abd-clam 0.11.1

Clustered Learning of Approximate Manifolds
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
use crate::number::Number;

#[derive(Clone, Copy, Debug, PartialEq)]
pub enum Direction {
    Diagonal,
    Up,
    Left,
    None,
}

// New function to compute the distance and direction table using scoring scheme 0; 1; 1
pub fn compute_nw_table<T: Number>(x: &[T], y: &[T]) -> Vec<Vec<(usize, Direction)>> {
    let len_x = x.len();
    let len_y = y.len();

    // Initializing table; subvecs represent rows
    let mut table = vec![vec![(0, Direction::None); len_x + 1]; len_y + 1];

    let gap_penalty = 1;

    // Initialize top row and left column distance values
    #[allow(clippy::needless_range_loop)]
    for row in 0..(len_y + 1) {
        table[row][0] = (gap_penalty * row, Direction::Up);
    }

    for column in 0..(len_x + 1) {
        table[0][column] = (gap_penalty * column, Direction::Left);
    }

    table[0][0] = (0, Direction::None);

    // Set values for the body of the table
    for row in 1..(len_y + 1) {
        for col in 1..(len_x + 1) {
            // Check if sequences match at position col-1 in x and row-1 in y
            // Reason for subtraction is that NW considers an artificial gap at the start
            // of each sequence, so the dp tables' indices are 1 higher than that of
            // the actual sequences
            let mismatch_penalty = if x[col - 1] == y[row - 1] { 0 } else { 1 };
            let new_cell = [
                table[row - 1][col - 1].0 + mismatch_penalty,
                table[row - 1][col].0 + gap_penalty,
                table[row][col - 1].0 + gap_penalty,
            ]
            .into_iter()
            .zip([Direction::Diagonal, Direction::Up, Direction::Left].into_iter())
            .min_by(|x, y| x.0.cmp(&y.0))
            .unwrap();

            table[row][col] = new_cell;
        }
    }

    table
}

pub enum Edit<T: Number> {
    Deletion(usize),
    Insertion(usize, T),
    Substitution(usize, T),
}

// Given an alignement of two sequences, returns the set of edits needed to turn sequence
// x into sequence y
pub fn alignment_to_edits<T: Number>(aligned_x: &[T], aligned_y: &[T]) -> Vec<Edit<T>> {
    aligned_x
        .iter()
        .zip(aligned_y.iter())
        .filter(|(x, y)| x != y)
        .enumerate()
        .map(|(index, (x, y))| {
            if *x == T::from(b'-').unwrap() {
                Edit::Insertion(index, *y)
            } else if *y == T::from(b'-').unwrap() {
                Edit::Deletion(index)
            } else {
                Edit::Substitution(index, *y)
            }
        })
        .collect()
}

// Iterative version of traceback function so we can benchmark both this and recursive option
pub fn traceback_iterative<T: Number>(
    table: &Vec<Vec<(usize, Direction)>>,
    unaligned_seqs: (&[T], &[T]),
) -> (Vec<T>, Vec<T>) {
    let mut row_index = table.len() - 1;
    let mut column_index = table[0].len() - 1;

    let (mut aligned_x, mut aligned_y) = (Vec::<T>::new(), Vec::<T>::new());
    let (unaligned_x, unaligned_y) = unaligned_seqs;
    let mut direction = table[row_index][column_index].1;

    while direction != Direction::None {
        match direction {
            Direction::Diagonal => {
                aligned_x.push(unaligned_x[column_index - 1]);
                aligned_y.push(unaligned_y[row_index - 1]);
                row_index -= 1;
                column_index -= 1;
            }
            Direction::Left => {
                aligned_x.push(unaligned_x[column_index - 1]);
                aligned_y.push(T::from(b'-').unwrap());
                column_index -= 1;
            }
            Direction::Up => {
                aligned_x.push(T::from(b'-').unwrap());
                aligned_y.push(unaligned_y[row_index - 1]);
                row_index -= 1;
            }
            Direction::None => {}
        }

        direction = table[row_index][column_index].1;
    }

    aligned_x.reverse();
    aligned_y.reverse();

