skesa-rs 0.2.1

Rust port of NCBI's SKESA genome assembler
Documentation
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
90
91
92
93
94
95
96
97
98
99
100
101
102
103
104
105
106
107
108
109
110
111
112
113
114
115
116
117
118
119
120
121
122
123
124
125
126
127
128
129
130
131
132
133
134
135
136
137
138
139
140
141
142
143
144
145
146
147
148
149
150
151
152
153
154
155
156
157
158
159
160
161
162
163
164
165
166
167
168
169
170
171
172
173
174
175
176
177
178
179
180
181
182
183
184
185
186
187
188
189
190
191
192
193
194
195
196
197
198
199
200
201
202
203
204
205
206
207
208
209
210
211
212
213
214
215
216
217
218
219
220
221
222
223
224
225
226
227
228
229
230
231
232
233
234
235
236
237
238
239
240
241
242
243
244
245
246
247
248
249
250
251
252
253
254
255
256
257
258
259
260
261
262
263
264
265
266
267
268
269
270
271
272
273
274
275
276
277
278
279
280
281
282
283
284
285
286
287
288
289
290
291
292
293
294
295
296
297
298
299
300
301
302
303
304
305
306
307
308
309
310
311
312
313
314
315
316
317
318
319
320
321
322
323
324
325
326
327
328
329
330
331
332
333
334
335
336
337
338
339
340
341
342
343
344
345
346
347
348
349
350
351
352
353
354
355
356
357
358
359
360
361
362
363
364
365
366
367
368
369
370
371
372
373
374
375
376
377
378
379
380
381
382
383
384
385
386
387
388
389
390
391
392
393
394
395
396
397
398
399
400
401
402
403
404
405
406
407
408
409
410
411
412
413
414
415
416
417
418
419
420
421
422
423
424
425
426
427
428
429
430
431
432
433
434
435
436
437
438
439
440
441
442
443
444
445
446
447
448
449
450
451
452
453
454
455
456
457
458
459
460
461
462
463
464
465
466
467
468
469
470
471
472
473
474
475
476
477
478
479
480
481
482
483
484
485
486
487
488
489
490
491
492
493
494
495
496
497
498
499
500
501
502
503
504
505
506
507
508
509
510
511
512
513
514
515
516
517
518
519
520
521
522
523
524
525
526
527
528
529
530
531
532
533
534
535
536
537
538
539
540
541
542
543
544
545
546
547
548
549
550
551
552
553
554
555
556
557
558
559
560
561
562
563
564
565
566
567
568
569
570
571
572
573
574
575
576
577
578
579
580
581
582
583
584
585
586
587
588
589
590
591
592
593
594
595
596
597
598
599
600
601
602
603
604
605
606
607
608
609
610
611
612
613
614
615
616
617
618
619
620
621
622
623
624
625
626
627
628
629
630
631
632
633
634
635
636
637
638
639
640
641
642
643
644
645
646
647
648
649
650
651
652
653
654
655
656
657
658
659
660
661
662
663
664
665
666
667
668
669
670
671
672
673
674
675
676
677
678
679
680
681
682
683
684
685
686
687
688
689
690
691
692
693
694
695
696
697
698
699
700
701
702
703
704
705
706
707
708
709
710
711
712
713
714
715
716
717
718
719
720
721
722
723
724
725
726
727
728
729
730
731
732
733
734
735
736
737
738
739
740
741
742
743
744
745
746
747
748
749
750
751
752
753
754
755
756
757
758
759
760
761
762
763
764
765
766
767
768
769
770
771
772
773
774
775
776
777
778
779
780
781
782
783
784
785
786
787
788
789
790
791
792
793
794
795
796
797
798
799
800
801
802
803
804
805
806
807
808
809
810
811
812
813
814
815
816
817
818
819
820
821
822
823
824
825
826
827
828
829
830
831
832
833
834
835
836
837
838
839
840
841
842
843
844
845
846
847
848
849
850
851
852
853
854
855
856
857
858
859
860
861
862
863
864
865
866
867
868
869
870
871
872
873
874
875
876
877
878
879
880
881
882
883
884
885
886
887
888
889
890
891
892
893
894
895
896
897
898
899
900
901
902
903
904
905
906
907
908
909
910
911
912
913
914
915
916
917
918
919
920
921
922
923
924
925
926
927
928
929
930
931
932
933
934
935
936
937
938
939
940
941
942
943
944
945
946
947
948
949
950
951
952
953
954
955
956
957
958
959
960
961
962
963
964
965
966
967
968
969
970
971
972
973
974
975
976
977
978
979
980
981
982
983
984
985
986
987
988
989
990
991
992
993
994
995
996
997
998
999
1000
1001
1002
1003
1004
1005
1006
1007
1008
1009
1010
1011
1012
1013
1014
1015
1016
1017
1018
1019
1020
1021
1022
1023
1024
1025
1026
1027
1028
1029
1030
1031
1032
1033
1034
1035
1036
1037
1038
1039
1040
1041
1042
1043
1044
1045
1046
1047
1048
1049
1050
1051
1052
1053
1054
1055
1056
1057
1058
1059
1060
1061
1062
1063
1064
1065
1066
1067
1068
1069
1070
1071
1072
1073
1074
1075
1076
1077
1078
1079
1080
1081
1082
1083
1084
1085
1086
1087
1088
1089
1090
1091
1092
1093
1094
1095
1096
1097
1098
1099
1100
1101
1102
1103
1104
1105
1106
1107
1108
1109
1110
1111
1112
1113
1114
1115
1116
1117
1118
1119
1120
1121
1122
1123
1124
1125
1126
1127
1128
1129
1130
1131
1132
1133
1134
1135
1136
1137
1138
1139
1140
1141
1142
1143
1144
1145
1146
use crate::assembler::{build_same_k_node_state, NODE_STATE_MULTI_CONTIG};
use crate::contig::ContigSequence;
use crate::counter::KmerCount;
use crate::read_holder::ReadHolder;
use crate::reads_getter::ReadPair;
/// Read cleaning: remove reads that fully map inside assembled contigs.
///
/// Port of SKESA's CleanReads / RemoveUsedReadsJob from assembler.hpp.
///
/// After assembly, reads that fully map within assembled contigs are removed
/// from the read set. This improves subsequent iteration quality by focusing
/// on reads that extend beyond current contigs.
use std::collections::HashMap;
use std::collections::HashSet;

