.gitignore

@@ -17,5 +17,7 @@ benchmark/global_index_presence
 benchmark/global_index_count
 benchmark/stats
 benchmark/reference_index
+benchmark/reference_dist
+benchmark/obikmer_dist
 benchmark/specific_index_count
 benchmark/specific_index_presence

benchmark/Makefile

@@ -10,6 +10,23 @@ GENOMES := $(wildcard genomes/*.fna.gz)
 -include deps.mk
 
 REF_NPZS              := $(SPECIMENS:%=reference_index/%.npz)
+REF_DIST_CSVS         := $(addprefix reference_dist/, \
+	shared_kmers.csv hamming_dist.csv jaccard_dist.csv \
+	bray_curtis_dist.csv relfreq_bray_curtis_dist.csv \
+	euclidean_dist.csv relfreq_euclidean_dist.csv \
+	hellinger_dist.csv hellinger_euclidean_dist.csv)
+OBIKMER_PRESENCE_DIST := $(addprefix obikmer_dist/presence/, \
+	jaccard_dist.csv jaccard_shared.csv jaccard_nj.nwk \
+	hamming_dist.csv hamming_nj.nwk)
+OBIKMER_COUNT_DIST    := $(addprefix obikmer_dist/count/, \
+	jaccard_dist.csv jaccard_shared.csv jaccard_nj.nwk \
+	bray_curtis_dist.csv bray_curtis_nj.nwk \
+	relfreq_bray_curtis_dist.csv relfreq_bray_curtis_nj.nwk \
+	euclidean_dist.csv euclidean_nj.nwk \
+	relfreq_euclidean_dist.csv relfreq_euclidean_nj.nwk \
+	hellinger_dist.csv hellinger_nj.nwk \
+	hellinger_euclidean_dist.csv hellinger_euclidean_nj.nwk)
+DIST_COMPARISON       := stats/dist_comparison/summary.csv
 PRESENCE_DONE         := $(SPECIMENS:%=specimen_index_presence/%/index.done)
 PRESENCE_STATS        := $(SPECIMENS:%=stats/indexing_presence/%.stats)
 COUNT_DONE            := $(SPECIMENS:%=specimen_index_count/%/index.done)
@@ -24,7 +41,9 @@ SIMULATED_READS := $(foreach s,$(SPECIMENS),simulated_data/$(subst --,/,$s)/read
 
 .NOTPARALLEL:
 
-.PHONY: all simulate reference \
+.PHONY: all simulate reference reference_dist \
+        obikmer_dist obikmer_dist_presence obikmer_dist_count \
+        dist_comparison \
         index_presence index_count \
         aggregate_index_presence aggregate_index_count \
         merge_presence merge_count \
@@ -39,7 +58,8 @@ verify_merge_count:    stats/verify_merge_count/current.csv
 
 all: aggregate_verify_presence aggregate_verify_count \
      verify_merge_presence verify_merge_count \
-     aggregate_filter_presence aggregate_filter_count
+     aggregate_filter_presence aggregate_filter_count \
+     dist_comparison
 
 # ── dependency file ───────────────────────────────────────────────────────────
 
@@ -62,6 +82,72 @@ reference_index/%.npz:
 
 reference: $(REF_NPZS)
 
+# ── reference distance matrices ───────────────────────────────────────────────
+
+$(REF_DIST_CSVS) &: $(REF_NPZS) build_reference_dist.py
+	$(VENV_PY) build_reference_dist.py
+
+reference_dist: $(REF_DIST_CSVS)
+
+# ── obikmer distance (presence index) ────────────────────────────────────────
+
+$(OBIKMER_PRESENCE_DIST) &: global_index_presence/index.done $(BINARY)
+	mkdir -p obikmer_dist/presence
+	$(BINARY) distance \
+		--output obikmer_dist/presence/jaccard \
+		--metric jaccard --shared-kmers --nj \
+		global_index_presence
+	$(BINARY) distance \
+		--output obikmer_dist/presence/hamming \
+		--metric hamming --nj \
+		global_index_presence
+
+obikmer_dist_presence: $(OBIKMER_PRESENCE_DIST)
+
+# ── obikmer distance (count index) ───────────────────────────────────────────
+
+$(OBIKMER_COUNT_DIST) &: global_index_count/index.done $(BINARY)
+	mkdir -p obikmer_dist/count
+	$(BINARY) distance \
+		--output obikmer_dist/count/jaccard \
+		--metric jaccard --shared-kmers --nj \
+		global_index_count
+	$(BINARY) distance \
+		--output obikmer_dist/count/bray_curtis \
+		--metric bray-curtis --nj \
+		global_index_count
+	$(BINARY) distance \
+		--output obikmer_dist/count/relfreq_bray_curtis \
+		--metric relfreq-bray-curtis --nj \
+		global_index_count
+	$(BINARY) distance \
+		--output obikmer_dist/count/euclidean \
+		--metric euclidean --nj \
+		global_index_count
+	$(BINARY) distance \
+		--output obikmer_dist/count/relfreq_euclidean \
+		--metric relfreq-euclidean --nj \
+		global_index_count
+	$(BINARY) distance \
+		--output obikmer_dist/count/hellinger \
+		--metric hellinger --nj \
+		global_index_count
+	$(BINARY) distance \
+		--output obikmer_dist/count/hellinger_euclidean \
+		--metric hellinger-euclidean --nj \
+		global_index_count
+
+obikmer_dist_count: $(OBIKMER_COUNT_DIST)
+
+obikmer_dist: obikmer_dist_presence obikmer_dist_count
+
+# ── distance comparison ───────────────────────────────────────────────────────
+
+$(DIST_COMPARISON): $(REF_DIST_CSVS) $(OBIKMER_PRESENCE_DIST) $(OBIKMER_COUNT_DIST) compare_all_dist.py
+	$(VENV_PY) compare_all_dist.py --out $(DIST_COMPARISON)
+
+dist_comparison: $(DIST_COMPARISON)
+
 # ── per-specimen indexing ─────────────────────────────────────────────────────
 # Prerequisites (reads → index.done + .stats) are in deps.mk.
 

