File: sumatra.c

package info (click to toggle)
sumatra 1.0.36%2Bds-3
  • links: PTS, VCS
  • area: main
  • in suites: forky, sid
  • size: 356 kB
  • sloc: ansic: 651; sh: 127; makefile: 60
file content (516 lines) | stat: -rw-r--r-- 16,712 bytes parent folder | download | duplicates (3)
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
/**
 * FileName:    sumatra.c
 * Authors:      Eric Coissac, Celine Mercier
 * Description: computation of pairwise similarities of DNA sequences
 * **/

#include "sumatra.h"

#include <stdio.h>
#include <stdlib.h>
#include <unistd.h>
#include <math.h>
#include <string.h>

#include <sys/time.h>

#include "libfasta/sequence.h"
#include "liblcs/upperband.h"
#include "liblcs/sse_banded_LCS_alignment.h"
#include "libutils/utilities.h"
#include "mtcompare_sumatra.h"

#define VERSION "1.0.36"


/* ----------------------------------------------- */
/* printout help                                   */
/* ----------------------------------------------- */
#define PP fprintf(stdout,

static void PrintHelp()
{
        PP      "-----------------------------------------------------------------------------------------------------------------------------\n");
        PP      " SUMATRA Version %s\n", VERSION);
        PP      "-----------------------------------------------------------------------------------------------------------------------------\n");
        PP      " Synopsis : sumatra computes all the pairwise LCS (Longest Common Subsequence) scores\n");
        PP		" of one nucleotide dataset or between two nucleotide datasets.\n");
        PP      " Usage: sumatra [options] <dataset1> [dataset2]\n");
        PP      "-----------------------------------------------------------------------------------------------------------------------------\n");
        PP      " Options:\n\n");
        PP      " -h       : [H]elp - print <this> help\n\n");
        PP      " -l       : Reference sequence length is the shortest. \n\n");
        PP      " -L       : Reference sequence length is the largest. \n\n");
        PP      " -a       : Reference sequence length is the alignment length (default). \n\n");
        PP      " -n       : Score is normalized by reference sequence length (default).\n\n");
        PP      " -r       : Raw score, not normalized. \n\n");
        PP      " -d       : Score is expressed in distance (default: score is expressed in similarity). \n\n");
        PP      " -t ##.## : Score threshold. If the score is normalized and expressed in similarity (default),\n");
        PP		"            it is an identity, e.g. 0.95 for an identity of 95%%. If the score is normalized\n");
        PP		"            and expressed in distance, it is (1.0 - identity), e.g. 0.05 for an identity of 95%%.\n");
        PP		"            If the score is not normalized and expressed in similarity, it is the length of the\n");
        PP		"            Longest Common Subsequence. If the score is not normalized and expressed in distance,\n");
        PP		"            it is (reference length - LCS length).\n");
        PP		"            Only sequence pairs with a similarity above ##.## are printed. Default: 0.00 \n");
        PP		"            (no threshold).\n\n");
        PP      " -p ##    : Number of threads used for computation (default=1).\n\n");
        PP      " -g       : n's are replaced with a's (default: sequences with n's are discarded).\n");
        PP      " -x       : Adds four extra columns with the count and length of both sequences.\n");
        PP      "-----------------------------------------------------------------------------------------------------------------------------\n");
        PP      " First argument  : the nucleotide dataset to analyze (or nothing   \n");
        PP      "                   if there is only one dataset and the standard   \n");
        PP		"                   input should be used).                        \n\n");
        PP      " Second argument : optionally the second nucleotide dataset\n");
        PP      "-----------------------------------------------------------------------------------------------------------------------------\n");
        PP      " Results table description : \n");
        PP      " column 1 : Identifier sequence 1\n");
        PP      " column 2 : Identifier sequence 2\n");
        PP      " column 3 : Score\n");
        PP      " column 4 : Count of sequence 1  (only with option -x)\n");
        PP      " column 5 : Count of sequence 2  (only with option -x)\n");
        PP      " column 6 : Length of sequence 1 (only with option -x)\n");
        PP      " column 7 : Length of sequence 2 (only with option -x)\n");
        PP      "-----------------------------------------------------------------------------------------------------------------------------\n");
        PP		" http://metabarcoding.org/sumatra\n");
        PP      "-----------------------------------------------------------------------------------------------------------------------------\n\n");
}

#undef PP

/* ----------------------------------------------- */
/* printout usage and exit                         */
/* ----------------------------------------------- */