#[derive(Clone, PartialEq, Eq, Hash)]
enum CleanupKmerKey {
    Flat(u64),
    Words(Box<[u64]>),
}

/// Information about where a k-mer appears in a contig
#[derive(Clone)]
struct KmerPosition {
    /// Position in the contig (0-based, from the end of the k-mer)
    position: i32,
    /// Whether the k-mer appears in forward (+) or reverse (-) direction
    is_direct: bool,
    /// Index of the contig
    contig_idx: usize,
}

#[derive(Clone, Copy)]
pub struct CleanupGraphParams<'a> {
    pub kmers: &'a KmerCount,
    pub fraction: f64,
    pub average_count: f64,
}

pub struct PairConnectionCleanup {
    pub remaining_pairs: Vec<ReadPair>,
    pub internal_reads: ReadHolder,
}

fn canonical_kmer_key(kmer: crate::kmer::Kmer, kmer_len: usize) -> CleanupKmerKey {
    let precision = kmer_len.div_ceil(32);
    let rkmer = kmer.revcomp(kmer_len);
    let canonical = if kmer < rkmer { kmer } else { rkmer };
    if precision == 1 {
        CleanupKmerKey::Flat(canonical.get_val())
    } else {
        CleanupKmerKey::Words(
            canonical.as_words()[..precision]
                .to_vec()
                .into_boxed_slice(),
        )
    }
}

fn collect_sequence_kmers(seq: &[char], kmer_len: usize, out: &mut HashSet<CleanupKmerKey>) {
    if seq.len() < kmer_len {
        return;
    }
    let mut rh = ReadHolder::new(false);
    rh.push_back_chars(seq);
    let mut ki = rh.kmer_iter(kmer_len);
    while !ki.at_end() {
        out.insert(canonical_kmer_key(ki.get(), kmer_len));
        ki.advance();
    }
}

fn remove_short_uniq_intervals_for_seed_cleanup(contig: &mut ContigSequence, min_uniq_len: usize) {
    if contig.len() < 5 {
        if !(contig.circular
            && contig.len() >= 5
            && contig.chunk_len_max(0) + contig.chunk_len_max(contig.len() - 1) < min_uniq_len)
        {
            return;
        }
    }
    let mut i = 2usize;
    while i + 2 < contig.len() {
        if contig.chunk_len_max(i) < min_uniq_len {
            let mid = contig.chunk(i)[0].clone();
            let left_vars = contig.chunk(i - 1).clone();
            let right_vars = contig.chunk(i + 1).clone();
            let mut new_chunk = Vec::new();
            for var1 in &left_vars {
                for var2 in &right_vars {
                    let mut seq = var1.clone();
                    seq.extend(mid.iter().copied());
                    seq.extend(var2.iter().copied());
                    new_chunk.push(seq);
                }
            }
            contig.chunks.insert(i + 2, new_chunk);
            contig.chunks.drain(i - 1..=i + 1);
        } else {
            i += 2;
        }
    }

    if contig.circular
        && contig.len() >= 5
        && contig.chunk_len_max(0) + contig.chunk_len_max(contig.len() - 1) < min_uniq_len
    {
        let first = contig.chunk(0)[0].clone();
        if let Some(last) = contig.chunks.last_mut().and_then(|chunk| chunk.first_mut()) {
            last.extend(first.iter().copied());
        }
        contig.chunks.remove(0);
        contig.chunks.rotate_left(1);
        let seq0 = contig.chunk(0)[0].clone();
        contig.insert_new_chunk();
        contig.extend_top_variant(seq0[0]);
        if let Some(first_chunk) = contig
            .chunks
            .first_mut()
            .and_then(|chunk| chunk.first_mut())
        {
            first_chunk.remove(0);
        }
        remove_short_uniq_intervals_for_seed_cleanup(contig, min_uniq_len);
    }
}

fn build_seed_kmer_set(contigs: &[ContigSequence], kmer_len: usize) -> HashSet<CleanupKmerKey> {
    let mut seed_kmers = HashSet::new();
    for mut seed in contigs.iter().cloned() {
        if seed.len_min() < kmer_len {
            continue;
        }
        remove_short_uniq_intervals_for_seed_cleanup(&mut seed, kmer_len);
        if seed.len() == 1 {
            collect_sequence_kmers(&seed.chunk(0)[0], kmer_len, &mut seed_kmers);
            continue;
        }

        for i in (0..seed.len()).rev().step_by(2) {
            if i == seed.len() - 1 {
                if seed.chunk_len_max(i) >= kmer_len {
                    collect_sequence_kmers(&seed.chunk(i)[0], kmer_len, &mut seed_kmers);
                }
            } else {
                if seed.chunk_len_max(i) >= kmer_len {
                    collect_sequence_kmers(&seed.chunk(i)[0], kmer_len, &mut seed_kmers);
                }
                for variant in seed.chunk(i + 1) {
                    let left = seed.chunk_len_max(i).min(kmer_len.saturating_sub(1));
                    let right = seed.chunk_len_max(i + 2).min(kmer_len.saturating_sub(1));
                    let mut seq = Vec::new();
                    if left > 0 {
                        let chunk = &seed.chunk(i)[0];
                        seq.extend_from_slice(&chunk[chunk.len() - left..]);
                    }
                    seq.extend_from_slice(variant);
                    if right > 0 {
                        seq.extend_from_slice(&seed.chunk(i + 2)[0][..right]);
                    }
                    collect_sequence_kmers(&seq, kmer_len, &mut seed_kmers);
                }
            }
        }
    }
    seed_kmers
}