benchmark/build_reference_dist.py

@@ -0,0 +1,226 @@
+#!/usr/bin/env python3
+"""Compute reference pairwise distance matrices from per-specimen .npz kmer indexes.
+
+Reads all .npz files in reference_index/ (each containing sorted uint64 `kmers`
+and uint32 `counts`), computes all distance metrics supported by `obikmer distance`,
+and writes one CSV per metric to reference_dist/.
+
+Output CSV format matches `obikmer distance --output`:
+  - first row: "genome", then specimen names
+  - subsequent rows: specimen name, then float or int values
+
+Metrics written
+  jaccard_dist.csv          Jaccard distance (presence/absence)
+  shared_kmers.csv          Shared-kmer count matrix (intersection size)
+  bray_curtis_dist.csv      Bray-Curtis dissimilarity (raw counts)
+  relfreq_bray_curtis_dist.csv  Bray-Curtis on relative frequencies
+  euclidean_dist.csv        Euclidean distance (raw counts)
+  relfreq_euclidean_dist.csv    Euclidean distance on relative frequencies
+  hellinger_dist.csv        Hellinger distance
+  hellinger_euclidean_dist.csv  Euclidean distance in Hellinger space
+"""
+import argparse
+import sys
+from pathlib import Path
+
+import numpy as np
+
+
+# ── pairwise helpers ──────────────────────────────────────────────────────────
+
+def shared_indices(a_kmers: np.ndarray, b_kmers: np.ndarray):
+    """Return index arrays (idx_a, idx_b) for kmers present in both sets.
+
+    Both arrays must be sorted uint64. Uses searchsorted: O(|B| log |A|).
+    """
+    pos = np.searchsorted(a_kmers, b_kmers)
+    pos = np.clip(pos, 0, len(a_kmers) - 1)
+    mask = a_kmers[pos] == b_kmers
+    idx_b = np.where(mask)[0]
+    idx_a = pos[idx_b]
+    return idx_a, idx_b
+
+
+def pairwise_stats(specimens: list[dict]) -> dict[str, np.ndarray]:
+    """Compute all pairwise distance matrices at once.
+
+    Returns a dict metric_name → ndarray (n×n float64 or int64).
+    Each specimen dict has keys: name, kmers, counts.
+    """
+    n = len(specimens)
+
+    # Pre-compute per-specimen scalars
+    kmer_counts = np.array([len(s['kmers'])  for s in specimens], dtype=np.uint64)
+    count_sums  = np.array([s['counts'].sum() for s in specimens], dtype=np.uint64)
+
+    # Per-specimen sum-of-squares (for Euclidean decomposition)
+    sq_sums     = np.array([(s['counts'].astype(np.float64) ** 2).sum() for s in specimens])
+
+    # Allocate output matrices
+    shared_mat     = np.zeros((n, n), dtype=np.uint64)
+    hamming_mat    = np.zeros((n, n), dtype=np.float64)
+    jaccard_mat    = np.zeros((n, n), dtype=np.float64)
+    bray_mat       = np.zeros((n, n), dtype=np.float64)
+    relfreq_bray   = np.zeros((n, n), dtype=np.float64)
+    euclidean_mat  = np.zeros((n, n), dtype=np.float64)
+    relfreq_eucl   = np.zeros((n, n), dtype=np.float64)
+    hellinger_mat  = np.zeros((n, n), dtype=np.float64)
+    hell_eucl_mat  = np.zeros((n, n), dtype=np.float64)
+
+    for i in range(n):
+        a_km = specimens[i]['kmers']
+        a_ct = specimens[i]['counts'].astype(np.float64)
+        sa   = float(count_sums[i])
+        na   = int(kmer_counts[i])
+
+        for j in range(i + 1, n):
+            b_km = specimens[j]['kmers']
+            b_ct = specimens[j]['counts'].astype(np.float64)
+            sb   = float(count_sums[j])
+            nb   = int(kmer_counts[j])
+
+            idx_a, idx_b = shared_indices(a_km, b_km)
+            inter = len(idx_a)
+
+            ca_sh = a_ct[idx_a]
+            cb_sh = b_ct[idx_b]
+
+            # ── Presence metrics ──────────────────────────────────────────────
+
+            union   = na + nb - inter
+            jac     = (1.0 - inter / union) if union else 0.0
+            hamming = float(na + nb - 2 * inter)  # |A Δ B|
+
+            # ── Count metrics ─────────────────────────────────────────────────
+
+            # Bray-Curtis: 1 - 2*Σmin(a,b) / (Σa + Σb)
+            sum_min = np.minimum(ca_sh, cb_sh).sum()
+            denom_bc = sa + sb
+            bc = (1.0 - 2.0 * sum_min / denom_bc) if denom_bc else 0.0
+
+            # RelfreqBray: 1 - Σmin(a/sa, b/sb)  [only shared contribute]
+            if sa and sb:
+                rfb = 1.0 - np.minimum(ca_sh / sa, cb_sh / sb).sum()
+            else:
+                rfb = 0.0
+
+            # Euclidean: √(Σa² + Σb² - 2·Σ(a·b)_shared)
+            cross = (ca_sh * cb_sh).sum()
+            eucl_partial = sq_sums[i] + sq_sums[j] - 2.0 * cross
+            eucl = np.sqrt(max(eucl_partial, 0.0))
+
+            # RelfreqEuclidean: √(Σ(a/sa - b/sb)²)
+            # = √(Σa²/sa² + Σb²/sb² - 2·Σ(a·b)_shared/(sa·sb))
+            if sa and sb:
+                rf_cross = (ca_sh / sa * (cb_sh / sb)).sum()
+                rfe_partial = (sq_sums[i] / sa**2
