";
let sk = SuperKmer::from_ascii(ascii);
for k in 1..=ascii.len() {
let first = sk.iter_kmers(k).next().unwrap();
assert_eq!(first, sk.kmer(0, k).unwrap(), "k={k}");
}
}
#[test]
fn iter_kmers_matches_kmer_at_each_position() {
let ascii = b"ACGTACGTACGT";
let sk = SuperKmer::from_ascii(ascii);
let k = 4;
let kmers: Vec<Kmer> = sk.iter_kmers(k).collect();
assert_eq!(kmers.len(), ascii.len() - k + 1);
for (i, &km) in kmers.iter().enumerate() {
assert_eq!(km, sk.kmer(i, k).unwrap(), "mismatch at pos {i}");
}
}
#[test]
fn iter_kmers_single_when_seql_eq_k() {
let ascii = b"ACGTACGT";
let sk = SuperKmer::from_ascii(ascii);
let k = ascii.len();
let kmers: Vec<Kmer> = sk.iter_kmers(k).collect();
assert_eq!(kmers.len(), 1);
assert_eq!(kmers[0], sk.kmer(0, k).unwrap());
}
#[test]
fn iter_kmers_two_when_seql_eq_k_plus_one() {
let ascii = b"ACGTACGT";
let sk = SuperKmer::from_ascii(ascii);
let k = ascii.len() - 1;
let kmers: Vec<Kmer> = sk.iter_kmers(k).collect();
assert_eq!(kmers.len(), 2);
assert_eq!(kmers[0], sk.kmer(0, k).unwrap());
assert_eq!(kmers[1], sk.kmer(1, k).unwrap());
}
#[test]
fn iter_kmers_all_k_values() {
// For every valid k, each yielded kmer must match kmer(i, k).
let ascii = b"ACGTACGTACGT";
let sk = SuperKmer::from_ascii(ascii);
let seql = ascii.len();
for k in 1..=seql {
let kmers: Vec<Kmer> = sk.iter_kmers(k).collect();
assert_eq!(kmers.len(), seql - k + 1, "k={k}");
for (i, &km) in kmers.iter().enumerate() {
assert_eq!(km, sk.kmer(i, k).unwrap(), "k={k}, pos={i}");
}
}
}
#[test]
fn iter_kmers_crosses_byte_boundary() {
// Positions 3→4 and 7→8 cross a 4-nucleotide byte boundary.
let ascii = b"ACGTACGTACGT";
let sk = SuperKmer::from_ascii(ascii);
let k = 3;
let kmers: Vec<Kmer> = sk.iter_kmers(k).collect();
for boundary in [3usize, 4, 7, 8] {
if boundary + 1 < kmers.len() {
assert_eq!(
kmers[boundary],
sk.kmer(boundary, k).unwrap(),
"pos={boundary}"
);
assert_eq!(
kmers[boundary + 1],
sk.kmer(boundary + 1, k).unwrap(),
"pos={}",
boundary + 1
);
}
}
}
#[test]
fn iter_kmers_k1_yields_all_nucleotides() {
let ascii = b"ACGT";
let sk = SuperKmer::from_ascii(ascii);
let kmers: Vec<Kmer> = sk.iter_kmers(1).collect();
assert_eq!(kmers.len(), 4);
for (i, &km) in kmers.iter().enumerate() {
assert_eq!(km, sk.kmer(i, 1).unwrap(), "pos={i}");
}
}
#[test]
fn iter_kmers_long_sequence() {
let ascii = make_seq(20);
let sk = SuperKmer::from_ascii(&ascii);
let k = 7;
let kmers: Vec<Kmer> = sk.iter_kmers(k).collect();
assert_eq!(kmers.len(), ascii.len() - k + 1);
for (i, &km) in kmers.iter().enumerate() {
assert_eq!(km, sk.kmer(i, k).unwrap(), "pos={i}");
}
}
}
#[path = "tests/superkmer.rs"]
mod tests;
+425
View File
@@ -0,0 +1,425 @@
use super::*;
/// Repeating ACGT pattern of the given length.
