feat: add benchmark pipeline, expose APIs, and enforce strict paths

Introduces a Make-based orchestration for simulating, indexing, merging, filtering, and verifying k-mer counts and presence. Exposes internal builder and iterator APIs publicly, enforces mandatory leading slashes for predicate patterns, registers the `obitaxonomy` crate, and updates tooling configurations alongside documentation.

benchmark/build_reference.py

@@ -0,0 +1,137 @@
+#!/usr/bin/env python3
+"""Build a reference kmer index from paired-end FASTQ reads.
+
+Extracts canonical kmers — min(kmer, revcomp(kmer)) encoded as uint64 —
+counts their abundances, and saves a sorted numpy pair (kmers, counts).
+
+Output .npz arrays
+  kmers  : uint64, sorted ascending — canonical kmer integers
+  counts : uint32, same order      — raw read abundances
+"""
+import argparse
+import gzip
+import sys
+from collections import defaultdict
+
+import numpy as np
+
+
+# ── encoding ────────────────────────────────────────────────────────────────
+
+_ENCODE = {'A': 0, 'C': 1, 'G': 2, 'T': 3,
+           'a': 0, 'c': 1, 'g': 2, 't': 3}
+
+# Lookup table: revcomp of one byte (4 bases, 8 bits).
+# Precomputed once at import time.
+_REVCOMP8 = [0] * 256
+for _i in range(256):
+    _rc, _x = 0, _i
+    for _ in range(4):
+        _rc = (_rc << 2) | (3 - (_x & 3))
+        _x >>= 2
+    _REVCOMP8[_i] = _rc
+del _i, _rc, _x
+
+
+def revcomp_int(kmer: int, k: int) -> int:
+    """Reverse-complement of a kmer encoded as an integer (2 bits/base).
+
+    Uses byte-level lookup (4 bases at a time) for speed.
+    """
+    rc = 0
+    bits_left = 2 * k
+    while bits_left > 0:
+        chunk = min(8, bits_left)
+        rc_byte = _REVCOMP8[kmer & 0xFF] >> (8 - chunk)
+        rc = (rc << chunk) | rc_byte
+        kmer >>= chunk
+        bits_left -= chunk
+    return rc
+
+
+# ── FASTQ parsing ────────────────────────────────────────────────────────────
+
+def iter_sequences(path: str):
+    """Yield raw sequences from a (gzipped) FASTQ file."""
+    opener = gzip.open if path.endswith('.gz') else open
+    with opener(path, 'rt') as fh:
+        while True:
+            if not fh.readline():   # '@' header
+                break
+            seq = fh.readline().rstrip('\n')
+            fh.readline()           # '+'
+            fh.readline()           # quality
+            yield seq
+
+
+# ── kmer counting ────────────────────────────────────────────────────────────
+
+def count_kmers(paths: list[str], k: int) -> dict[int, int]:
+    mask = (1 << (2 * k)) - 1
+    counts: dict[int, int] = defaultdict(int)
+    n_reads = 0
+
+    for path in paths:
+        for seq in iter_sequences(path):
+            n_reads += 1
+            kmer = 0
+            run = 0          # consecutive valid bases
+
+            for c in seq:
+                b = _ENCODE.get(c)
+                if b is None:    # N or unexpected character → reset
+                    kmer = 0
+                    run = 0
+                    continue
+                kmer = ((kmer << 2) | b) & mask
+                run += 1
+                if run >= k:
+                    rc = revcomp_int(kmer, k)
+                    counts[kmer if kmer <= rc else rc] += 1
+
+            if n_reads % 100_000 == 0:
+                print(f'  {n_reads:,} reads processed, '
+                      f'{len(counts):,} distinct kmers so far',
+                      file=sys.stderr)
+
+    print(f'  {n_reads:,} reads total, {len(counts):,} distinct kmers',
+          file=sys.stderr)
+    return counts
+
+
+# ── main ─────────────────────────────────────────────────────────────────────
+
+def main() -> None:
+    ap = argparse.ArgumentParser(description=__doc__,
+                                 formatter_class=argparse.RawDescriptionHelpFormatter)
+    ap.add_argument('reads', nargs='+', metavar='FASTQ',
+                    help='Input reads (FASTQ, gzip OK)')
+    ap.add_argument('-k', '--kmer-size', type=int, default=31,
+                    metavar='K')
+    ap.add_argument('--min-abundance', type=int, default=1,
+                    metavar='N', help='Drop kmers with count < N (default 1)')
+    ap.add_argument('-o', '--output', required=True,
+                    metavar='FILE', help='Output .npz path')
+    args = ap.parse_args()
+
+    print(f'k={args.kmer_size}  files={len(args.reads)}', file=sys.stderr)
+    counts = count_kmers(args.reads, args.kmer_size)
+
+    if args.min_abundance > 1:
+        before = len(counts)
+        counts = {k: v for k, v in counts.items() if v >= args.min_abundance}
+        print(f'  min-abundance={args.min_abundance}: '
+              f'{before - len(counts):,} kmers dropped, '
+              f'{len(counts):,} retained',
+              file=sys.stderr)
+
+    print(f'Sorting and saving → {args.output}', file=sys.stderr)
+    kmers_arr  = np.fromiter(sorted(counts), dtype=np.uint64, count=len(counts))
+    counts_arr = np.array([counts[int(k)] for k in kmers_arr], dtype=np.uint32)
+
+    np.savez_compressed(args.output, kmers=kmers_arr, counts=counts_arr)
+    print(f'Done  {len(kmers_arr):,} kmers  →  {args.output}', file=sys.stderr)
+
+
+if __name__ == '__main__':
+    main()