/// Build a k-mer → contig position map from assembled contigs.
/// Each k-mer maps to its position in the first contig it appears in.
fn build_kmer_to_contig_map(
    contigs: &[ContigSequence],
    seed_contigs: &[ContigSequence],
    kmer_len: usize,
    min_contig_len: usize,
    unique_only: bool,
    graph: Option<CleanupGraphParams<'_>>,
) -> HashMap<CleanupKmerKey, KmerPosition> {
    use rayon::prelude::*;

    let precision = kmer_len.div_ceil(32);
    let mut eligible_contigs = Vec::with_capacity(contigs.len());
    let seed_kmers = build_seed_kmer_set(seed_contigs, kmer_len);

    for (contig_idx, contig) in contigs.iter().enumerate() {
        if contig.len() != 1 || contig.len_min() < min_contig_len {
            continue;
        }
        eligible_contigs.push(contig_idx);
    }

    let graph_multicontig_state =
        graph.map(|graph_params| build_same_k_node_state(contigs, graph_params.kmers, kmer_len));

    let mut local_results: Vec<(usize, Vec<(CleanupKmerKey, KmerPosition)>)> = eligible_contigs
        .par_iter()
        .fold(Vec::new, |mut local_results, &contig_idx| {
            let contig = &contigs[contig_idx];
            let base_seq = contig.primary_sequence();
            let seq = if contig.circular && base_seq.len() >= kmer_len {
                let mut extended = base_seq.clone();
                extended.push_str(&base_seq[..kmer_len - 1]);
                extended
            } else {
                base_seq
            };
            if seq.len() < kmer_len {
                return local_results;
            }

            let mut rh = ReadHolder::new(false);
            rh.push_back_str(&seq);
            let mut ki = rh.kmer_iter(kmer_len);
            let mut pos = if contig.circular {
                contig.chunk_len_max(0) as i32 - 1
            } else {
                (seq.len() - kmer_len) as i32
            };
            let mut contig_entries: Vec<(CleanupKmerKey, KmerPosition)> =
                Vec::with_capacity(seq.len() - kmer_len + 1);
            let mut found_repeat = false;

            while !ki.at_end() {
                let kmer = ki.get();
                let rkmer = kmer.revcomp(kmer_len);
                let is_direct = kmer <= rkmer;
                let canonical = if is_direct { kmer } else { rkmer };
                let key = if precision == 1 {
                    CleanupKmerKey::Flat(canonical.get_val())
                } else {
                    CleanupKmerKey::Words(
                        canonical.as_words()[..precision]
                            .to_vec()
                            .into_boxed_slice(),
                    )
                };

                if let Some(graph_params) = graph {
                    let idx = graph_params.kmers.find(&canonical);
                    if idx < graph_params.kmers.size() {
                        let abundance = (graph_params.kmers.get_count(idx) & 0xFFFF_FFFF) as f64;
                        if abundance * graph_params.fraction > graph_params.average_count {
                            ki.advance();
                            pos -= 1;
                            continue;
                        }
                    }
                    if let Some(node_state) = &graph_multicontig_state {
                        if idx < node_state.len() && node_state[idx] == NODE_STATE_MULTI_CONTIG {
                            found_repeat = true;
                            break;
                        }
                    }
                }

                if !seed_kmers.contains(&key) {
                    contig_entries.push((
                        key,
                        KmerPosition {
                            position: pos,
                            is_direct,
                            contig_idx,
                        },
                    ));
                }

                ki.advance();
                pos -= 1;
            }

            if found_repeat {
                return local_results;
            }

            local_results.push((contig_idx, contig_entries));
            local_results
        })
        .reduce(Vec::new, |mut left, mut right| {
            left.append(&mut right);
            left
        });

    local_results.sort_unstable_by_key(|(contig_idx, _)| *contig_idx);
    let total_entries = local_results.iter().map(|(_, entries)| entries.len()).sum();

    if !unique_only {
        let mut map = HashMap::with_capacity(total_entries);
        for (_, contig_entries) in local_results {
            for (key, pos_info) in contig_entries {
                map.entry(key).or_insert(pos_info);
            }
        }
        return map;
    }

    let mut key_counts: HashMap<CleanupKmerKey, usize> = HashMap::with_capacity(total_entries);
    let mut entries: Vec<(CleanupKmerKey, KmerPosition)> = Vec::with_capacity(total_entries);
    for (_, contig_entries) in local_results {
        for (key, pos_info) in contig_entries {
            *key_counts.entry(key.clone()).or_insert(0) += 1;
            entries.push((key, pos_info));
        }
    }
    let mut map = HashMap::with_capacity(entries.len());
    for (key, pos_info) in entries {
        if !unique_only || key_counts.get(&key) == Some(&1usize) {
            map.insert(key, pos_info);
        }
    }