+                               + sq_sums[j] / sb**2
+                               - 2.0 * rf_cross)
+                rfe = np.sqrt(max(rfe_partial, 0.0))
+            else:
+                rfe = 0.0
+
+            # Hellinger partial: Σ(√(a/sa) - √(b/sb))² over global universe
+            # = 2 - 2·Σ√(a·b)_shared / √(sa·sb)
+            if sa and sb:
+                bc_coeff = np.sqrt(ca_sh * cb_sh).sum() / np.sqrt(sa * sb)
+                hell_partial = max(2.0 - 2.0 * bc_coeff, 0.0)
+            else:
+                hell_partial = 0.0
+
+            sq2 = np.sqrt(2.0)
+            hell     = np.sqrt(hell_partial) / sq2
+            hell_euc = np.sqrt(hell_partial)
+
+            # ── Fill symmetric matrices ───────────────────────────────────────
+            for mat, val in [
+                (shared_mat,    inter),
+                (hamming_mat,   hamming),
+                (jaccard_mat,   jac),
+                (bray_mat,      bc),
+                (relfreq_bray,  rfb),
+                (euclidean_mat, eucl),
+                (relfreq_eucl,  rfe),
+                (hellinger_mat, hell),
+                (hell_eucl_mat, hell_euc),
+            ]:
+                mat[i, j] = val
+                mat[j, i] = val
+
+    return {
+        'shared_kmers':               shared_mat,
+        'hamming_dist':               hamming_mat,
+        'jaccard_dist':               jaccard_mat,
+        'bray_curtis_dist':           bray_mat,
+        'relfreq_bray_curtis_dist':   relfreq_bray,
+        'euclidean_dist':             euclidean_mat,
+        'relfreq_euclidean_dist':     relfreq_eucl,
+        'hellinger_dist':             hellinger_mat,
+        'hellinger_euclidean_dist':   hell_eucl_mat,
+    }
+
+
+# ── I/O ───────────────────────────────────────────────────────────────────────
+
+def write_csv(path: Path, labels: list[str], mat: np.ndarray, fmt: str) -> None:
+    with path.open('w') as fh:
+        fh.write('genome,' + ','.join(labels) + '\n')
+        for i, label in enumerate(labels):
+            row = ','.join(format(mat[i, j], fmt) for j in range(len(labels)))
+            fh.write(f'{label},{row}\n')
+    print(f'  → {path}', file=sys.stderr)
+
+
+# ── main ─────────────────────────────────────────────────────────────────────
+
+def main() -> None:
+    ap = argparse.ArgumentParser(description=__doc__,
+                                 formatter_class=argparse.RawDescriptionHelpFormatter)
+    ap.add_argument('--ref-dir', default='reference_index',
+                    help='Directory with per-specimen .npz files (default: reference_index)')
+    ap.add_argument('--out-dir', default='reference_dist',
+                    help='Output directory for CSV files (default: reference_dist)')
+    args = ap.parse_args()
+
+    ref_dir = Path(args.ref_dir)
+    out_dir = Path(args.out_dir)
+    out_dir.mkdir(exist_ok=True)
+
+    npz_files = sorted(ref_dir.glob('*.npz'))
+    if not npz_files:
+        print(f'ERROR: no .npz files found in {ref_dir}', file=sys.stderr)
+        sys.exit(1)
+
+    print(f'Loading {len(npz_files)} specimen(s) from {ref_dir}/', file=sys.stderr)
+    specimens = []
+    for f in npz_files:
+        data = np.load(f)
+        specimens.append({
+            'name':   f.stem,
+            'kmers':  data['kmers'],
+            'counts': data['counts'],
+        })
+        print(f'  {f.stem}: {len(data["kmers"]):,} kmers', file=sys.stderr)
+
+    labels = [s['name'] for s in specimens]
+    n = len(labels)
+    print(f'\nComputing pairwise distances for {n} specimens…', file=sys.stderr)
+
+    matrices = pairwise_stats(specimens)
+
+    print(f'\nWriting CSVs to {out_dir}/', file=sys.stderr)
+    write_csv(out_dir / 'shared_kmers.csv',             labels, matrices['shared_kmers'],             'd')
+    write_csv(out_dir / 'hamming_dist.csv',             labels, matrices['hamming_dist'],             '.6f')
+    write_csv(out_dir / 'jaccard_dist.csv',             labels, matrices['jaccard_dist'],             '.6f')
+    write_csv(out_dir / 'bray_curtis_dist.csv',         labels, matrices['bray_curtis_dist'],         '.6f')
+    write_csv(out_dir / 'relfreq_bray_curtis_dist.csv', labels, matrices['relfreq_bray_curtis_dist'], '.6f')
+    write_csv(out_dir / 'euclidean_dist.csv',           labels, matrices['euclidean_dist'],           '.6f')
+    write_csv(out_dir / 'relfreq_euclidean_dist.csv',   labels, matrices['relfreq_euclidean_dist'],   '.6f')
+    write_csv(out_dir / 'hellinger_dist.csv',           labels, matrices['hellinger_dist'],           '.6f')
+    write_csv(out_dir / 'hellinger_euclidean_dist.csv', labels, matrices['hellinger_euclidean_dist'], '.6f')
+
+    print('\nDone.', file=sys.stderr)
+
+
+if __name__ == '__main__':
+    main()

