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
|
/*
* Copyright (c) 2010 Nicolaus Lance Hepler
*
*
* Permission is hereby granted, free of charge, to any person
* obtaining a copy of this software and associated documentation
* files (the "Software"), to deal in the Software without
* restriction, including without limitation the rights to use,
* copy, modify, merge, publish, distribute, sublicense, and/or sell
* copies of the Software, and to permit persons to whom the
* Software is furnished to do so, subject to the following
* conditions:
*
* The above copyright notice and this permission notice shall be
* included in all copies or substantial portions of the Software.
*
* THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND,
* EXPRESS OR IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES
* OF MERCHANTABILITY, FITNESS FOR A PARTICULAR PURPOSE AND
* NONINFRINGEMENT. IN NO EVENT SHALL THE AUTHORS OR COPYRIGHT
* HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER LIABILITY,
* WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING
* FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR
* OTHER DEALINGS IN THE SOFTWARE.
*/
// Note: That's an MIT license.
// All double-commented comments below are from Nicolaus Lance Hepler.
// Original repository: https://code.google.com/archive/p/swalign/
/* Tao Liu made some modifications.... Note to myself: maybe I should use ksw.c/h instead */
#include "swalign.h"
#define GAPO -10.0
#define GAPE -2.0
#define MATCH 2.0
#define MISMATCH -3.0 /* the scoring parameters are from BLASTN default */
// ABCDEFGHIJKLMNOPQRSTUVWXYZ[\\]^_`abcdefghijklmnopqrstuvwxyz
#define TRANS "TVGHEFCDIJMLKNOPQYWAABSXRZ[\\]^_`tvghefcdijmlknopqywaabsxrz"
#define TRANS_OFFSET 65
#define STOP 0
#define LEFT 1
#define DIAGONAL 2
#define UP 3
// /* reverse a string str0 in place, return str */
static char* reverse(char *str, unsigned int l) {
char *left = str;
char *right = left + l - 1;
char tmp;
while (left < right) {
tmp = *left;
*(left++) = *right;
*(right--) = tmp;
}
*(str+l) = '\0';
return str;
}
// Return the reverse complement of a sequence.
char* revcomp(char *str) {
char *left = str;
char *right = left + strlen(str) - 1;
char tmp;
while (left < right) {
tmp = get_char_comp(*left);
*(left++) = get_char_comp(*right);
*(right--) = tmp;
}
return str;
}
// Return the complement of a base.
// Uses a simple lookup table: a string with the complements of all possible sequence characters.
static char get_char_comp(char c) {
int i = c - TRANS_OFFSET;
if (i < 0 || i > 57) {
return c;
} else {
return TRANS[i];
}
}
// return the alignment of two sequences
static align_t *traceback(seq_pair_t *problem, unsigned short *S, int row, int col, float score, unsigned short *ngap_vertical, unsigned short *ngap_horizontal) {
unsigned int l, l2;
unsigned int m = problem->alen + 1;
unsigned int n = problem->blen + 1;
align_t *result = malloc(sizeof(align_t));
seq_pair_t *seqs = malloc(sizeof(seq_pair_t));
int max_len = problem->alen + problem->blen; /* maximum length of alignment */
char reversed1[max_len]; /* reversed sequence #1 */
char reversed2[max_len]; /* reversed sequence #2 */
char reversed3[max_len]; /* reversed markup */
unsigned int len1 = 0; /* length of seq #1 in alignment */
unsigned int len2 = 0; /* length of seq #2 in alignment */
unsigned int len3 = 0; /* length of the markup line in alignment */
unsigned int identity = 0; // count of identitcal pairs
unsigned int gaps = 0; // count of gaps
char c1, c2;
int i = row; // traceback start row
int j = col; // traceback start col
int k = i * n;
bool still_going = true; // traceback flag: true -> continue & false -> stop
while ( still_going ) {
switch ( S[k+j] ) {
case UP:
for (l = 0, l2 = ngap_vertical[k + j]; l < l2; l++) {
reversed1[len1++] = problem->a[--i];
reversed2[len2++] = '-';
reversed3[len3++] = ' ';
k -= n;
gaps++;
}
break;
case DIAGONAL:
c1 = problem->a[--i];
c2 = problem->b[--j];
k -= n;
reversed1[len1++] = c1;
reversed2[len2++] = c2;
if (c1 == c2) {
reversed3[len3++] = '|';
identity++;
} else
reversed3[len3++] = '.';
break;
case LEFT:
for (l = 0, l2 = ngap_horizontal[k + j]; l < l2; l++) {
reversed1[len1++] = '-';
reversed2[len2++] = problem->b[--j];
reversed3[len3++] = ' ';
gaps++;
}
break;
case STOP:
still_going = false;
}
}
seqs->a = malloc(sizeof(char) * (len1 + 1) );
seqs->b = malloc(sizeof(char) * (len2 + 1) );
result->markup = malloc(sizeof(char) * (len3 + 1) );
memset(seqs->a, '\0', sizeof(char) * (len1 + 1));
