// Release
void FreeNM()
{
if (nm == NULL)
{
// Uninitialized
return;
}
FreeSM();
FreeCM();
ReleaseCedar(nm->Cedar);
FreeWinUi();
Free(nm);
nm = NULL;
}
/* Function: DispatchSqAlignment()
* Date: EPN, Thu Jan 12 14:47:26 2012
*
* Purpose: Given a CM and a sequence, align the sequence(s) using
* the appropriate alignment function and return relevant
* data for eventual output in <ret_data>.
*
* This function can be called from either an alignment
* pipeline (i.e. cmalign) or a search/scan pipeline
* (i.e. cmsearch or cmscan). <idx> is the (overloaded) flag
* for determining which, if -1, we're a search/scan
* pipeline. This is only relevant because in a search/scan
* pipeline we don't care about determining spos/epos so we
* don't call ParsetreeToCMBounds().
*
* If (cm->flags & CM_ALIGN_XTAU) we'll potentially tighten
* HMM bands until the required DP matrices are below out
* limit (<mxsize>). cm->maxtau is the max allowed tau value
* during this iterative band tightening, and cm->xtau is
* the factor by which we multiply cm->tau at each iteration
* during band tightening.
*
* Args: cm - the covariance model
* errbuf - char buffer for reporting errors
* sq - sequence to align
* idx - index of sequence (may be used to reorder data later)
* mxsize - max size in Mb of allowable DP mx
* mode - preset mode of alignment (TRMODE_UNKNOWN if unknown)
* pass_idx - pipeline pass index, determines trunc penalty
* cp9b_valid - TRUE if cm->cp9b are valid, don't compute HMM bands
* w - stopwatch for timing individual stages, can be NULL
* w_tot - stopwatch for timing total time per seq, can be NULL
* r - RNG, req'd if CM_ALIGN_SAMPLE, can be NULL otherwise
* ret_data - RETURN: newly created CM_ALNDATA object
*
* Returns: eslOK on success;
* eslEINCOMPAT on contract violation, errbuf is filled;
* eslEMEM if we run out of memory;
* <ret_data> is alloc'ed and filled.
*/
int
DispatchSqAlignment(CM_t *cm, char *errbuf, ESL_SQ *sq, int64_t idx, float mxsize, char mode, int pass_idx,
int cp9b_valid, ESL_STOPWATCH *w, ESL_STOPWATCH *w_tot, ESL_RANDOMNESS *r, CM_ALNDATA **ret_data)
{
int status; /* easel status */
CM_ALNDATA *data = NULL; /* CM_ALNDATA we'll create and fill */
float sc = 0.; /* score from alignment function */
float pp = 0.; /* average PP from alignment function */
Parsetree_t *tr = NULL; /* ptr to a parsetree */
char *ppstr = NULL; /* ptr to a PP string */
float secs_bands = 0.; /* seconds elapsed for band calculation */
float secs_aln = 0.; /* seconds elapsed for alignment calculation */
float mb_tot = 0.; /* size of all DP matrices used for alignment */
double tau = -1.; /* tau used for calculating bands */
float thresh1 = -1.; /* cp9b->thresh1 used for calculating bands */
float thresh2 = -1.; /* cp9b->thresh2 used for calculating bands */