benchmark/compare_all_dist.py

@@ -0,0 +1,182 @@
+#!/usr/bin/env python3
+"""Compare all reference distance matrices against obikmer distance outputs.
+
+Reads from:
+  reference_dist/   — ground-truth matrices computed by build_reference_dist.py
+  obikmer_dist/     — matrices produced by `obikmer distance`
+
+Handles label reordering: both matrices are sorted by genome label before
+element-wise comparison, so column/row order differences are irrelevant.
+
+Output: stats/dist_comparison/summary.csv
+  comparison,max_abs,mean_abs,rmse,n_pairs,status
+"""
+import csv
+import sys
+from pathlib import Path
+
+import numpy as np
+
+
+# ── CSV loading ───────────────────────────────────────────────────────────────
+
+def load_matrix(path: Path) -> tuple[list[str], np.ndarray]:
+    """Load a distance-matrix CSV; return (sorted_labels, matrix_float64)."""
+    with path.open() as fh:
+        reader = csv.reader(fh)
+        header = next(reader)[1:]     # skip 'genome' column
+        raw: dict[str, list[float]] = {}
+        for row in reader:
+            raw[row[0]] = [float(x) for x in row[1:]]
+
+    label_to_col = {h: i for i, h in enumerate(header)}
+    labels = sorted(raw.keys())
+    n = len(labels)
+    mat = np.zeros((n, n), dtype=np.float64)
+    for i, ri in enumerate(labels):
+        for j, cj in enumerate(labels):
+            mat[i, j] = raw[ri][label_to_col[cj]]
+    return labels, mat
+
+
+# ── comparison ────────────────────────────────────────────────────────────────
+
+def compare(label: str,
+            ref_path: Path,
+            obi_path: Path,
+            tol: float = 1e-4) -> dict:
+    if not ref_path.exists():
+        return {'comparison': label, 'status': 'REF_MISSING',
+                'max_abs': '', 'mean_abs': '', 'rmse': '', 'n_pairs': ''}
+    if not obi_path.exists():
+        return {'comparison': label, 'status': 'OBI_MISSING',
+                'max_abs': '', 'mean_abs': '', 'rmse': '', 'n_pairs': ''}
+
+    ref_labels, ref_mat = load_matrix(ref_path)
+    obi_labels, obi_mat = load_matrix(obi_path)
+
+    if ref_labels != obi_labels:
+        only_ref = sorted(set(ref_labels) - set(obi_labels))
+        only_obi = sorted(set(obi_labels) - set(ref_labels))
+        print(f'  [{label}] label mismatch — '
+              f'only_ref={only_ref}  only_obi={only_obi}', file=sys.stderr)
+        return {'comparison': label, 'status': 'LABEL_MISMATCH',
+                'max_abs': '', 'mean_abs': '', 'rmse': '', 'n_pairs': ''}
+
+    n = len(ref_labels)
+    # Off-diagonal mask
+    mask = ~np.eye(n, dtype=bool)
+    diff = np.abs(ref_mat[mask] - obi_mat[mask])
+    n_pairs = diff.size
+
+    max_abs  = float(diff.max())
+    mean_abs = float(diff.mean())
+    rmse     = float(np.sqrt((diff ** 2).mean()))
+    status   = 'PASS' if max_abs <= tol else 'FAIL'
+
+    print(f'  [{label}] n={n_pairs}  '
+          f'max={max_abs:.3e}  mean={mean_abs:.3e}  rmse={rmse:.3e}  {status}',
+          file=sys.stderr)
+    return {
+        'comparison': label,
+        'max_abs':    f'{max_abs:.6e}',
+        'mean_abs':   f'{mean_abs:.6e}',
+        'rmse':       f'{rmse:.6e}',
+        'n_pairs':    str(n_pairs),
+        'status':     status,
+    }
+
+
+# ── comparison table ──────────────────────────────────────────────────────────
+