memset(seqs->b, '\0', sizeof(char) * (len2 + 1));
memset(result->markup, '\0', sizeof(char) * (len3 + 1) );
reverse(reversed1, len1);
reverse(reversed2, len2);
reverse(reversed3, len3);
strcpy(seqs->a, reversed1);
strcpy(seqs->b, reversed2);
strcpy(result->markup, reversed3);
seqs->alen = k;
seqs->blen = k;
result->seqs = seqs;
result->score = score;
result->matches = identity;
result->gaps = gaps;
result->start_a = i;
result->start_b = j;
result->end_a = row;
result->end_b = col;
//printf("%d %d %d",len1, len2, len3);
return result;
}
void destroy_seq_pair(seq_pair_t *pair) {
free(pair->a);
free(pair->b);
free(pair);
return;
}
void destroy_align(align_t *ali) {
destroy_seq_pair( ali->seqs );
free(ali->markup);
return;
}
//align_t *smith_waterman(seq_pair_t *problem, bool local) {
align_t *smith_waterman(seq_pair_t *problem) {
unsigned int m = problem->alen + 1;
unsigned int n = problem->blen + 1;
/* traceback matrix */
unsigned short *S = malloc(sizeof(unsigned short) * m * n); /* 0 = STOP; 1 = LEFT; 2 = DIAGONAL; 3 = UP */
/* number of vertical gaps for each cell */
unsigned short *ngap_vertical = malloc(sizeof(unsigned short) * m * n);
/* number of horizontal gaps for each cell */
unsigned short *ngap_horizontal = malloc(sizeof(unsigned short) * m * n);
align_t *result;
unsigned int i, j, k, l;
float f; /* score of final alignment */
float * g = malloc(sizeof(float) * n); /* score if x_i aligns to a gap after y_i */
float h; /* score if y_i aligns to a gap after x_i */
float * v = malloc(sizeof(float) * n); /* best of score of alignment x_1 ... x_i to y_1 ... y_i */
float v_diagonal;
float sim_score, g1, g2, h1, h2;
/* row and col number, and score of optimal cell in the matrix */
unsigned int t_row, t_col;
float t_score;
/* Initialize traceback matrix */
for ( i = 0, k = 0; i < m; i++, k+= n )
S[k] = STOP;
for ( j = 1; j < n; j++ )
S[j] = STOP;
/* set number of gaps */
for (i = 0, k = 0; i < m; i++, k += n)
for (j = 0; j < n; j++)
ngap_vertical[k + j] = ngap_horizontal[k + j] = 1;
g[0] = -INFINITY;
h = -INFINITY;
v[0] = 0;
t_row = 0;
t_col = 0;
t_score = -INFINITY;
for ( j = 1; j < n; j++ ) {
g[j] = -INFINITY;
v[j] = 0;
}
for (i = 1, k = n; i < m; i++, k += n) { /* i for row number/# on seq1; k for position of first column in m*n matrix; */
h = -INFINITY;
v_diagonal = v[0];
for (j = 1, l = k + 1; j < n; j++, l++) { /* j for column number/# on seq2; l for position of ith row jth column in m*n matrix; */
sim_score = (strncmp(problem->a+(i-1), problem->b+(j-1), 1) == 0) ? MATCH : MISMATCH;
/* set direction in traceback matrix */
f = v_diagonal + sim_score;
g1 = g[j] + GAPE;
g2 = v[j] + GAPO;
if ( g1 > g2 ) { /* perfer gap extension in vertical direction (seq 1) */
g[j] = g1;
ngap_vertical[l] = (short) (ngap_vertical[l - n] + 1);
} else { /* prefer gap openning */
g[j] = g2;
}
h1 = h + GAPE;
h2 = v[j-1] + GAPO;
if (h1 > h2) { /* prefer gap extention in horizontal direction ( seq 2) */
h = h1;
ngap_horizontal[l] = (short) (ngap_horizontal[l - 1] + 1);
} else {
h = h2;
}
v_diagonal = v[j];
//v[j] = max( f, g[j], h, 0 ); /* the final score */
/* Determine the traceback direction */
if ( f <= 0 && g[j] <=0 && h <=0 ) { /* 0 is max */
v[j] = 0;
S[l] = STOP;
}
else if ( g[j] <= f && h <= f ) { /* or f is max */
v[j] = f;
S[l] = DIAGONAL;
}
else if ( h <= g[j]) { /* or g[j] is max */
v[j] = g[j];
S[l] = UP;
}
else { /* or h is max */
v[j] = h;
S[l] = LEFT;
}
// Set the traceback start at the current cell i, j and score
if (v[j] > t_score) {
t_row = i;
t_col = j;
t_score = v[j];
}
}
}
result = traceback(problem, S, t_row, t_col, t_score, ngap_vertical, ngap_horizontal);
// print_matrix(S, problem);
free(S);
free(g);
free(v);
free(ngap_vertical);
free(ngap_horizontal);
return result;
}
void print_alignment(align_t *result) {
printf("Score: %0.0f Matches: %d Gaps: %d\n", result->score, result->matches, result->gaps);
printf("Target: %3d %s %-3d\n", result->start_a, result->seqs->a, result->end_a);
printf(" %s \n", result->markup);
printf("Query: %3d %s %-3d\n", result->start_b, result->seqs->b, result->end_b);
}
int main(int argc, const char **argv) {
if (argc != 3) {
printf("usage: swalign TARGET_SEQ QUERY_SEQ\n");
exit(1);
}
{
seq_pair_t problem;
align_t *result;
char c[strlen(argv[1])], d[strlen(argv[2])];
strcpy(c, argv[1]);
strcpy(d, argv[2]);
problem.a = c;
problem.alen = strlen(problem.a);
problem.b = d;
problem.blen = strlen(problem.b);
result = smith_waterman(&problem);
print_alignment(result);
}
exit(0);
}
|