    (aligned_x, aligned_y)
}

// Public function for recurisve traceback to get alignment and edit distance (ignores ties for now)
pub fn traceback_recursive<T: Number>(
    table: &Vec<Vec<(usize, Direction)>>,
    unaligned_seqs: (&[T], &[T]),
) -> (Vec<T>, Vec<T>) {
    let indices = (table.len() - 1, table[0].len() - 1);

    let mut aligned_x: Vec<T> = Vec::new();
    let mut aligned_y: Vec<T> = Vec::new();

    _traceback_recursive(table, indices, unaligned_seqs, (&mut aligned_x, &mut aligned_y));

    (aligned_x, aligned_y)
}

// Private traceback recursive function. Returns a single alignment (disregards ties for best-scoring alignment)
fn _traceback_recursive<T: Number>(
    table: &Vec<Vec<(usize, Direction)>>,
    indices: (usize, usize),
    unaligned_seqs: (&[T], &[T]),
    aligned_seqs: (&mut Vec<T>, &mut Vec<T>),
) {
    /* This function is likely slow because this is a clone happening because an
    immutable thing is now being made mutable. Instead, you should try initializing
    the vectors in the outer function, pass in mutable references to this function,
    and not have this function return anything. */
    let (unaligned_x, unaligned_y) = unaligned_seqs;
    let (aligned_x, aligned_y) = aligned_seqs;

    let (mut row_index, mut column_index) = indices;

    let direction = table[row_index][column_index].1;

    match direction {
        Direction::Diagonal => {
            aligned_x.push(unaligned_x[column_index - 1]);
            aligned_y.push(unaligned_y[row_index - 1]);
            row_index -= 1;
            column_index -= 1;
        }
        Direction::Left => {
            aligned_x.push(unaligned_x[column_index - 1]);
            aligned_y.push(T::from(b'-').unwrap());
            column_index -= 1;
        }
        Direction::Up => {
            aligned_x.push(T::from(b'-').unwrap());
            aligned_y.push(unaligned_y[row_index - 1]);
            row_index -= 1;
        }
        Direction::None => {
            aligned_x.reverse();
            aligned_y.reverse();

            return;
        }
    };

    _traceback_recursive(
        table,
        (row_index, column_index),
        (unaligned_x, unaligned_y),
        (aligned_x, aligned_y),
    )
}

#[cfg(test)]
mod tests {
    use crate::distances::alignment_helpers::compute_nw_table;
    use crate::distances::alignment_helpers::traceback_iterative;
    use crate::distances::alignment_helpers::traceback_recursive;
    use crate::distances::alignment_helpers::Direction;