fn make_seq(len: usize) -> Vec<u8> {
(0..len).map(|i| b"ACGT"[i % 4]).collect()
}
/// Reference revcomp on ASCII bytes.
fn ascii_revcomp(seq: &[u8]) -> Vec<u8> {
seq.iter()
.rev()
.map(|&b| match b {
b'A' => b'T',
b'T' => b'A',
b'C' => b'G',
b'G' => b'C',
_ => b'A',
})
.collect()
}
fn all_lengths() -> impl Iterator<Item = usize> {
(1..=9).chain([255, 256])
}
// ── kmer extraction ───────────────────────────────────────────────────────
#[test]
fn kmer_first_matches_from_ascii() {
let ascii = b"ACGTACGT";
let sk = SuperKmer::from_ascii(ascii);
let k = 4;
let kmer = sk.kmer(0, k).unwrap();
let expected = crate::kmer::Kmer::from_ascii(&ascii[..k], k).unwrap();
assert_eq!(kmer, expected);
}
#[test]
fn kmer_last_position() {
let ascii = b"ACGTACGT";
let seql = ascii.len();
let k = 4;
let sk = SuperKmer::from_ascii(ascii);
let kmer = sk.kmer(seql - k, k).unwrap();
let expected = crate::kmer::Kmer::from_ascii(&ascii[seql - k..], k).unwrap();
assert_eq!(kmer, expected);
}
#[test]
fn kmer_all_positions() {
let ascii = b"ACGTACGTACGT";
let k = 4;
let sk = SuperKmer::from_ascii(ascii);
for i in 0..=ascii.len() - k {
let kmer = sk.kmer(i, k).unwrap();
let expected = crate::kmer::Kmer::from_ascii(&ascii[i..i + k], k).unwrap();
assert_eq!(kmer, expected, "mismatch at position {i}");
}
}
#[test]
fn kmer_out_of_bounds() {
let sk = SuperKmer::from_ascii(b"ACGT");
assert!(sk.kmer(2, 4).is_err()); // 2 + 4 > 4
assert!(sk.kmer(4, 1).is_err()); // 4 + 1 > 4
}
#[test]
fn kmer_invalid_k() {
let sk = SuperKmer::from_ascii(b"ACGT");
assert!(sk.kmer(0, 0).is_err());
assert!(sk.kmer(0, 33).is_err());
}
// ── canonical_kmer ────────────────────────────────────────────────────────
#[test]
fn canonical_kmer_is_min_of_kmer_and_revcomp() {
let sk = SuperKmer::from_ascii(b"ACGTACGT");
let k = 4;
for i in 0..=(sk.len() - k) {
let ck = sk.canonical_kmer(i, k).unwrap();
let fwd = sk.kmer(i, k).unwrap();
assert_eq!(ck, fwd.canonical(k));
}
}
#[test]
fn canonical_kmer_palindrome_unchanged() {
// ACGT is its own reverse complement
let sk = SuperKmer::from_ascii(b"ACGT");
let ck = sk.canonical_kmer(0, 4).unwrap();
let fwd = sk.kmer(0, 4).unwrap();
assert_eq!(ck, fwd);
}
#[test]
fn canonical_kmer_tttt_becomes_aaaa() {
let sk = SuperKmer::from_ascii(b"TTTT");
let ck = sk.canonical_kmer(0, 4).unwrap();
let expected = Kmer::from_ascii(b"AAAA", 4).unwrap();
assert_eq!(ck, expected);
}
#[test]
fn canonical_kmer_errors_propagate() {
let sk = SuperKmer::from_ascii(b"ACGT");
assert!(sk.canonical_kmer(2, 4).is_err()); // out of bounds
assert!(sk.canonical_kmer(0, 0).is_err()); // invalid k
}