+# (label, ref_csv, obikmer_csv)
+# The reference jaccard/shared is presence-based, which should match both
+# presence/jaccard and count/jaccard (threshold=1).
+COMPARISONS = [
+    # ── presence index ────────────────────────────────────────────────────────
+    ('presence/jaccard_dist',
+     'reference_dist/jaccard_dist.csv',
+     'obikmer_dist/presence/jaccard_dist.csv'),
+
+    ('presence/jaccard_shared',
+     'reference_dist/shared_kmers.csv',
+     'obikmer_dist/presence/jaccard_shared.csv'),
+
+    ('presence/hamming_dist',
+     'reference_dist/hamming_dist.csv',
+     'obikmer_dist/presence/hamming_dist.csv'),
+
+    # ── count index (jaccard cross-check) ─────────────────────────────────────
+    ('count/jaccard_dist',
+     'reference_dist/jaccard_dist.csv',
+     'obikmer_dist/count/jaccard_dist.csv'),
+
+    ('count/jaccard_shared',
+     'reference_dist/shared_kmers.csv',
+     'obikmer_dist/count/jaccard_shared.csv'),
+
+    # ── count index (count-based metrics) ────────────────────────────────────
+    ('count/bray_curtis_dist',
+     'reference_dist/bray_curtis_dist.csv',
+     'obikmer_dist/count/bray_curtis_dist.csv'),
+
+    ('count/relfreq_bray_curtis_dist',
+     'reference_dist/relfreq_bray_curtis_dist.csv',
+     'obikmer_dist/count/relfreq_bray_curtis_dist.csv'),
+
+    ('count/euclidean_dist',
+     'reference_dist/euclidean_dist.csv',
+     'obikmer_dist/count/euclidean_dist.csv'),
+
+    ('count/relfreq_euclidean_dist',
+     'reference_dist/relfreq_euclidean_dist.csv',
+     'obikmer_dist/count/relfreq_euclidean_dist.csv'),
+
+    ('count/hellinger_dist',
+     'reference_dist/hellinger_dist.csv',
+     'obikmer_dist/count/hellinger_dist.csv'),
+
+    ('count/hellinger_euclidean_dist',
+     'reference_dist/hellinger_euclidean_dist.csv',
+     'obikmer_dist/count/hellinger_euclidean_dist.csv'),
+]
+
+
+# ── main ─────────────────────────────────────────────────────────────────────
+
+def main() -> None:
+    import argparse
+    ap = argparse.ArgumentParser(description=__doc__,
+                                 formatter_class=argparse.RawDescriptionHelpFormatter)
+    ap.add_argument('--tol', type=float, default=1e-4,
+                    help='Max abs diff threshold for PASS/FAIL (default 1e-4)')
+    ap.add_argument('--out', default='stats/dist_comparison/summary.csv',
+                    help='Output summary CSV path')
+    args = ap.parse_args()
+
+    out_path = Path(args.out)
+    out_path.parent.mkdir(parents=True, exist_ok=True)
+
+    print(f'Comparing {len(COMPARISONS)} matrix pairs…', file=sys.stderr)
+    rows = []
+    for label, ref, obi in COMPARISONS:
+        rows.append(compare(label, Path(ref), Path(obi), tol=args.tol))
+
+    fields = ['comparison', 'max_abs', 'mean_abs', 'rmse', 'n_pairs', 'status']
+    with out_path.open('w', newline='') as fh:
+        w = csv.DictWriter(fh, fieldnames=fields)
+        w.writeheader()
+        w.writerows(rows)
+
+    print(f'\n→ {out_path}', file=sys.stderr)
+
+    n_fail = sum(1 for r in rows if r.get('status') == 'FAIL')
+    n_pass = sum(1 for r in rows if r.get('status') == 'PASS')
+    print(f'Summary: {n_pass} PASS  {n_fail} FAIL  '
+          f'{len(rows) - n_pass - n_fail} SKIP', file=sys.stderr)
+    if n_fail:
+        sys.exit(1)
+
+
+if __name__ == '__main__':
+    main()