    #[test]
    fn test_compute_table() {
        let x_u8 = "NAJIBPEPPERSEATS".as_bytes();
        let y_u8 = "NAJIBEATSPEPPERS".as_bytes();
        let table = compute_nw_table(x_u8, y_u8);
        assert_eq!(
            table,
            [
                [
                    (0, Direction::None),
                    (1, Direction::Left),
                    (2, Direction::Left),
                    (3, Direction::Left),
                    (4, Direction::Left),
                    (5, Direction::Left),
                    (6, Direction::Left),
                    (7, Direction::Left),
                    (8, Direction::Left),
                    (9, Direction::Left),
                    (10, Direction::Left),
                    (11, Direction::Left),
                    (12, Direction::Left),
                    (13, Direction::Left),
                    (14, Direction::Left),
                    (15, Direction::Left),
                    (16, Direction::Left)
                ],
                [
                    (1, Direction::Up),
                    (0, Direction::Diagonal),
                    (1, Direction::Left),
                    (2, Direction::Left),
                    (3, Direction::Left),
                    (4, Direction::Left),
                    (5, Direction::Left),
                    (6, Direction::Left),
                    (7, Direction::Left),
                    (8, Direction::Left),
                    (9, Direction::Left),
                    (10, Direction::Left),
                    (11, Direction::Left),
                    (12, Direction::Left),
                    (13, Direction::Left),
                    (14, Direction::Left),
                    (15, Direction::Left)
                ],
                [
                    (2, Direction::Up),
                    (1, Direction::Up),
                    (0, Direction::Diagonal),
                    (1, Direction::Left),
                    (2, Direction::Left),
                    (3, Direction::Left),
                    (4, Direction::Left),
                    (5, Direction::Left),
                    (6, Direction::Left),
                    (7, Direction::Left),
                    (8, Direction::Left),
                    (9, Direction::Left),
                    (10, Direction::Left),
                    (11, Direction::Left),
                    (12, Direction::Diagonal),
                    (13, Direction::Left),
                    (14, Direction::Left)
                ],
                [
                    (3, Direction::Up),
                    (2, Direction::Up),
                    (1, Direction::Up),
                    (0, Direction::Diagonal),
                    (1, Direction::Left),
                    (2, Direction::Left),
                    (3, Direction::Left),
                    (4, Direction::Left),
                    (5, Direction::Left),
                    (6, Direction::Left),
                    (7, Direction::Left),
                    (8, Direction::Left),
                    (9, Direction::Left),
                    (10, Direction::Left),
                    (11, Direction::Left),
                    (12, Direction::Left),
                    (13, Direction::Left)
                ],
                [
                    (4, Direction::Up),
                    (3, Direction::Up),
                    (2, Direction::Up),
                    (1, Direction::Up),
                    (0, Direction::Diagonal),
                    (1, Direction::Left),
                    (2, Direction::Left),
                    (3, Direction::Left),
                    (4, Direction::Left),
                    (5, Direction::Left),
                    (6, Direction::Left),
                    (7, Direction::Left),
                    (8, Direction::Left),
                    (9, Direction::Left),
                    (10, Direction::Left),
                    (11, Direction::Left),
                    (12, Direction::Left)
                ],
                [
                    (5, Direction::Up),
                    (4, Direction::Up),
                    (3, Direction::Up),
                    (2, Direction::Up),
                    (1, Direction::Up),
                    (0, Direction::Diagonal),
                    (1, Direction::Left),
                    (2, Direction::Left),
                    (3, Direction::Left),
                    (4, Direction::Left),
                    (5, Direction::Left),
                    (6, Direction::Left),
                    (7, Direction::Left),
                    (8, Direction::Left),
                    (9, Direction::Left),
                    (10, Direction::Left),
                    (11, Direction::Left)
                ],
                [
                    (6, Direction::Up),
                    (5, Direction::Up),
                    (4, Direction::Up),
                    (3, Direction::Up),
                    (2, Direction::Up),
                    (1, Direction::Up),
                    (1, Direction::Diagonal),
                    (1, Direction::Diagonal),
                    (2, Direction::Left),
                    (3, Direction::Left),
                    (4, Direction::Diagonal),
                    (5, Direction::Left),
                    (6, Direction::Left),
                    (7, Direction::Diagonal),
                    (8, Direction::Left),
                    (9, Direction::Left),
                    (10, Direction::Left)
                ],
                [
                    (7, Direction::Up),
                    (6, Direction::Up),
                    (5, Direction::Diagonal),
                    (4, Direction::Up),
                    (3, Direction::Up),
                    (2, Direction::Up),
                    (2, Direction::Diagonal),
                    (2, Direction::Diagonal),
                    (2, Direction::Diagonal),
                    (3, Direction::Diagonal),
                    (4, Direction::Diagonal),
                    (5, Direction::Diagonal),
                    (6, Direction::Diagonal),
                    (7, Direction::Diagonal),
                    (7, Direction::Diagonal),
                    (8, Direction::Left),
                    (9, Direction::Left)
                ],
                [
                    (8, Direction::Up),
                    (7, Direction::Up),
                    (6, Direction::Up),
                    (5, Direction::Up),
                    (4, Direction::Up),
                    (3, Direction::Up),
                    (3, Direction::Diagonal),