// ── count ─────────────────────────────────────────────────────────────────
#[test]
fn count_starts_at_one() {
let sk = SuperKmer::from_ascii(b"ACGT");
assert_eq!(sk.count(), 1);
}
#[test]
fn increment_adds_one() {
let mut sk = SuperKmer::from_ascii(b"ACGT");
sk.increment();
assert_eq!(sk.count(), 2);
sk.increment();
assert_eq!(sk.count(), 3);
}
#[test]
fn add_increases_count() {
let mut sk = SuperKmer::from_ascii(b"ACGT");
sk.add(42);
assert_eq!(sk.count(), 43);
sk.add(8);
assert_eq!(sk.count(), 51);
}
#[test]
fn set_count_overwrites() {
let mut sk = SuperKmer::from_ascii(b"ACGT");
sk.add(100);
sk.set_count(7);
assert_eq!(sk.count(), 7);
}
#[test]
fn increment_preserves_seql() {
for len in all_lengths() {
let mut sk = SuperKmer::from_ascii(&make_seq(len));
sk.increment();
assert_eq!(sk.len(), len, "increment altered seql for len={len}");
}
}
#[test]
fn add_preserves_seql() {
for len in all_lengths() {
let mut sk = SuperKmer::from_ascii(&make_seq(len));
sk.add(1000);
assert_eq!(sk.len(), len, "add altered seql for len={len}");
}
}
#[test]
fn set_count_preserves_seql() {
for len in all_lengths() {
let mut sk = SuperKmer::from_ascii(&make_seq(len));
sk.set_count(999);
assert_eq!(sk.len(), len, "set_count altered seql for len={len}");
assert_eq!(sk.count(), 999);
}
}
#[test]
fn count_does_not_affect_sequence() {
let ascii = b"ACGTACGT".to_vec();
let mut sk = SuperKmer::from_ascii(&ascii);
sk.set_count(16_000_000);
assert_eq!(sk.to_ascii(), ascii);
}
// ── seql encoding ─────────────────────────────────────────────────────────
#[test]
fn seql_roundtrip() {
for len in all_lengths() {
let sk = SuperKmer::from_ascii(&make_seq(len));
assert_eq!(sk.len(), len, "seql() wrong for len={len}");
}
}
#[test]
fn seql_256_stored_as_zero() {
let sk = SuperKmer::from_ascii(&make_seq(256));
assert_eq!(sk.header.seql(), 0u8);
assert_eq!(sk.len(), 256);
}
// ── from_ascii / to_ascii roundtrip ───────────────────────────────────────
#[test]
fn ascii_roundtrip_all_lengths() {
for len in all_lengths() {
let ascii = make_seq(len);
let sk = SuperKmer::from_ascii(&ascii);
assert_eq!(sk.to_ascii(), ascii, "roundtrip failed for len={len}");
}
}
#[test]
fn ascii_roundtrip_all_bases() {
// Canonical form: min(seq, revcomp). G×4 flips to C×4, T×4 flips to A×4.
for (base, expected) in [(b'A', b'A'), (b'C', b'C'), (b'G', b'C'), (b'T', b'A')] {
let ascii = vec![base; 4];
let sk = SuperKmer::from_ascii(&ascii);
assert_eq!(sk.to_ascii(), vec![expected; 4]);
}
}
// ── revcomp correctness ───────────────────────────────────────────────────
/// Known (seq, expected_revcomp) pairs — one per shift value × two byte counts.