int spos = -1; /* start posn: first non-gap CM consensus position */
int epos = -1; /* end posn: final non-gap CM consensus position */
double save_tau = cm->tau; /* cm->tau upon entrance, we restore before leaving */
float save_thresh1 = (cm->cp9b == NULL) ? -1. : cm->cp9b->thresh1;
float save_thresh2 = (cm->cp9b == NULL) ? -1. : cm->cp9b->thresh2;
/* alignment options */
int do_nonbanded = (cm->align_opts & CM_ALIGN_NONBANDED) ? TRUE : FALSE;
int do_qdb = (cm->align_opts & CM_ALIGN_QDB) ? TRUE : FALSE;
int do_hbanded = (do_nonbanded || do_qdb) ? FALSE : TRUE;
int do_optacc = (cm->align_opts & CM_ALIGN_OPTACC) ? TRUE : FALSE;
int do_sample = (cm->align_opts & CM_ALIGN_SAMPLE) ? TRUE : FALSE;
int do_post = (cm->align_opts & CM_ALIGN_POST) ? TRUE : FALSE;
int do_sub = (cm->align_opts & CM_ALIGN_SUB) ? TRUE : FALSE;
int do_small = (cm->align_opts & CM_ALIGN_SMALL) ? TRUE : FALSE;
int do_trunc = (cm->align_opts & CM_ALIGN_TRUNC) ? TRUE : FALSE;
int do_xtau = (cm->align_opts & CM_ALIGN_XTAU) ? TRUE : FALSE;
int doing_search = FALSE;
#if eslDEBUGLEVEL >= 1
printf("in DispatchSqAlignment() %s\n", sq->name);
printf("\tdo_nonbanded: %d\n", do_nonbanded);
printf("\tdo_optacc: %d\n", do_optacc);
printf("\tdo_sample: %d\n", do_sample);
printf("\tdo_post: %d\n", do_post);
printf("\tdo_sub: %d\n", do_sub);
printf("\tdo_small: %d\n", do_small);
printf("\tdo_trunc: %d\n", do_trunc);
printf("\tdo_qdb: %d\n", do_qdb);
printf("\tdoing_search: %d\n", doing_search);
#endif
/* sub-mode specific variables (wouldn't be needed if sub mode were not supported) */
CM_t *orig_cm = cm; /* pointer to the original CM */
CM_t *sub_cm = NULL; /* the sub CM */
CMSubMap_t *submap = NULL; /* map from mother CM to sub CM, and vice versa */
Parsetree_t *full_tr = NULL; /* converted parsetree to full CM */
/* contract check */
if(do_small && do_hbanded) ESL_XFAIL(eslEINCOMPAT, errbuf, "DispatchSqAlignment() trying to do small and HMM banded alignment");
if(do_small && do_optacc) ESL_XFAIL(eslEINCOMPAT, errbuf, "DispatchSqAlignment() trying to do small and opt acc alignment");
if(do_post && do_small) ESL_XFAIL(eslEINCOMPAT, errbuf, "DispatchSqAlignment() trying to do PP and small alignment");
if(do_optacc && do_sample) ESL_XFAIL(eslEINCOMPAT, errbuf, "DispatchSqAlignment() trying to sample and do optacc alignment");
if(do_sub && do_small) ESL_XFAIL(eslEINCOMPAT, errbuf, "DispatchSqAlignment() trying to do sub and small alignment");
if(do_sub && do_trunc) ESL_XFAIL(eslEINCOMPAT, errbuf, "DispatchSqAlignment() trying to do sub and truncated alignment");
if(do_sample && r == NULL) ESL_XFAIL(eslEINCOMPAT, errbuf, "DispatchSqAlignment() trying to sample but RNG r == NULL");
if(do_xtau && ! do_hbanded) ESL_XFAIL(eslEINCOMPAT, errbuf, "DispatchSqAlignment() trying to multiply tau without HMM banded alignment");