                    (3, Direction::Diagonal),
                    (3, Direction::Diagonal),
                    (3, Direction::Diagonal),
                    (4, Direction::Diagonal),
                    (5, Direction::Diagonal),
                    (6, Direction::Diagonal),
                    (7, Direction::Diagonal),
                    (8, Direction::Diagonal),
                    (7, Direction::Diagonal),
                    (8, Direction::Left)
                ],
                [
                    (9, Direction::Up),
                    (8, Direction::Up),
                    (7, Direction::Up),
                    (6, Direction::Up),
                    (5, Direction::Up),
                    (4, Direction::Up),
                    (4, Direction::Diagonal),
                    (4, Direction::Diagonal),
                    (4, Direction::Diagonal),
                    (4, Direction::Diagonal),
                    (4, Direction::Diagonal),
                    (5, Direction::Diagonal),
                    (5, Direction::Diagonal),
                    (6, Direction::Left),
                    (7, Direction::Left),
                    (8, Direction::Up),
                    (7, Direction::Diagonal)
                ],
                [
                    (10, Direction::Up),
                    (9, Direction::Up),
                    (8, Direction::Up),
                    (7, Direction::Up),
                    (6, Direction::Up),
                    (5, Direction::Up),
                    (4, Direction::Diagonal),
                    (5, Direction::Diagonal),
                    (4, Direction::Diagonal),
                    (4, Direction::Diagonal),
                    (5, Direction::Diagonal),
                    (5, Direction::Diagonal),
                    (6, Direction::Diagonal),
                    (6, Direction::Diagonal),
                    (7, Direction::Diagonal),
                    (8, Direction::Diagonal),
                    (8, Direction::Up)
                ],
                [
                    (11, Direction::Up),
                    (10, Direction::Up),
                    (9, Direction::Up),
                    (8, Direction::Up),
                    (7, Direction::Up),
                    (6, Direction::Up),
                    (5, Direction::Up),
                    (4, Direction::Diagonal),
                    (5, Direction::Up),
                    (5, Direction::Diagonal),
                    (4, Direction::Diagonal),
                    (5, Direction::Left),
                    (6, Direction::Diagonal),
                    (6, Direction::Diagonal),
                    (7, Direction::Diagonal),
                    (8, Direction::Diagonal),
                    (9, Direction::Diagonal)
                ],
                [
                    (12, Direction::Up),
                    (11, Direction::Up),
                    (10, Direction::Up),
                    (9, Direction::Up),
                    (8, Direction::Up),
                    (7, Direction::Up),
                    (6, Direction::Diagonal),
                    (5, Direction::Up),
                    (4, Direction::Diagonal),
                    (5, Direction::Diagonal),
                    (5, Direction::Up),
                    (5, Direction::Diagonal),
                    (6, Direction::Diagonal),
                    (7, Direction::Diagonal),
                    (7, Direction::Diagonal),
                    (8, Direction::Diagonal),
                    (9, Direction::Diagonal)
                ],
                [
                    (13, Direction::Up),
                    (12, Direction::Up),
                    (11, Direction::Up),
                    (10, Direction::Up),
                    (9, Direction::Up),
                    (8, Direction::Up),
                    (7, Direction::Diagonal),
                    (6, Direction::Up),
                    (5, Direction::Diagonal),
                    (4, Direction::Diagonal),
                    (5, Direction::Left),
                    (6, Direction::Diagonal),
                    (6, Direction::Diagonal),
                    (7, Direction::Diagonal),
                    (8, Direction::Diagonal),
                    (8, Direction::Diagonal),
                    (9, Direction::Diagonal)
                ],
                [
                    (14, Direction::Up),
                    (13, Direction::Up),
                    (12, Direction::Up),
                    (11, Direction::Up),
                    (10, Direction::Up),
                    (9, Direction::Up),
                    (8, Direction::Up),
                    (7, Direction::Diagonal),
                    (6, Direction::Up),
                    (5, Direction::Up),
                    (4, Direction::Diagonal),
                    (5, Direction::Left),
                    (6, Direction::Left),
                    (6, Direction::Diagonal),
                    (7, Direction::Left),
                    (8, Direction::Left),
                    (9, Direction::Diagonal)
                ],
                [
                    (15, Direction::Up),
                    (14, Direction::Up),
                    (13, Direction::Up),
                    (12, Direction::Up),
                    (11, Direction::Up),
                    (10, Direction::Up),
                    (9, Direction::Up),
                    (8, Direction::Up),
                    (7, Direction::Up),
                    (6, Direction::Up),
                    (5, Direction::Up),
                    (4, Direction::Diagonal),
                    (5, Direction::Left),
                    (6, Direction::Left),
                    (7, Direction::Diagonal),
                    (8, Direction::Diagonal),
                    (9, Direction::Diagonal)
                ],
                [
                    (16, Direction::Up),
                    (15, Direction::Up),
                    (14, Direction::Up),
                    (13, Direction::Up),
                    (12, Direction::Up),
                    (11, Direction::Up),
                    (10, Direction::Up),
                    (9, Direction::Up),
                    (8, Direction::Up),
                    (7, Direction::Up),
                    (6, Direction::Up),
                    (5, Direction::Up),
                    (4, Direction::Diagonal),
                    (5, Direction::Left),
                    (6, Direction::Left),
                    (7, Direction::Left),
                    (8, Direction::Diagonal)
                ]
            ]
        );
    }