#[test]
fn revcomp_known_values() {
let cases = [
// shift=6
("A", "T"),
("ACGTA", "TACGT"),
// shift=4
("AC", "GT"),
("ACGTAC", "GTACGT"),
// shift=2
("ACG", "CGT"),
("ACGTACG", "CGTACGT"),
// shift=0
("ACGT", "ACGT"),
("ACGTACGT", "ACGTACGT"),
];
for (seq, expected) in cases {
let mut sk = SuperKmer::from_ascii(seq.as_bytes());
sk.revcomp();
assert_eq!(
sk.to_ascii(),
expected.as_bytes(),
"revcomp wrong for \"{seq}\""
);
}
}
#[test]
fn revcomp_vs_reference_all_lengths() {
for len in all_lengths() {
let ascii = make_seq(len);
let expected = ascii_revcomp(&ascii);
let mut sk = SuperKmer::from_ascii(&ascii);
sk.revcomp();
assert_eq!(sk.to_ascii(), expected, "revcomp wrong for len={len}");
}
}
#[test]
fn revcomp_involution_all_lengths() {
for len in all_lengths() {
let ascii = make_seq(len);
let mut sk = SuperKmer::from_ascii(&ascii);
sk.revcomp();
sk.revcomp();
assert_eq!(sk.to_ascii(), ascii, "revcomp∘revcomp≠id for len={len}");
}
}
// ── canonical ─────────────────────────────────────────────────────────────
#[test]
fn canonical_palindrome_unchanged() {
// ACGT is its own revcomp
let mut sk = SuperKmer::from_ascii(b"ACGT");
sk.canonical();
assert_eq!(sk.to_ascii(), b"ACGT");
}
#[test]
fn canonical_chooses_forward() {
// "AAAA" < "TTTT" → stays as-is
let mut sk = SuperKmer::from_ascii(b"AAAA");
sk.canonical();
assert_eq!(sk.to_ascii(), b"AAAA");
}
#[test]
fn canonical_chooses_revcomp() {
// "TTTT" > "AAAA" → flipped
let mut sk = SuperKmer::from_ascii(b"TTTT");
sk.canonical();
assert_eq!(sk.to_ascii(), b"AAAA");
}
#[test]
fn canonical_is_minimal_all_lengths() {
for len in all_lengths() {
let ascii = make_seq(len);
let mut sk = SuperKmer::from_ascii(&ascii);
sk.canonical();
let fwd = sk.to_ascii();
let rev = ascii_revcomp(&fwd);
assert!(fwd <= rev, "canonical not minimal for len={len}");
}
}
// ── iter_kmers ────────────────────────────────────────────────────────────
#[test]
fn iter_kmers_count() {
let ascii = b"ACGTACGTACGT";
let sk = SuperKmer::from_ascii(ascii);
for k in [1usize, 3, 4, 5, 8, 12] {
let n = sk.iter_kmers(k).count();
assert_eq!(n, ascii.len() - k + 1, "count mismatch for k={k}");
}
}
#[test]
fn iter_kmers_first_is_kmer_0() {
let ascii = b"ACGTACGT";
let sk = SuperKmer::from_ascii(ascii);
for k in 1..=ascii.len() {
let first = sk.iter_kmers(k).next().unwrap();
assert_eq!(first, sk.kmer(0, k).unwrap(), "k={k}");
}
}
#[test]
fn iter_kmers_matches_kmer_at_each_position() {
let ascii = b"ACGTACGTACGT";
let sk = SuperKmer::from_ascii(ascii);
let k = 4;
let kmers: Vec<Kmer> = sk.iter_kmers(k).collect();
assert_eq!(kmers.len(), ascii.len() - k + 1);
for (i, &km) in kmers.iter().enumerate() {
assert_eq!(km, sk.kmer(i, k).unwrap(), "mismatch at pos {i}");
}
}
#[test]
fn iter_kmers_single_when_seql_eq_k() {
let ascii = b"ACGTACGT";
let sk = SuperKmer::from_ascii(ascii);
let k = ascii.len();
let kmers: Vec<Kmer> = sk.iter_kmers(k).collect();
assert_eq!(kmers.len(), 1);
assert_eq!(kmers[0], sk.kmer(0, k).unwrap());
}
#[test]
fn iter_kmers_two_when_seql_eq_k_plus_one() {
let ascii = b"ACGTACGT";
let sk = SuperKmer::from_ascii(ascii);
let k = ascii.len() - 1;
let kmers: Vec<Kmer> = sk.iter_kmers(k).collect();
assert_eq!(kmers.len(), 2);
assert_eq!(kmers[0], sk.kmer(0, k).unwrap());
assert_eq!(kmers[1], sk.kmer(1, k).unwrap());
}
#[test]
fn iter_kmers_all_k_values() {
// For every valid k, each yielded kmer must match kmer(i, k).