    map
}

/// Find where a read maps in the contig map.
/// Returns (position_on_contig, strand, contig_index) or None.
fn find_read_position(
    read_seq: &str,
    kmer_len: usize,
    map: &HashMap<CleanupKmerKey, KmerPosition>,
    contigs: &[ContigSequence],
) -> Option<(i32, i32, usize)> {
    if read_seq.len() < kmer_len {
        return None;
    }

    let precision = kmer_len.div_ceil(32);
    let mut rh = ReadHolder::new(false);
    rh.push_back_str(read_seq);
    let mut ki = rh.kmer_iter(kmer_len);
    let num_kmers = read_seq.len() - kmer_len + 1;
    // Mirrors C++'s for-loop post-decrement at assembler.hpp:498-537: at the
    // point pos is computed, knum equals num_kmers - N (N = iteration count).
    let mut knum = num_kmers as i32;

    while !ki.at_end() {
        knum -= 1;
        let kmer = ki.get();
        let rkmer = kmer.revcomp(kmer_len);
        let is_direct = kmer <= rkmer;
        let canonical = if is_direct { kmer } else { rkmer };
        let key = if precision == 1 {
            CleanupKmerKey::Flat(canonical.get_val())
        } else {
            CleanupKmerKey::Words(
                canonical.as_words()[..precision]
                    .to_vec()
                    .into_boxed_slice(),
            )
        };

        if let Some(pos_info) = map.get(&key) {
            if pos_info.position < 0 {
                ki.advance();
                continue;
            }

            let mut plus = if is_direct { 1i32 } else { -1i32 };
            if !pos_info.is_direct {
                plus = -plus;
            }

            let contig_idx = pos_info.contig_idx;
            let contig = &contigs[contig_idx];
            let contig_len = contig.len_max() as i32;
            let mut read_pos = if plus > 0 {
                pos_info.position - knum
            } else {
                pos_info.position + kmer_len as i32 - 1 + knum
            };
            if plus > 0 {
                if read_pos < 0 && contig.circular {
                    read_pos += contig_len;
                }
            } else if read_pos >= contig_len && contig.circular {
                read_pos -= contig_len;
            }

            return Some((read_pos, plus, contig_idx));
        }

        ki.advance();
    }

    None
}

/// Port of `CDBGraphDigger::CheckAndClipReadLite` (graphdigger.hpp:3260-3312).
///
/// Strips read parts not supported by the graph: marks every base position
/// covered by *any* good kmer (valid + abundance ≥ low_count), then keeps
/// the longest run of consecutive good positions. Returns `None` if no run
/// of length ≥ kmer_len exists.
///
/// Lighter than [`super::clip_read_for_connection`] (the heavy
/// `CheckAndClipRead`): no left/right `MostLikelyExtension` of the read,
/// no forward/backward edge verification — just direct kmer-coverage
/// marking.
///
/// The C++ form additionally returns a `uint8_t` color (OR of node colors
/// in the retained range), used by GFA Connector's read-tagging. The Rust
/// port doesn't track per-node colors yet, so this returns just the
/// clipped read.
pub fn check_and_clip_read_lite(
    read: &str,
    kmers: &KmerCount,
    kmer_len: usize,
    low_count: usize,
) -> Option<String> {
    if read.len() < kmer_len {
        return None;
    }

    let num_kmers = read.len() - kmer_len + 1;
    let mut good_node_at: Vec<bool> = Vec::with_capacity(num_kmers);
    for ek in 0..num_kmers {
        let kmer = crate::kmer::Kmer::from_kmer_str(&read[ek..ek + kmer_len]);
        let rkmer = kmer.revcomp(kmer_len);
        let canonical = if kmer < rkmer { kmer } else { rkmer };
        let idx = kmers.find(&canonical);
        let good = if idx >= kmers.size() {
            false
        } else {
            let abundance = (kmers.get_count(idx) & 0xFFFF_FFFF) as u32;
            abundance >= low_count as u32
        };
        good_node_at.push(good);
    }

    // Mark every base position spanned by any good kmer.
    let mut bases = vec![false; read.len()];
    for ek in 0..good_node_at.len() {
        if good_node_at[ek] {
            for p in ek..ek + kmer_len {
                bases[p] = true;
            }
        }
    }

    // Longest run of consecutive good positions.
    let mut left = 0usize;
    let mut len = 0usize;
    let mut k = 0usize;
    while k < read.len() {
        while k < read.len() && !bases[k] {
            k += 1;
        }
        let current_left = k;
        let mut current_len = 0usize;
        while k < read.len() && bases[k] {
            k += 1;
            current_len += 1;
        }
        if current_len > len {
            left = current_left;
            len = current_len;
        }
    }

    if len < kmer_len {
        None
    } else {
        Some(read[left..left + len].to_string())
    }
}

fn pair_span_is_deep(pos: i32, plus: i32, contig: &ContigSequence, margin: i32, span: i32) -> bool {
    pair_span_is_deep_values(
        pos,
        plus,
        contig.circular,
        contig.len_max() as i32,
        contig.left_repeat,
        contig.right_repeat,
        margin,
        span,
    )
}

fn pair_span_is_deep_values(
    pos: i32,
    plus: i32,
    circular: bool,
    clen: i32,
    lr: i32,
    rr: i32,
    margin: i32,
    span: i32,
) -> bool {
    circular
        || (plus > 0 && pos >= margin + lr && pos + span - 1 < clen - margin - rr)
        || (plus < 0 && pos - span + 1 >= margin + lr && pos < clen - margin - rr)
}

fn read_is_deep(pos: i32, plus: i32, contig: &ContigSequence, margin: i32, read_len: i32) -> bool {
    read_is_deep_values(
        pos,
        plus,
        contig.circular,
        contig.len_max() as i32,
        contig.left_repeat,
        contig.right_repeat,
        margin,
        read_len,
    )
}