    #[test]
    fn test_traceback_recursive() {
        let peppers_x = "NAJIBPEPPERSEATS".as_bytes();
        let peppers_y = "NAJIBEATSPEPPERS".as_bytes();
        let peppers_table: Vec<Vec<(usize, Direction)>> = compute_nw_table(peppers_x, peppers_y);
        let (aligned_x, aligned_y) = traceback_recursive(&peppers_table, (peppers_x, peppers_y));

        assert_eq!(
            (aligned_x.clone(), aligned_y.clone()),
            (
                [78, 65, 74, 73, 66, 45, 80, 69, 80, 80, 69, 82, 83, 69, 65, 84, 83].to_vec(),
                [78, 65, 74, 73, 66, 69, 65, 84, 83, 80, 69, 80, 80, 69, 45, 82, 83].to_vec()
            )
        );

        assert_eq!(
            (
                std::str::from_utf8(&aligned_x).unwrap(),
                std::str::from_utf8(&aligned_y).unwrap()
            ),
            ("NAJIB-PEPPERSEATS", "NAJIBEATSPEPPE-RS")
        );

        let guilty_x = "NOTGUILTY".as_bytes();
        let guilty_y = "NOTGUILTY".as_bytes();
        let guilty_table: Vec<Vec<(usize, Direction)>> = compute_nw_table(guilty_x, guilty_y);
        let (aligned_x, aligned_y) = traceback_recursive(&guilty_table, (guilty_x, guilty_y));
        assert_eq!(
            (aligned_x.clone(), aligned_y.clone()),
            (
                [78, 79, 84, 71, 85, 73, 76, 84, 89].to_vec(),
                [78, 79, 84, 71, 85, 73, 76, 84, 89].to_vec()
            )
        );
        assert_eq!(
            (
                std::str::from_utf8(&aligned_x).unwrap(),
                std::str::from_utf8(&aligned_y).unwrap()
            ),
            ("NOTGUILTY", "NOTGUILTY")
        );
    }

    #[test]
    fn test_traceback_iterative() {
        let x_u8 = "NAJIBPEPPERSEATS".as_bytes();
        let y_u8 = "NAJIBEATSPEPPERS".as_bytes();
        let table1: Vec<Vec<(usize, Direction)>> = compute_nw_table(x_u8, y_u8);
        let nw_u8 = traceback_iterative(&table1, (x_u8, y_u8));
        assert_eq!(
            nw_u8,
            (
                [78, 65, 74, 73, 66, 45, 80, 69, 80, 80, 69, 82, 83, 69, 65, 84, 83].to_vec(),
                [78, 65, 74, 73, 66, 69, 65, 84, 83, 80, 69, 80, 80, 69, 45, 82, 83].to_vec()
            ),
        );
    }
}