if(do_xtau && cp9b_valid) ESL_XFAIL(eslEINCOMPAT, errbuf, "DispatchSqAlignment() trying to multiply tau but HMM bands already valid");
if(do_qdb && do_nonbanded) ESL_XFAIL(eslEINCOMPAT, errbuf, "DispatchSqAlignment() trying to do qdb and nonbanded alignment");
if(do_qdb && do_trunc) ESL_XFAIL(eslEINCOMPAT, errbuf, "DispatchSqAlignment() trying to use qdbs and truncated alignment");
/* qdb + trunc combo disallowed only b/c no function exists for it yet */
if(do_qdb && (! do_small)) ESL_XFAIL(eslEINCOMPAT, errbuf, "DispatchSqAlignment() trying to use qdbs but not divide and conquer");
/* qdb + small combo disallowed b/c only non-HMM banded non-small alignment functions are not set up to use QDBs */
if(do_qdb && cm->qdbinfo == NULL) {
ESL_XFAIL(eslEINCOMPAT, errbuf, "DispatchSqAlignment() trying to use qdbs but cm->qdbinfo is NULL");
}
if(do_qdb && (cm->qdbinfo->dmin2 == NULL || cm->qdbinfo->dmax2 == NULL)) {
ESL_XFAIL(eslEINCOMPAT, errbuf, "DispatchSqAlignment() trying to use qdbs but cm->qdbinfo is NULL");
}
if(do_trunc && (! cm_pli_PassAllowsTruncation(pass_idx))) {
ESL_XFAIL(eslEINCOMPAT, errbuf, "DispatchSqAlignment() trying to do truncated alignment, but pass_idx doesn't allow truncation (PLI_PASS_STD_ANY)");
}
if(pass_idx == PLI_PASS_STD_ANY && (mode == TRMODE_L || mode == TRMODE_R || mode == TRMODE_T)) {
ESL_XFAIL(eslEINCOMPAT, errbuf, "DispatchSqAlignment() mode is L, R, or T, but pass_idx is PLI_PASS_STD_ANY");
}
if(w_tot != NULL) esl_stopwatch_Start(w_tot);
/* do sub-mode specific pre-alignment steps, if nec */
if(do_sub) {
if((status = sub_alignment_prep(cm, errbuf, sq, &submap, &sub_cm)) != eslOK) goto ERROR;
cm = sub_cm;
}
if(w != NULL) esl_stopwatch_Start(w);
/* do small D&C alignment, if nec */
if(do_small) {
if(do_trunc) {
sc = TrCYK_DnC(cm, sq->dsq, sq->L, 0, 1, sq->L, pass_idx, FALSE, &tr); /* FALSE: don't reproduce 1.0 behavior */
mb_tot = 4. * CYKNonQDBSmallMbNeeded(cm, sq->L); /* not sure how accurate this is */
}
else {
/* with QDB, always use dmin2/dmax2, the looser of the two sets of QDBs in cm->qdbinfo */
sc = CYKDivideAndConquer(cm, sq->dsq, sq->L, 0, 1, sq->L, &tr,
(do_qdb) ? cm->qdbinfo->dmin2 : NULL,
(do_qdb) ? cm->qdbinfo->dmax2 : NULL);
mb_tot = CYKNonQDBSmallMbNeeded(cm, sq->L);
}
}
else { /* do_small is FALSE */
if(do_nonbanded || do_qdb) { /* do not use HMM bands */
if(do_trunc) {
if((status = cm_TrAlignSizeNeeded(cm, errbuf, sq->L, mxsize, do_sample, do_post,
NULL, NULL, NULL, &mb_tot)) != eslOK) goto ERROR;
if((status = cm_TrAlign(cm, errbuf, sq->dsq, sq->L, mxsize, mode, pass_idx,
do_optacc, do_sample, cm->trnb_mx, cm->trnb_shmx, cm->trnb_omx,
cm->trnb_emx, r, do_post ? &ppstr : NULL, &tr, NULL, &pp, &sc)) != eslOK) goto ERROR;
}
else {