fn read_is_deep_values(
    pos: i32,
    plus: i32,
    circular: bool,
    clen: i32,
    lr: i32,
    rr: i32,
    margin: i32,
    read_len: i32,
) -> bool {
    circular
        || (plus > 0 && pos >= margin + lr && pos + read_len - 1 < clen - margin - rr)
        || (plus < 0 && pos - read_len + 1 >= margin + lr && pos < clen - margin - rr)
}

fn internal_pair_span(
    pos1: i32,
    plus1: i32,
    pos2: i32,
    contig: &ContigSequence,
) -> Option<(usize, usize, String)> {
    let clen = contig.len_max() as i32;
    let inside = if plus1 > 0 {
        pos1 >= 0 && pos2 < clen
    } else {
        pos2 >= 0 && pos1 < clen
    };
    if !inside {
        return None;
    }

    let a = pos1.min(pos2).max(0) as usize;
    let b = pos1.max(pos2).min(clen - 1) as usize;
    if b < contig.chunk_len_max(0) {
        let seq: String = contig.chunks[0][0][a..=b].iter().collect();
        return Some((a, b, seq));
    }
    let last = contig.len() - 1;
    let len_max = contig.len_max();
    let last_len = contig.chunk_len_max(last);
    if len_max - a <= last_len {
        let offset = len_max - last_len;
        let start = a - offset;
        let end = b - offset;
        let seq: String = contig.chunks[last][0][start..=end].iter().collect();
        return Some((a, b, seq));
    }
    None
}

/// Clean reads by removing those that map deep inside assembled contigs.
///
/// Returns cleaned read pairs (reads that don't fully map inside contigs).
/// `margin` is the minimum distance from a contig edge for a read to be removed.
pub fn clean_reads(
    reads: &[ReadPair],
    contigs: &[ContigSequence],
    seed_contigs: &[ContigSequence],
    kmer_len: usize,
    min_contig_len: usize,
    margin: usize,
    insert_size: usize,
    graph: Option<CleanupGraphParams<'_>>,
) -> Vec<ReadPair> {
    if contigs.is_empty() {
        return reads.to_vec();
    }

    let map = build_kmer_to_contig_map(
        contigs,
        seed_contigs,
        kmer_len,
        min_contig_len,
        false,
        graph,
    );
    let contig_lens: Vec<usize> = contigs.iter().map(|c| c.len_max()).collect();
    let contig_left_reps: Vec<i32> = contigs.iter().map(|c| c.left_repeat).collect();
    let contig_right_reps: Vec<i32> = contigs.iter().map(|c| c.right_repeat).collect();
    let contig_circular: Vec<bool> = contigs.iter().map(|c| c.circular).collect();

    // Mirror C++ `RemoveUsedReads` (assembler.hpp:658-664): one job per
    // input ReadPair group, parallelized via `RunThreads(ncores, jobs)`.
    use rayon::prelude::*;
    reads
        .par_iter()
        .map(|rp| {
            let mut cleaned_paired = ReadHolder::new(true);
            let mut cleaned_unpaired = ReadHolder::new(false);

            // Process paired reads
            if rp[0].read_num() > 0 {
                let mut si = rp[0].string_iter();
                while !si.at_end() {
                    let read1 = si.get();
                    si.advance();
                    if si.at_end() {
                        break;
                    }
                    let read2 = si.get();
                    si.advance();

                    // C++ pushes short-mate pairs into raw_reads[1] hoping they'd
                    // be reused as unpaired (assembler.hpp:564-566), but the
                    // unpaired loop's `if(rlen < kmer_len) continue;` immediately
                    // drops them on the way out. Effective behavior: dropped.
                    if read1.len() < kmer_len || read2.len() < kmer_len {
                        continue;
                    }

                    let pos1 = find_read_position(&read1, kmer_len, &map, contigs);
                    let pos2 = find_read_position(&read2, kmer_len, &map, contigs);
                    let m = margin as i32;
                    // C++ `RemoveUsedReadsJob` (assembler.hpp:581-595) uses
                    // `insert_size` directly in the deep-pair check.
                    let span = insert_size as i32;

                    let should_remove = if let Some((p1, plus1, ci1)) = pos1 {
                        if pair_span_is_deep_values(
                            p1,
                            plus1,
                            contig_circular[ci1],
                            contig_lens[ci1] as i32,
                            contig_left_reps[ci1],
                            contig_right_reps[ci1],
                            m,
                            span,
                        ) {
                            true
                        } else if let Some((p2, plus2, ci2)) = pos2 {
                            if pair_span_is_deep_values(
                                p2,
                                plus2,
                                contig_circular[ci2],
                                contig_lens[ci2] as i32,
                                contig_left_reps[ci2],
                                contig_right_reps[ci2],
                                m,
                                span,
                            ) {
                                true
                            } else if ci1 == ci2 && plus1 != plus2 {
                                let clen = contig_lens[ci1] as i32;
                                let lr = contig_left_reps[ci1];
                                let rr = contig_right_reps[ci1];
                                (plus1 > 0 && p1 >= m + lr && p2 < clen - m - rr)
                                    || (plus1 < 0 && p2 >= m + lr && p1 < clen - m - rr)
                            } else {
                                false
                            }
                        } else {
                            false
                        }
                    } else if let Some((p2, plus2, ci2)) = pos2 {
                        pair_span_is_deep_values(
                            p2,
                            plus2,
                            contig_circular[ci2],
                            contig_lens[ci2] as i32,
                            contig_left_reps[ci2],
                            contig_right_reps[ci2],
                            m,
                            span,
                        )
                    } else {
                        false
                    };

                    if !should_remove {
                        cleaned_paired.push_back_str(&read1);
                        cleaned_paired.push_back_str(&read2);
                    }
                }
            }