benchmark/test_dist.csv

@@ -0,0 +1,21 @@
+genome,Candidozyma_auris--GCF_003013715.1_ASM301371v2,Acidobacterium_capsulatum--ATCC_51196,Bacillus_subtilis--168,Escherichia_coli--CFT073,Escherichia_coli--EDL933,Escherichia_coli--K-12_MG1655,Escherichia_coli--K-12_W3110,Klebsiella_pneumoniae--ATCC_13883,Klebsiella_pneumoniae--HS11286,Klebsiella_pneumoniae--MGH_78578,Opitutus_terrae--PB90-1,Proteus_mirabilis--HI4320,Saccharolobus_islandicus--M.16.4,Salmonella_enterica--AKU_12601,Salmonella_enterica--CT18,Salmonella_enterica--LT2,Salmonella_enterica--P125109,Shouchella_clausii--KSM-K16,Wolbachia_endosymbiont--GCF_000306885.1_ASM30688v1,Yersinia_ruckeri--YRB
+Candidozyma_auris--GCF_003013715.1_ASM301371v2,0.000000,1.000000,1.000000,1.000000,1.000000,1.000000,1.000000,1.000000,1.000000,1.000000,1.000000,1.000000,1.000000,1.000000,1.000000,1.000000,1.000000,1.000000,1.000000,1.000000
+Acidobacterium_capsulatum--ATCC_51196,1.000000,0.000000,0.999981,0.999990,0.999989,0.999987,0.999987,0.999990,0.999988,0.999988,0.999994,0.999989,1.000000,0.999988,0.999987,0.999987,0.999988,0.999989,0.999991,0.999987
+Bacillus_subtilis--168,1.000000,0.999981,0.000000,0.999990,0.999989,0.999989,0.999989,0.999989,0.999988,0.999986,0.999995,0.999985,0.999999,0.999988,0.999987,0.999989,0.999988,0.999778,0.999993,0.999987
+Escherichia_coli--CFT073,1.000000,0.999990,0.999990,0.000000,0.825741,0.807495,0.807218,0.991156,0.996855,0.997849,0.999996,0.999633,1.000000,0.993885,0.996736,0.994148,0.993821,0.999991,0.999984,0.999291
+Escherichia_coli--EDL933,1.000000,0.999989,0.999989,0.825741,0.000000,0.735107,0.734775,0.996126,0.998058,0.997908,0.999997,0.999640,1.000000,0.993993,0.997126,0.994390,0.994059,0.999991,0.999986,0.999292
+Escherichia_coli--K-12_MG1655,1.000000,0.999987,0.999989,0.807495,0.735107,0.000000,0.382567,0.996190,0.997747,0.997455,0.999996,0.999604,1.000000,0.993444,0.996645,0.993773,0.993431,0.999989,0.999984,0.999174
+Escherichia_coli--K-12_W3110,1.000000,0.999987,0.999989,0.807218,0.734775,0.382567,0.000000,0.996220,0.997761,0.997467,0.999995,0.999604,1.000000,0.993445,0.996669,0.993769,0.993443,0.999990,0.999985,0.999165
+Klebsiella_pneumoniae--ATCC_13883,1.000000,0.999990,0.999989,0.991156,0.996126,0.996190,0.996220,0.000000,0.845220,0.840545,0.999997,0.999648,1.000000,0.996177,0.998128,0.996268,0.996052,0.999990,0.999987,0.999325
+Klebsiella_pneumoniae--HS11286,1.000000,0.999988,0.999988,0.996855,0.998058,0.997747,0.997761,0.845220,0.000000,0.906475,0.999996,0.999683,1.000000,0.997724,0.995697,0.997776,0.997769,0.999989,0.999979,0.999463
+Klebsiella_pneumoniae--MGH_78578,1.000000,0.999988,0.999986,0.997849,0.997908,0.997455,0.997467,0.840545,0.906475,0.000000,0.999996,0.999704,1.000000,0.997928,0.995054,0.997844,0.997868,0.999990,0.999980,0.999479
+Opitutus_terrae--PB90-1,1.000000,0.999994,0.999995,0.999996,0.999997,0.999996,0.999995,0.999997,0.999996,0.999996,0.000000,0.999997,0.999998,0.999996,0.999996,0.999996,0.999995,0.999997,0.999993,0.999996
+Proteus_mirabilis--HI4320,1.000000,0.999989,0.999985,0.999633,0.999640,0.999604,0.999604,0.999648,0.999683,0.999704,0.999997,0.000000,1.000000,0.999604,0.999699,0.999622,0.999613,0.999987,0.999983,0.999505
+Saccharolobus_islandicus--M.16.4,1.000000,1.000000,0.999999,1.000000,1.000000,1.000000,1.000000,1.000000,1.000000,1.000000,0.999998,1.000000,0.000000,1.000000,1.000000,1.000000,1.000000,1.000000,1.000000,1.000000
+Salmonella_enterica--AKU_12601,1.000000,0.999988,0.999988,0.993885,0.993993,0.993444,0.993445,0.996177,0.997724,0.997928,0.999996,0.999604,1.000000,0.000000,0.869238,0.682277,0.663383,0.999990,0.999985,0.999260
+Salmonella_enterica--CT18,1.000000,0.999987,0.999987,0.996736,0.997126,0.996645,0.996669,0.998128,0.995697,0.995054,0.999996,0.999699,1.000000,0.869238,0.000000,0.890872,0.886148,0.999988,0.999976,0.999524
+Salmonella_enterica--LT2,1.000000,0.999987,0.999989,0.994148,0.994390,0.993773,0.993769,0.996268,0.997776,0.997844,0.999996,0.999622,1.000000,0.682277,0.890872,0.000000,0.622606,0.999989,0.999985,0.999296
+Salmonella_enterica--P125109,1.000000,0.999988,0.999988,0.993821,0.994059,0.993431,0.993443,0.996052,0.997769,0.997868,0.999995,0.999613,1.000000,0.663383,0.886148,0.622606,0.000000,0.999988,0.999983,0.999270
+Shouchella_clausii--KSM-K16,1.000000,0.999989,0.999778,0.999991,0.999991,0.999989,0.999990,0.999990,0.999989,0.999990,0.999997,0.999987,1.000000,0.999990,0.999988,0.999989,0.999988,0.000000,0.999991,0.999988
+Wolbachia_endosymbiont--GCF_000306885.1_ASM30688v1,1.000000,0.999991,0.999993,0.999984,0.999986,0.999984,0.999985,0.999987,0.999979,0.999980,0.999993,0.999983,1.000000,0.999985,0.999976,0.999985,0.999983,0.999991,0.000000,0.999983
+Yersinia_ruckeri--YRB,1.000000,0.999987,0.999987,0.999291,0.999292,0.999174,0.999165,0.999325,0.999463,0.999479,0.999996,0.999505,1.000000,0.999260,0.999524,0.999296,0.999270,0.999988,0.999983,0.000000