#define PP fprintf(stderr,

static void ExitUsage(stat)
        int stat;
{
        PP      "usage: sumatra [-l|L|a|n|r|d|g|x] [-t threshold_value] [-p number of threads] [dataset1] [dataset2]\n");
        PP      "type \"sumatra -h\" for help\n");

        if (stat)
            exit(stat);
}

#undef  PP


void printResults(fastaSeqPtr seq1,fastaSeqPtr seq2,
			      double score,
			      BOOL extradata,
			      int64_t pairs,
			      BOOL print)
{
	static struct timeval start;
	static struct timeval lastprint;
	static BOOL first=TRUE;
	static uint64_t aligned=0;

	struct timeval current;
	double  fraction;
	time_t fulltime;
	time_t remaintime;
	double elapsedtime;
	int32_t day;
	int32_t hour;
	int32_t minute;
	int32_t seconde;


	aligned++;

	if (first)
	{
		first=FALSE;
		gettimeofday(&start,NULL);
		lastprint=start;
	}

	gettimeofday(&current,NULL);

	if (current.tv_sec!=lastprint.tv_sec)
	{
		lastprint=current;
		fraction = (double)aligned/(double)pairs;
		elapsedtime = difftime(current.tv_sec,start.tv_sec);
		fulltime = elapsedtime / fraction;
		remaintime = (time_t)difftime(fulltime,(time_t)elapsedtime);


		fprintf(stderr,
				"Computed %lld / %lld -> %5.2lf%%",
				aligned, pairs, fraction*100.
				);
		seconde = fulltime % 60;
		minute  = fulltime / 60;
		hour    = minute / 60;
		minute  = minute % 60;
		day     = hour / 24;
		hour    = hour % 24;
		if (day)
		fprintf(stderr,
				", estimated computation time = %3d days %02d:%02d:%02d",
				day,
				hour,
				minute,
				seconde
				);
		else
			fprintf(stderr,
					", estimated computation time = %02d:%02d:%02d",
					hour,
					minute,
					seconde
					);

		seconde = remaintime % 60;
		minute  = remaintime / 60;
		hour    = minute / 60;
		minute  = minute % 60;
		day     = hour / 24;
		hour    = hour % 24;
		if (day)
		fprintf(stderr,
				", about %3d days %02d:%02d:%02d remaining                  \r",
				day,
				hour,
				minute,
				seconde
				);
		else
			fprintf(stderr,
					", about %02d:%02d:%02d remaining                  \r",

					hour,
					minute,
					seconde
					);

	}

	if (print)
	{

	if (extradata)
		printf("%s\t%s\t%lf\t%d\t%d\t%d\t%d\n", seq1->accession_id,
										seq2->accession_id,
										score,
										seq1->count,
										seq2->count,
										seq1->length,
										seq2->length
		      );
	else
		printf("%s\t%s\t%lf\n", seq1->accession_id,
				seq2->accession_id,
				score);
	}
}


int compare1(fastaSeqCount db1, double threshold, BOOL normalize, int reference, BOOL lcsmode, BOOL extradata)
{
	BOOL     always = TRUE;
	int64_t  pairs = (int64_t)(db1.count - 1) * (int64_t)db1.count /2;
	BOOL     print;
	double   score, scoreG;
	int32_t  i,j;
	char* s1;
	char* s2;
	int l1;
	int l2;
	int16_t* iseq1;
	int16_t* iseq2;
	int16_t* address;
	int sizeForSeqs;
	int lmax, lmin;
	int LCSmin;

	fprintf(stderr,"Pairwise alignments of one dataset against itself\n");
	fprintf(stderr,"Count of alignments to do : %lld\n",pairs);

	if (threshold > 0)
	{
		fprintf(stderr,"Computing for scores > %lf\n",threshold);
		always = FALSE;
	}

	calculateMaxAndMinLenDB(db1, &lmax, &lmin);
	sizeForSeqs = prepareTablesForSumathings(lmax, lmin, threshold, normalize, reference, lcsmode, &address, &iseq1, &iseq2);

	for (i=0; i < db1.count; i++) // ...?? db1.count - 1 probably
		for (j=i+1; j < db1.count; j++)
		{
			print = FALSE;
			filtersSumatra(db1.fastaSeqs+i, db1.fastaSeqs+j, threshold, normalize, reference, lcsmode, &score, &LCSmin);
			if (score >= 0) // identical sequences
				print = TRUE;
			else if (always || (score == -1.0))	// filter passed or no threshold
			{
				s1 = (db1.fastaSeqs+i)->sequence;
				l1 = (db1.fastaSeqs+i)->length;
				s2 = (db1.fastaSeqs+j)->sequence;
				l2 = (db1.fastaSeqs+j)->length;