            // Process unpaired reads
            if rp[1].read_num() > 0 {
                let mut si = rp[1].string_iter();
                while !si.at_end() {
                    let read = si.get();
                    si.advance();

                    if read.len() < kmer_len {
                        continue;
                    }

                    let pos = find_read_position(&read, kmer_len, &map, contigs);
                    let should_remove = match pos {
                        Some((p, plus, ci)) => read_is_deep_values(
                            p,
                            plus,
                            contig_circular[ci],
                            contig_lens[ci] as i32,
                            contig_left_reps[ci],
                            contig_right_reps[ci],
                            margin as i32,
                            read.len() as i32,
                        ),
                        None => false,
                    };

                    if !should_remove {
                        cleaned_unpaired.push_back_str(&read);
                    }
                }
            }

            [cleaned_paired, cleaned_unpaired]
        })
        .collect()
}

pub fn clean_pair_connection_reads(
    reads: &[ReadPair],
    contigs: &[ContigSequence],
    seed_contigs: &[ContigSequence],
    kmer_len: usize,
    min_contig_len: usize,
    margin: usize,
    insert_size: usize,
    graph: Option<CleanupGraphParams<'_>>,
) -> PairConnectionCleanup {
    let mut result = PairConnectionCleanup {
        remaining_pairs: Vec::with_capacity(reads.len()),
        internal_reads: ReadHolder::new(false),
    };
    if contigs.is_empty() {
        result.remaining_pairs = reads.to_vec();
        return result;
    }

    let map = build_kmer_to_contig_map(
        contigs,
        seed_contigs,
        kmer_len,
        min_contig_len,
        false,
        graph,
    );
    let m = margin as i32;
    let span = insert_size as i32;
    let contig_lens: Vec<usize> = contigs.iter().map(|c| c.len_max()).collect();
    let contig_left_reps: Vec<i32> = contigs.iter().map(|c| c.left_repeat).collect();
    let contig_right_reps: Vec<i32> = contigs.iter().map(|c| c.right_repeat).collect();
    let contig_circular: Vec<bool> = contigs.iter().map(|c| c.circular).collect();

    use rayon::prelude::*;
    let work_items = cleanup_pair_work_items(reads);
    let per_group: Vec<(ReadPair, ReadHolder)> = work_items
        .par_iter()
        .map(|work| {
            let rp = work.read_pair;
            let mut cleaned_paired = ReadHolder::new(true);
            let mut internal_reads = ReadHolder::new(false);
            if rp[0].read_num() > 0 {
                let mut si = rp[0].string_iter_at(work.start_pair * 2);
                let mut processed = 0usize;
                while !si.at_end() && processed < work.pair_count {
                    let read1 = si.get();
                    si.advance();
                    if si.at_end() {
                        break;
                    }
                    let read2 = si.get();
                    si.advance();
                    processed += 1;

                    if read1.len() < kmer_len || read2.len() < kmer_len {
                        cleaned_paired.push_back_str(&read1);
                        cleaned_paired.push_back_str(&read2);
                        continue;
                    }

                    let pos1 = find_read_position(&read1, kmer_len, &map, contigs);
                    let pos2 = find_read_position(&read2, kmer_len, &map, contigs);
                    let mut classified = false;
                    if let Some((p1, plus1, ci1)) = pos1 {
                        if pair_span_is_deep_values(
                            p1,
                            plus1,
                            contig_circular[ci1],
                            contig_lens[ci1] as i32,
                            contig_left_reps[ci1],
                            contig_right_reps[ci1],
                            m,
                            span,
                        ) {
                            continue;
                        }
                        if let Some((p2, plus2, ci2)) = pos2 {
                            if pair_span_is_deep_values(
                                p2,
                                plus2,
                                contig_circular[ci2],
                                contig_lens[ci2] as i32,
                                contig_left_reps[ci2],
                                contig_right_reps[ci2],
                                m,
                                span,
                            ) {
                                continue;
                            }
                            if ci1 == ci2 && plus1 != plus2 {
                                let contig = &contigs[ci1];
                                let clen = contig_lens[ci1] as i32;
                                let lr = contig_left_reps[ci1];
                                let rr = contig_right_reps[ci1];
                                let is_deep_inside =
                                    (plus1 > 0 && p1 >= m + lr && p2 < clen - m - rr)
                                        || (plus1 < 0 && p2 >= m + lr && p1 < clen - m - rr);
                                if is_deep_inside {
                                    continue;
                                }
                                if let Some((a, b, seq)) = internal_pair_span(p1, plus1, p2, contig)
                                {
                                    let _ = (a, b);
                                    internal_reads.push_back_str(&seq);
                                    continue;
                                }
                                classified = true;
                            } else if ci1 != ci2 {
                                classified = true;
                            }
                        } else {
                            classified = true;
                        }
                    } else if let Some((p2, plus2, ci2)) = pos2 {
                        if pair_span_is_deep(p2, plus2, &contigs[ci2], m, span) {
                            continue;
                        }
                        classified = true;
                    }

                    let _ = classified;
                    cleaned_paired.push_back_str(&read1);
                    cleaned_paired.push_back_str(&read2);
                }
            }
            ([cleaned_paired, ReadHolder::new(false)], internal_reads)
        })
        .collect();

    for (remaining, internal) in per_group {
        result.remaining_pairs.push(remaining);
        let mut iter = internal.string_iter();
        while !iter.at_end() {
            result.internal_reads.push_back_iter(&iter);
            iter.advance();
        }
    }