let ascii = b"ACGTACGTACGT";
let sk = SuperKmer::from_ascii(ascii);
let seql = ascii.len();
for k in 1..=seql {
let kmers: Vec<Kmer> = sk.iter_kmers(k).collect();
assert_eq!(kmers.len(), seql - k + 1, "k={k}");
for (i, &km) in kmers.iter().enumerate() {
assert_eq!(km, sk.kmer(i, k).unwrap(), "k={k}, pos={i}");
}
}
}
#[test]
fn iter_kmers_crosses_byte_boundary() {
// Positions 3→4 and 7→8 cross a 4-nucleotide byte boundary.
let ascii = b"ACGTACGTACGT";
let sk = SuperKmer::from_ascii(ascii);
let k = 3;
let kmers: Vec<Kmer> = sk.iter_kmers(k).collect();
for boundary in [3usize, 4, 7, 8] {
if boundary + 1 < kmers.len() {
assert_eq!(
kmers[boundary],
sk.kmer(boundary, k).unwrap(),
"pos={boundary}"
);
assert_eq!(
kmers[boundary + 1],
sk.kmer(boundary + 1, k).unwrap(),
"pos={}",
boundary + 1
);
}
}
}
#[test]
fn iter_kmers_k1_yields_all_nucleotides() {
let ascii = b"ACGT";
let sk = SuperKmer::from_ascii(ascii);
let kmers: Vec<Kmer> = sk.iter_kmers(1).collect();
assert_eq!(kmers.len(), 4);
for (i, &km) in kmers.iter().enumerate() {
assert_eq!(km, sk.kmer(i, 1).unwrap(), "pos={i}");
}
}
#[test]
fn iter_kmers_long_sequence() {
let ascii = make_seq(20);
let sk = SuperKmer::from_ascii(&ascii);
let k = 7;
let kmers: Vec<Kmer> = sk.iter_kmers(k).collect();
assert_eq!(kmers.len(), ascii.len() - k + 1);
for (i, &km) in kmers.iter().enumerate() {
assert_eq!(km, sk.kmer(i, k).unwrap(), "pos={i}");
}
}
+8 -5
View File
@@ -4,6 +4,8 @@
//! at the MSB of `seq[0]`, 4 bases per byte — but without the 256-nucleotide
//! length cap and without the scatter/count header payload.
use std::io::{self, Write};
use crate::encoding::{DEC4, encode_base};
use crate::kmer::{Kmer, KmerError};
use crate::revcomp_lookup::REVCOMP4;
@@ -101,23 +103,24 @@ impl Unitig {
(self.seq[i / 4] >> (6 - 2 * (i % 4))) & 0b11
}
/// Decode into ASCII nucleotides, appending into `buf`.
pub fn write_ascii(&self, buf: &mut Vec<u8>) {
/// Decode into ASCII nucleotides, writing into `writer`.
pub fn write_ascii<W: Write>(&self, writer: &mut W) -> io::Result<()> {
let full = self.seql / 4;
for i in 0..full {
buf.extend_from_slice(&DEC4[self.seq[i] as usize].to_be_bytes());
writer.write_all(&DEC4[self.seq[i] as usize].to_be_bytes())?;
}
let rem = self.seql % 4;
if rem > 0 {
let bytes = DEC4[self.seq[full] as usize].to_be_bytes();
buf.extend_from_slice(&bytes[..rem]);
writer.write_all(&bytes[..rem])?;
}
Ok(())
}
/// Decode into a fresh ASCII `Vec<u8>`.
pub fn to_ascii(&self) -> Vec<u8> {
let mut buf = Vec::with_capacity(self.seql);
self.write_ascii(&mut buf);
self.write_ascii(&mut buf).unwrap();
buf
}