if((status = cm_AlignSizeNeeded(cm, errbuf, sq->L, mxsize, do_sample, do_post,
NULL, NULL, NULL, &mb_tot)) != eslOK) goto ERROR;
if((status = cm_Align(cm, errbuf, sq->dsq, sq->L, mxsize, do_optacc, do_sample, cm->nb_mx, cm->nb_shmx,
cm->nb_omx, cm->nb_emx, r, do_post ? &ppstr : NULL, &tr, &pp, &sc)) != eslOK) goto ERROR;
}
}
else { /* use HMM bands */
if(! cp9b_valid) {
if(do_xtau) { /* multiply tau (if nec) until required mx is below Mb limit (mxsize) */
if((status = cp9_IterateSeq2Bands(cm, errbuf, sq->dsq, 1, sq->L, pass_idx, mxsize, doing_search, do_sample, do_post,
cm->maxtau, NULL)) != eslOK) goto ERROR;
}
else {
if((status = cp9_Seq2Bands(cm, errbuf, cm->cp9_mx, cm->cp9_bmx, cm->cp9_bmx, sq->dsq,
1, sq->L, cm->cp9b, doing_search, pass_idx, 0)) != eslOK) goto ERROR;
}
if(w != NULL) esl_stopwatch_Stop(w);
secs_bands = (w == NULL) ? 0. : w->elapsed;
tau = cm->tau;
thresh1 = cm->cp9b->thresh1;
thresh2 = cm->cp9b->thresh2;
/* note: we don't set these three if cp9b_valid is TRUE */
}
if(w != NULL) esl_stopwatch_Start(w);
if(do_trunc) {
if((status = cm_TrAlignSizeNeededHB(cm, errbuf, sq->L, mxsize, do_sample, do_post,
NULL, NULL, NULL, &mb_tot)) != eslOK) goto ERROR;
if((status = cm_TrAlignHB(cm, errbuf, sq->dsq, sq->L, mxsize, mode, pass_idx,
do_optacc, do_sample, cm->trhb_mx, cm->trhb_shmx, cm->trhb_omx,
cm->trhb_emx, r, do_post ? &ppstr : NULL, &tr, NULL, &pp, &sc)) != eslOK) goto ERROR;
}
else {
if((status = cm_AlignSizeNeededHB(cm, errbuf, sq->L, mxsize, do_sample, do_post,
NULL, NULL, NULL, &mb_tot)) != eslOK) goto ERROR;
if((status = cm_AlignHB(cm, errbuf, sq->dsq, sq->L, mxsize, do_optacc, do_sample, cm->hb_mx, cm->hb_shmx,
cm->hb_omx, cm->hb_emx, r, do_post ? &ppstr : NULL, &tr, &pp, &sc)) != eslOK) goto ERROR;
}
/* add size of CP9 matrices used for calculating bands */
mb_tot += ((float) cm->cp9_mx->ncells_valid * sizeof(int)) / 1000000.;
mb_tot += ((float) cm->cp9_bmx->ncells_valid * sizeof(int)) / 1000000.;
if(do_sub) { /* add size of original CM's CP9 matrices used for calculating start/end position */
mb_tot += ((float) orig_cm->cp9_mx->ncells_valid * sizeof(int)) / 1000000.;
mb_tot += ((float) orig_cm->cp9_bmx->ncells_valid * sizeof(int)) / 1000000.;
}
}
}
if(w != NULL) esl_stopwatch_Stop(w);
secs_aln = (w == NULL) ? 0. : w->elapsed;
if(do_sub) {
/* convert sub cm parsetree to a full CM parsetree */
if((status = sub_cm2cm_parsetree(orig_cm, cm, &full_tr, tr, submap, 0)) != eslOK) ESL_XFAIL(status, errbuf, "out of memory, converting sub parsetree to full parsetree");
/* free sub data structures, we're done with them */
FreeParsetree(tr); tr = full_tr;
FreeCM(cm); cm = orig_cm;
FreeSubMap(submap); submap = NULL;
}
/* determine start and end points of the parsetree,
* but only if we're not in a search/scan pipeline
*/