    result
}

#[derive(Clone, Copy)]
struct CleanupPairWorkItem<'a> {
    read_pair: &'a ReadPair,
    start_pair: usize,
    pair_count: usize,
}

fn cleanup_pair_work_items(reads: &[ReadPair]) -> Vec<CleanupPairWorkItem<'_>> {
    let threads = rayon::current_num_threads();
    let mut out = Vec::with_capacity(reads.len().max(threads * 4));
    for rp in reads {
        let pair_count = rp[0].read_num() / 2;
        if pair_count < threads * 2 {
            out.push(CleanupPairWorkItem {
                read_pair: rp,
                start_pair: 0,
                pair_count,
            });
            continue;
        }

        let target_chunks = threads * 4;
        let chunk_pairs = pair_count.div_ceil(target_chunks).max(1);
        let mut start_pair = 0;
        while start_pair < pair_count {
            let len = (pair_count - start_pair).min(chunk_pairs);
            out.push(CleanupPairWorkItem {
                read_pair: rp,
                start_pair,
                pair_count: len,
            });
            start_pair += len;
        }
    }
    out
}

pub fn clean_internal_reads(
    reads: &ReadHolder,
    contigs: &[ContigSequence],
    seed_contigs: &[ContigSequence],
    kmer_len: usize,
    min_contig_len: usize,
    margin: usize,
    graph: Option<CleanupGraphParams<'_>>,
) -> ReadHolder {
    if contigs.is_empty() || reads.read_num() == 0 {
        return reads.clone();
    }

    let map = build_kmer_to_contig_map(
        contigs,
        seed_contigs,
        kmer_len,
        min_contig_len,
        false,
        graph,
    );
    let mut cleaned = ReadHolder::new(false);
    let mut si = reads.string_iter();
    while !si.at_end() {
        let read = si.get();
        si.advance();
        if read.len() < kmer_len {
            continue;
        }
        let pos = find_read_position(&read, kmer_len, &map, contigs);
        let should_remove = match pos {
            Some((p, plus, ci)) => {
                read_is_deep(p, plus, &contigs[ci], margin as i32, read.len() as i32)
            }
            None => false,
        };
        if !should_remove {
            cleaned.push_back_str(&read);
        }
    }
    cleaned
}

#[cfg(test)]
mod tests {
    use super::*;

    #[test]
    fn test_clean_reads_no_contigs() {
        let rh = ReadHolder::new(false);
        let reads = vec![[rh.clone(), ReadHolder::new(false)]];
        let contigs: Vec<ContigSequence> = Vec::new();
        let cleaned = clean_reads(&reads, &contigs, &[], 21, 0, 50, 0, None);
        assert_eq!(cleaned.len(), 1);
    }

    #[test]
    fn test_build_kmer_map() {
        let mut contig = ContigSequence::new();
        contig.insert_new_chunk_with("ACGTACGTACGTACGTACGTACGTAAAA".chars().collect());
        let contigs = vec![contig];
        let map = build_kmer_to_contig_map(&contigs, &[], 21, 0, false, None);
        assert!(!map.is_empty(), "Map should have entries for contig k-mers");
    }

    #[test]
    fn test_seed_kmers_are_excluded_from_cleanup_map() {
        let mut seed = ContigSequence::new();
        seed.insert_new_chunk_with("ACGTACGTACGTACGTACGTACGTAAAA".chars().collect());
        let mut contig = ContigSequence::new();
        contig.insert_new_chunk_with("ACGTACGTACGTACGTACGTACGTAAAA".chars().collect());
        let map = build_kmer_to_contig_map(&[contig], &[seed], 21, 0, false, None);
        assert!(
            map.is_empty(),
            "seed kmers should not be indexed for cleanup"
        );
    }

    #[test]
    fn test_build_seed_kmer_set_removes_short_uniq_intervals_first() {
        let mut seed = ContigSequence::new();
        seed.chunks = vec![
            vec![vec!['A', 'A']],
            vec![vec!['C'], vec!['G']],
            vec![vec!['T']],
            vec![vec!['A'], vec!['G']],
            vec![vec!['C', 'C']],
        ];

        let seed_kmers = build_seed_kmer_set(&[seed], 3);
        let merged = canonical_kmer_key(crate::kmer::Kmer::from_kmer_str("CTA"), 3);

        assert!(seed_kmers.contains(&merged));
    }

    #[test]
    fn test_build_seed_kmer_set_handles_circular_short_uniq_rotation() {
        let mut seed = ContigSequence::new();
        seed.chunks = vec![
            vec![vec!['A']],
            vec![vec!['C'], vec!['G']],
            vec![vec!['T', 'T']],
            vec![vec!['A'], vec!['G']],
            vec![vec!['C']],
        ];
        seed.circular = true;

        let seed_kmers = build_seed_kmer_set(&[seed], 3);
        let wrapped = canonical_kmer_key(crate::kmer::Kmer::from_kmer_str("TAC"), 3);

        assert!(seed_kmers.contains(&wrapped));
    }

    #[test]
    fn test_build_kmer_map_circular_uses_wraparound_positioning() {
        let mut contig = ContigSequence::new();
        contig.insert_new_chunk_with("ACGTA".chars().collect());
        contig.circular = true;

        let map = build_kmer_to_contig_map(&[contig], &[], 3, 0, false, None);
        let key = canonical_kmer_key(crate::kmer::Kmer::from_kmer_str("AAC"), 3);
        let wrapped = map.get(&key).expect("wraparound kmer should be indexed");

