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
extern crate nalgebra;
use nalgebra::DMat;
use std::fmt::{Debug, Formatter, Result};
pub struct SmithWaterman {
pub genome_sequence: Vec<char>,
pub read_sequence: Vec<char>,
pub matrix: DMat<isize>,
pub matched: isize,
pub missed: isize,
}
pub enum GraphMovements {Blank, Left, Top, Diagonal}
impl SmithWaterman{
pub fn new(genome_sequence: String, read_sequence: String) -> SmithWaterman {
let matrix = DMat::new_zeros(0,0);
SmithWaterman{matrix: matrix, genome_sequence: genome_sequence.chars().collect(),
read_sequence: read_sequence.chars().collect(), matched: 2, missed: -1}
}
pub fn new_chars(genome_sequence: Vec<char>, read_sequence: Vec<char>) -> SmithWaterman {
let matrix = DMat::new_zeros(0,0);
SmithWaterman{matrix: matrix, genome_sequence: genome_sequence,
read_sequence: read_sequence, matched: 2, missed: -1}
}
fn penalty(&self, value: isize, penalty_value: isize) -> isize{
match value.checked_add(penalty_value){
Some(i) =>{
if i<0 { 0 }else { i }
},
_ => {0}
}
}
pub fn align(&mut self) -> (String, String){
let max_point = self.set_matrix_loops();
return self.local_alignment(max_point);
}
pub fn align_fn(&mut self) -> (String, String){
let max_point = self.set_matrix_fn();
return self.local_alignment(max_point);
}
pub fn set_matrix_fn(&mut self) -> (usize, usize) {
let mut max_point = (0,0);
let mut max = 0;
let rows = self.read_sequence.len()+1;
let cols = self.genome_sequence.len()+1;
self.matrix = nalgebra::DMat::new_zeros(self.read_sequence.len()+1, self.genome_sequence.len()+1);
for i in (0..rows * cols){
let col = i / rows;
let row = i - col * rows;
let n = self.calculated_movement(row, col);
if n >= max{
max = n;
max_point = (row,col);
}
self.matrix[(row, col)]=n;
}
return max_point;
}
fn calculated_movement(&self, row: usize, col: usize) -> isize{
let left = if col>=1 {self.penalty(self.matrix[(row, col-1)], self.missed)} else {0};
let top = if row>=1 {self.penalty(self.matrix[(row-1, col)], self.missed)} else {0};
let diagonal_value = if row>=1 && col>=1 {self.matrix[(row-1, col-1)]} else {0};
let diagonal_match = if row == 0 || col == 0{
0
}else if self.read_sequence.get(row-1).unwrap() == self.genome_sequence.get(col-1).unwrap(){
self.penalty(diagonal_value, self.matched)
}else{
self.penalty(diagonal_value, self.missed)
};
std::cmp::max(left, std::cmp::max(top, diagonal_match))
}
pub fn set_matrix_loops(&mut self) -> (usize, usize) {
self.matrix = nalgebra::DMat::new_zeros(self.read_sequence.len()+1, self.genome_sequence.len()+1);
let mut max_point = (0,0);
let mut max = 0;
for row in (1..self.read_sequence.len()+1){
for col in (1..self.genome_sequence.len()+1){
let n = self.calculated_movement(row, col);
if n >= max{
max = n;
max_point = (row,col);
}
self.matrix[(row, col)] = n;
}
}
return max_point;
}
fn local_alignment(&self, max_point_value: (usize, usize)) -> (String, String){
let mut max_point = max_point_value;
let mut max = self.matrix[max_point];
let mut last_movement = GraphMovements::Blank;
let mut genome_sequence_alignment: Vec<char> = Vec::with_capacity(self.genome_sequence.len());
let mut read_sequence_alignment: Vec<char> = Vec::with_capacity(self.read_sequence.len());
while max > 0 {
let (row, col) = max_point;
let one = self.genome_sequence.get(col-1).unwrap().clone();
let two = self.read_sequence.get(row-1).unwrap().clone();
let top = self.matrix[(row-1, col)];
let left = self.matrix[(row, col-1)];
let diagonal = self.matrix[(row-1, col-1)];
max = std::cmp::max(left, std::cmp::max(top, diagonal));
max_point = if diagonal == max{
last_movement = GraphMovements::Diagonal;
(row-1, col-1)
} else if left == max{
last_movement = GraphMovements::Left;
(row, col-1)
} else {
last_movement = GraphMovements::Top;
(row-1, col)
};
match last_movement {
GraphMovements::Blank => {
genome_sequence_alignment.push(one);
read_sequence_alignment.push(two);
},
GraphMovements::Diagonal => {
genome_sequence_alignment.push(one);
read_sequence_alignment.push(two);
},
GraphMovements::Top => {
genome_sequence_alignment.push('-');
read_sequence_alignment.push(two);
},
GraphMovements::Left => {
genome_sequence_alignment.push(one);
read_sequence_alignment.push('-');
},
}
};
genome_sequence_alignment.reverse();
let x1: String = genome_sequence_alignment.into_iter().collect();
read_sequence_alignment.reverse();
let x2: String = read_sequence_alignment.into_iter().collect();
return (x1,x2)
}
}
impl Debug for SmithWaterman {
fn fmt(&self, form:&mut Formatter) -> Result {
for row in 0..self.matrix.nrows()+1 {
for col in 0..self.matrix.ncols()+1 {
let _ = if col==0 && row>1{
write!(form, "{:>5}", self.read_sequence.get(row-2).unwrap().to_string())
} else if row==0 && col>1{
write!(form, "{:>5}", self.genome_sequence.get(col-2).unwrap().to_string())
} else if row>=1 && col>=1{
write!(form, "{:>5}", self.matrix[(row-1,col-1)])
}else{
write!(form, "{:>5}", "-")
};
}
let _ = write!(form, "\n");
}
write!(form, "\n")
}
}
#[test]
fn its_debugging() {
let mut smitty = SmithWaterman::new("atgcatgcatgc".to_string(), "atgggcatg".to_string());
let alignment = smitty.align();
println!("{:?}", smitty);
println!("{:?}", alignment);
let mut smitty =
SmithWaterman::new_chars("ACACACTA".chars().collect(),"AGCACACA".chars().collect());
let alignment = smitty.align_fn();
println!("fn::{:?}", smitty);
println!("fn::{:?}", alignment);
}