benchmark/test_nj.nwk

@@ -0,0 +1 @@
+(((((((((((Candidozyma_auris--GCF_003013715.1_ASM301371v2:0.5000001881725941,Saccharolobus_islandicus--M.16.4:0.4999993211600824):0.0000023411501775538747,Opitutus_terrae--PB90-1:0.499997075187947):0.0000029791191795691675,(Acidobacterium_capsulatum--ATCC_51196:0.49999227771334689,(Bacillus_subtilis--168:0.49988797935621456,Shouchella_clausii--KSM-K16:0.49988984146059159):0.0001037210285571577):0.0000023959836053522034):0.0000034093646568700288,Wolbachia_endosymbiont--GCF_000306885.1_ASM30688v1:0.4999920159222422):0.000199555100890203,Proteus_mirabilis--HI4320:0.49979129185300427):0.00010103619067070024,Yersinia_ruckeri--YRB:0.4996806650749249):0.0013719139155004,(Klebsiella_pneumoniae--HS11286:0.43798845051648258,(Klebsiella_pneumoniae--ATCC_13883:0.41780293826821265,Klebsiella_pneumoniae--MGH_78578:0.42274184870836559):0.017586732339732737):0.0604124197073832):0.0006482538063555254,(Salmonella_enterica--CT18:0.43952894448143017,(Salmonella_enterica--AKU_12601:0.3357977326267918,(Salmonella_enterica--LT2:0.31203395843666389,Salmonella_enterica--P125109:0.31057217324861216):0.025729515856701136):0.10292985918524672):0.05825411485542886):0.08937928015651564,Escherichia_coli--CFT073:0.40806501650701029):0.0410131211869626,Escherichia_coli--EDL933:0.3681464750911808):0.1755112579711463,Escherichia_coli--K-12_MG1655:0.19129818036662728,Escherichia_coli--K-12_W3110:0.19126872019906239);