/*				fprintf(stderr, "\n%s", s1);
				fprintf(stderr, "\n%s", s2);
				fprintf(stderr, "\n%f", threshold);
				fprintf(stderr, "\n%d", normalize);
				fprintf(stderr, "\n%d", reference);
				fprintf(stderr, "\n%d\n", lcsmode);
*/
//				score = generic_sse_banded_lcs_align(s1, s2, threshold, normalize, reference, lcsmode);
//				fprintf(stderr, "\nscore generic = %f", scoreG);
				score = alignForSumathings(s1, iseq1, s2, iseq2, l1, l2, normalize, reference, lcsmode, address, sizeForSeqs, LCSmin);
//				fprintf(stderr, "\nscore = %f\n", score);
//				if (scoreG != score)
//				{
//					fprintf(stderr, "\nscores differents\n");
//					exit(1);
//				}
				print = always || (((normalize || lcsmode) && (score >= threshold)) || ((!lcsmode && !normalize) && (score <= threshold)));
				if (print && !lcsmode && normalize)
					score = 1.0 - score;
			}
			printResults(db1.fastaSeqs+i, db1.fastaSeqs+j, score, extradata, pairs, print);
		}

	free(iseq1-sizeForSeqs+lmax);
	free(iseq2-sizeForSeqs+lmax);
	return 0;
}


int compare2(fastaSeqCount db1, fastaSeqCount db2, double threshold, BOOL normalize, int reference, BOOL lcsmode, BOOL extradata)
{
	BOOL     always = TRUE;
	int64_t  pairs = (int64_t)(db1.count) * (int64_t)(db2.count);
	BOOL     print;
	double   score;
	int32_t  i,j;
	char* s1;
	char* s2;
	int l1;
	int l2;
	int16_t* iseq1;
	int16_t* iseq2;
	int16_t* address;
	int sizeForSeqs;
	int lmax;
	int lmax1;
	int lmin;
	int lmin1;
	int LCSmin;

	fprintf(stderr,"Pairwise alignments of two datasets\n");
	fprintf(stderr,"Count of alignments to do : %lld\n",pairs);

	if (threshold > 0)
	{
		fprintf(stderr,"Computing for scores > %lf\n",threshold);
		always = FALSE;
	}

	calculateMaxAndMinLenDB(db1, &lmax, &lmin);
	calculateMaxAndMinLenDB(db2, &lmax1, &lmin1);

	if (lmax1 > lmax)
		lmax = lmax1;
	if (lmin1 < lmin)
		lmin = lmin1;

	sizeForSeqs = prepareTablesForSumathings(lmax, lmin, threshold, normalize, reference, lcsmode, &address, &iseq1, &iseq2);

	for (i=0; i < db1.count; i++)
		for (j=0; j < db2.count; j++)
		{
			print = FALSE;
			filtersSumatra(db1.fastaSeqs+i, db2.fastaSeqs+j, threshold, normalize, reference, lcsmode, &score, &LCSmin);
			if (score >= 0) // identical sequences
				print = TRUE;
			else if (always || (score == -1.0))	// filter passed or no threshold
			{
				s1 = (db1.fastaSeqs+i)->sequence;
				l1 = (db1.fastaSeqs+i)->length;
				s2 = (db2.fastaSeqs+j)->sequence;
				l2 = (db2.fastaSeqs+j)->length;
				score = alignForSumathings(s1, iseq1, s2, iseq2, l1, l2, normalize, reference, lcsmode, address, sizeForSeqs, LCSmin);
				print = always || (((normalize || lcsmode) && (score >= threshold)) || ((!lcsmode && !normalize) && (score <= threshold)));
				if (print && !lcsmode && normalize)
					score = 1.0 - score;	// TODO isn't that already done?
			}
			printResults(db1.fastaSeqs+i, db2.fastaSeqs+j, score, extradata, pairs, print);
		}

	free(iseq1-sizeForSeqs+lmax);
	free(iseq2-sizeForSeqs+lmax);
	return 0;
}


int main(int argc, char **argv)
{

	int32_t     	carg		= 0;
	int32_t         errflag     = 0;
	BOOL            normalize   = TRUE;
	BOOL            lcsmode     = TRUE;
	int             reference   = ALILEN;
	BOOL            extradata   = FALSE;
	BOOL			onlyATGC	   = TRUE;
	double          threshold   = 0.0;
	int             ndb         = 0;
	int				nproc       = 1;
	fastaSeqCount   db1;
	fastaSeqCount   db2;

	while ((carg = getopt(argc, argv, "hlLanrdt:p:gx")) != -1) {
	    switch (carg) {
								   /* -------------------- */
	    case 'h':                  /* help                 */
								   /* -------------------- */
	    	PrintHelp();
	    	exit(0);
	    	break;