        assert_eq!(wrapped.position, 4);
    }

    #[test]
    fn test_find_read_position_matches_cpp_knum_semantics() {
        // Read "AAC" is exactly one kmer (rlen=3, kmer_len=3, num_kmers=1).
        // C++ FindMatchForRead's for-loop post-decrements knum after the
        // body where rsltp gets set, so by the time pos is computed,
        // knum = 0 and pos = c - knum = 2 - 0 = 2 (assembler.hpp:498-537).
        let mut contig = ContigSequence::new();
        contig.insert_new_chunk_with("AACTT".chars().collect());
        let contigs = vec![contig];
        let mut map = HashMap::new();
        let key = canonical_kmer_key(crate::kmer::Kmer::from_kmer_str("AAC"), 3);
        map.insert(
            key,
            KmerPosition {
                position: 2,
                is_direct: true,
                contig_idx: 0,
            },
        );

        let pos = find_read_position("AAC", 3, &map, &contigs).expect("read should map");
        // C++ for-loop post-decrement: after iter 1 sets rsltp, --knum runs
        // → knum=0 → pos = 2 - 0 = 2. Verified against bundled C++ binary
        // via SKESA_DEBUG_FIND_READ_POS instrumentation.
        assert_eq!(pos.0, 2);
        assert_eq!(pos.1, 1);
        assert_eq!(pos.2, 0);
    }

    #[test]
    fn test_build_kmer_map_uses_graph_multicontig_state_from_variant_contigs() {
        let mut left = ReadHolder::new(false);
        left.push_back_str("AAACCC");
        left.push_back_str("AAAGCC");
        let reads = vec![[left, ReadHolder::new(false)]];
        let mut kmers = crate::sorted_counter::count_kmers_sorted(&reads, 3, 1, 32);
        crate::sorted_counter::get_branches(&mut kmers, 3);
        kmers.build_hash_index();
        let graph = CleanupGraphParams {
            kmers: &kmers,
            fraction: 0.1,
            average_count: 1000.0,
        };

        let mut single = ContigSequence::new();
        single.insert_new_chunk_with("AAACCC".chars().collect());
        let mut variant = ContigSequence::new();
        variant.chunks = vec![
            vec![vec!['A', 'A', 'A']],
            vec![vec!['C'], vec!['G']],
            vec![vec!['C', 'C']],
        ];

        let map = build_kmer_to_contig_map(&[single, variant], &[], 3, 0, false, Some(graph));
        let shared = canonical_kmer_key(crate::kmer::Kmer::from_kmer_str("AAA"), 3);
        assert!(
            !map.contains_key(&shared),
            "cleanup map should reject kmers that are mult-contig via graph state"
        );
    }

    fn push_canonical_count_for_lite(kmers: &mut crate::counter::KmerCount, sequence: &str) {
        let kmer = crate::kmer::Kmer::from_kmer_str(sequence);
        let rkmer = kmer.revcomp(sequence.len());
        let canonical = if kmer < rkmer { kmer } else { rkmer };
        kmers.push_back(&canonical, 1);
    }

    #[test]
    fn test_check_and_clip_read_lite_too_short() {
        let kmers = crate::counter::KmerCount::new(5);
        assert!(check_and_clip_read_lite("AC", &kmers, 5, 1).is_none());
    }

    #[test]
    fn test_check_and_clip_read_lite_no_good_kmers() {
        let kmers = crate::counter::KmerCount::new(3);
        assert!(check_and_clip_read_lite("ACGTACGT", &kmers, 3, 1).is_none());
    }

    #[test]
    fn test_check_and_clip_read_lite_keeps_longest_run() {
        let mut kmers = crate::counter::KmerCount::new(3);
        push_canonical_count_for_lite(&mut kmers, "ACG");
        push_canonical_count_for_lite(&mut kmers, "CGT");
        kmers.sort_and_uniq(0);
        // ACG covers positions 0..3, CGT covers 1..4 → bases [0,1,2,3] good.
        // Position 4 starts kmer "GTA" (not in graph) → bases[4..]=false.
        let result = check_and_clip_read_lite("ACGTAA", &kmers, 3, 1);
        assert_eq!(result.as_deref(), Some("ACGT"));
    }

    #[test]
    fn test_check_and_clip_read_lite_picks_longer_of_two_runs() {
        let mut kmers = crate::counter::KmerCount::new(3);
        // Two disjoint good regions: GCT/CTA at the start, and AAC/ACG/CGT at end.
        for k in ["GCT", "CTA", "AAC", "ACG", "CGT"] {
            push_canonical_count_for_lite(&mut kmers, k);
        }
        kmers.sort_and_uniq(0);
        // Read: "GCTANNAACGT" — positions 0..4 covered (run len 4),
        // positions 6..11 covered (run len 5). Longer run wins.
        let result = check_and_clip_read_lite("GCTANNAACGT", &kmers, 3, 1);
        assert_eq!(result.as_deref(), Some("AACGT"));
    }

    #[test]
    fn test_check_and_clip_read_lite_low_abundance_threshold() {
        let mut kmers = crate::counter::KmerCount::new(3);
        // AAA and CCC have distinct canonicals (CCC ≠ revcomp(AAA)).
        // Push AAA once (low) and CCC three times (high). With low_count=2,
        // only CCC is good.
        push_canonical_count_for_lite(&mut kmers, "AAA");
        for _ in 0..3 {
            push_canonical_count_for_lite(&mut kmers, "CCC");
        }
        kmers.sort_and_uniq(0);
        // Read AAAAACCCCC: AAA at ek=0..2 is below threshold; CCC at
        // ek=5..7 is good and covers positions 5..10.
        let result = check_and_clip_read_lite("AAAAACCCCC", &kmers, 3, 2);
        assert_eq!(result.as_deref(), Some("CCCCC"));
    }
}