benchmark/test_shared.csv

@@ -0,0 +1,21 @@
+genome,Candidozyma_auris--GCF_003013715.1_ASM301371v2,Acidobacterium_capsulatum--ATCC_51196,Bacillus_subtilis--168,Escherichia_coli--CFT073,Escherichia_coli--EDL933,Escherichia_coli--K-12_MG1655,Escherichia_coli--K-12_W3110,Klebsiella_pneumoniae--ATCC_13883,Klebsiella_pneumoniae--HS11286,Klebsiella_pneumoniae--MGH_78578,Opitutus_terrae--PB90-1,Proteus_mirabilis--HI4320,Saccharolobus_islandicus--M.16.4,Salmonella_enterica--AKU_12601,Salmonella_enterica--CT18,Salmonella_enterica--LT2,Salmonella_enterica--P125109,Shouchella_clausii--KSM-K16,Wolbachia_endosymbiont--GCF_000306885.1_ASM30688v1,Yersinia_ruckeri--YRB
+Candidozyma_auris--GCF_003013715.1_ASM301371v2,0,0,0,0,0,0,0,0,0,0,0,0,8,0,1,0,0,0,0,3
+Acidobacterium_capsulatum--ATCC_51196,0,0,203,119,128,141,140,116,109,111,78,112,0,136,109,147,134,117,55,129
+Bacillus_subtilis--168,0,203,0,124,132,128,123,133,109,130,66,158,6,131,112,124,135,2393,46,124
+Escherichia_coli--CFT073,0,119,124,0,1966777,1998059,1999094,117743,32029,22312,63,4225,0,74946,31918,73311,76585,113,128,7854
+Escherichia_coli--EDL933,0,128,132,1966777,0,2627885,2628700,52488,20134,22064,48,4202,0,74655,28602,71244,74665,112,108,7963
+Escherichia_coli--K-12_MG1655,0,141,128,1998059,2627885,0,4452541,48302,21382,24602,47,4277,0,75729,30449,73622,76778,119,111,8566
+Escherichia_coli--K-12_W3110,0,140,123,1999094,2628700,4452541,0,47894,21226,24470,68,4278,0,75658,30207,73614,76583,112,108,8660
+Klebsiella_pneumoniae--ATCC_13883,0,116,133,117743,52488,48302,47894,0,1416091,1477759,42,4172,0,48296,18988,48144,50416,120,106,7712
+Klebsiella_pneumoniae--HS11286,0,109,109,32029,20134,21382,21226,1416091,0,644063,42,2738,0,21498,29758,21606,21376,99,102,4417
+Klebsiella_pneumoniae--MGH_78578,0,111,130,22312,22064,24602,24470,1477759,644063,0,42,2614,0,19948,35067,21330,20813,97,102,4374
+Opitutus_terrae--PB90-1,0,78,66,63,48,47,68,42,42,42,0,43,18,57,42,53,66,39,58,43
+Proteus_mirabilis--HI4320,0,112,158,4225,4202,4277,4278,4172,2738,2614,43,0,0,4254,2481,4166,4215,131,103,4704
+Saccharolobus_islandicus--M.16.4,8,0,6,0,0,0,0,0,0,0,18,0,0,0,0,0,0,0,0,0
+Salmonella_enterica--AKU_12601,0,136,131,74946,74655,75729,75658,48296,21498,19948,57,4254,0,0,1047731,2857146,2951421,117,108,7643
+Salmonella_enterica--CT18,1,109,112,31918,28602,30449,30207,18988,29758,35067,42,2481,0,1047731,0,917948,940297,106,106,3716
+Salmonella_enterica--LT2,0,147,124,73311,71244,73622,73614,48144,21606,21330,53,4166,0,2857146,917948,0,3284800,122,108,7460
+Salmonella_enterica--P125109,0,134,135,76585,74665,76778,76583,50416,21376,20813,66,4215,0,2951421,940297,3284800,0,134,124,7645
+Shouchella_clausii--KSM-K16,0,117,2393,113,112,119,112,120,99,97,39,131,0,117,106,122,134,0,58,124
+Wolbachia_endosymbiont--GCF_000306885.1_ASM30688v1,0,55,46,128,108,111,108,106,102,102,58,103,0,108,106,108,124,58,0,96
+Yersinia_ruckeri--YRB,3,129,124,7854,7963,8566,8660,7712,4417,4374,43,4704,0,7643,3716,7460,7645,124,96,0