									  /* -------------------------------------------------- */
	    case 'l':               	  /* Normalize LCS/Error by the shortest sequence length*/
									  /* -------------------------------------------------- */
	    	reference=MINLEN;
	        break;

									  /* -------------------------------------------------- */
	    case 'L':               	  /* Normalize LCS/Error by the largest sequence length */
									  /* -------------------------------------------------- */
	    	reference=MAXLEN;
	        break;

	          	  	  	  	  	  	  /* -------------------------------------------------- */
	    case 'a':               	  /* Normalize LCS/Error by the alignment length        */
	    	   	   	   	   	   	   	  /* -------------------------------------------------- */
	    	reference=ALILEN;
	    	break;

									  /* -------------------------------------------------- */
	    case 'n':               	  /* Normalize LCS by the reference length              */
									  /* -------------------------------------------------- */
	    	normalize=TRUE;
	    	break;

	    								/* -------------------------------------------------- */
		case 'r':   					/* No normalization     				              */
					  	  	  	  	  	/* -------------------------------------------------- */
			normalize=FALSE;
			break;

									  /* -------------------------------------------------- */
	    case 'd':               	  /* Score is expressed in distance                  */
								      /* -------------------------------------------------- */
	    	lcsmode=FALSE;
	    	break;

						/* ------------------------------------------------------------------- */
		case 't':   	/* Prints only pairs with similarity higher than (threshold)         */
						/* ------------------------------------------------------------------- */
	    	sscanf(optarg,"%lf",&threshold);
	    	break;

							 /* -------------------------------------------------- */
	    case 'p':            /* number of processors to use                        */
							 /* -------------------------------------------------- */
	    	sscanf(optarg,"%d",&nproc);
			break;

								  /* -------------------------------------------------- */
	    case 'x':              	  /* Print extra data (node weight, lseq1, lseq2)       */
								  /* -------------------------------------------------- */
	    	extradata=TRUE;
			break;


									/* -------------------------------------------------- */
		case 'g':   				/* replace n's with a's in sequences                  */
									/* -------------------------------------------------- */
			onlyATGC=FALSE;
			break;


	    case '?':               	/* bad option   	        */
	    	errflag++;
	    	break;
	     }
	}

	ndb = argc - optind;

	if (errflag)
		ExitUsage(errflag);

    fprintf(stderr,"===============================================================\n");
	fprintf(stderr," SUMATRA version %s\n",VERSION);
#ifdef __SSE2__
	fprintf(stderr,"Alignment using SSE2 code\n");
#else
	fprintf(stderr,"Alignment using standard code, SSE2 unavailable\n");
#endif
	fprintf(stderr,"===============================================================\n");


	if (normalize && (threshold > 1.0))
	{
		fprintf(stderr, "\nERROR : Please specify a threshold included between 0.0 and 1.0 when normalizing scores.\n\n");
		exit(1);
	}

	fprintf(stderr,"Reading dataset 1...");
	db1 = seq_readAllSeq2(argv[optind], TRUE, onlyATGC);
	fprintf(stderr,"\n%d sequences\n",db1.count);

	if (!onlyATGC)
		(void)cleanDB(db1);

	addCounts(&db1);

	if (threshold>0)
		(void)hashDB(db1);

	optind++;

	if (ndb == 2)
	{
	    fprintf(stderr,"Reading dataset 2...");
		db2 = seq_readAllSeq2(argv[optind], TRUE, onlyATGC);
		fprintf(stderr,"\n%d sequences\n",db2.count);

		if (!onlyATGC)
			(void)cleanDB(db2);

		addCounts(&db2);

		if (threshold>0)
			(void)hashDB(db2);
	}

	if (!lcsmode && normalize && (threshold > 0))
		threshold = 1.0 - threshold;

	if (ndb==1)
	{
		if (nproc==1)
			compare1(db1, threshold, normalize, reference, lcsmode, extradata);
		else
		    mt_compare_sumatra(&db1, NULL, threshold, normalize, reference, lcsmode, extradata, nproc);
	}
	else
	{
		if (nproc==1)
			compare2(db1, db2, threshold, normalize, reference, lcsmode, extradata);
		else
		    mt_compare_sumatra(&db1, &db2, threshold, normalize, reference, lcsmode, extradata, nproc);
	}

	fprintf(stderr,"\nDone.\n\n");
	return 0;

}