if(idx != -1) { /* we're not in a search/scan pipeline */
if((status = ParsetreeToCMBounds(cm, tr, TRUE, TRUE, errbuf, NULL, NULL, NULL, NULL, &spos, &epos)) != eslOK) goto ERROR;
}
/* create and fill data */
ESL_ALLOC(data, sizeof(CM_ALNDATA));
data->sq = sq;
data->idx = idx;
data->tr = tr;
data->sc = sc;
data->pp = (do_post) ? pp : 0.;
data->ppstr = (do_post) ? ppstr : NULL;
data->spos = spos;
data->epos = epos;
data->secs_bands = (do_nonbanded) ? 0. : secs_bands;
data->secs_aln = secs_aln;
data->mb_tot = mb_tot;
data->tau = tau;
data->thresh1 = thresh1;
data->thresh2 = thresh2;
if(w_tot != NULL) esl_stopwatch_Stop(w_tot);
data->secs_tot = (w_tot == NULL) ? 0. : w_tot->elapsed;
*ret_data = data;
cm->tau = save_tau;
if(cm->cp9b != NULL) {
cm->cp9b->thresh1 = save_thresh1;
cm->cp9b->thresh2 = save_thresh2;
}
return eslOK;
ERROR:
cm->tau = save_tau;
if(cm->cp9b != NULL) {
cm->cp9b->thresh1 = save_thresh1;
cm->cp9b->thresh2 = save_thresh2;
}
if(data != NULL) cm_alndata_Destroy(data, FALSE);
*ret_data = NULL;
if(status == eslEMEM) ESL_FAIL(status, errbuf, "DispatchSqAlignment(), out of memory");
return status;
}
int
main(int argc, char **argv)
{
char *cmfile;
ESL_ALPHABET *abc;
char *seqfile;
ESL_SQFILE *sqfp;
int format;
CM_FILE *cmfp;
CM_t *cm;
ESL_SQ *seq;
float sc, rev_sc;
Parsetree_t *tr;
Fancyali_t *fali;
Fancyali_t *rev_fali;
int do_local;
/* int status; */
/* char *optname; */
/* char *optarg; */
int optind;
int status;
char errbuf[eslERRBUFSIZE];
cmfile = seqfile = NULL;
abc = NULL;
sqfp = NULL;
cmfp = NULL;
cm = NULL;
seq = NULL;
tr = NULL;
fali = NULL;
rev_fali = NULL;
format = eslSQFILE_UNKNOWN;
do_local = TRUE;
/* Should process options, but for now assume none and set optind */
optind = 1;
if ( argc - optind != 2 ) cm_Die("Incorrect number of arguments\n");
cmfile = argv[optind++];
seqfile = argv[optind++];
if((status = cm_file_Open(cmfile, NULL, FALSE, &cmfp, errbuf)) != eslOK)
cm_Die("Failed to open covariance model save file\n");
if ((status = cm_file_Read(cmfp, TRUE, &abc, &cm)) != eslOK)
cm_Die("Failed to read a CM from cm file\n");
if (cm == NULL)
cm_Die("CM file empty?\n");
cm_file_Close(cmfp);
if ( esl_sqfile_Open(seqfile, format, NULL, &sqfp) != eslOK )
cm_Die("Failed to open sequence database file\n");
if (do_local) cm->config_opts |= CM_CONFIG_LOCAL;
if((status = cm_Configure(cm, errbuf, -1)) != eslOK) cm_Die(errbuf);
/*SetMarginalScores_reproduce_bug_i27(cm);*/
seq = esl_sq_Create();
while ( esl_sqio_Read(sqfp, seq) == eslOK )
{
if (seq->n == 0) continue;
int i0 = 1;
int j0 = seq->n;
if (seq->dsq == NULL)
esl_sq_Digitize(abc, seq);
sc = TrCYK_DnC(cm, seq->dsq, seq->n, 0, i0, j0, PLI_PASS_5P_AND_3P_ANY, TRUE, &tr); /* TRUE: reproduce v1.0 behavior */
/* sc = TrCYK_Inside(cm, seq->dsq, seq->n, 0, i0, j0, PLI_PASS_5P_AND_3P_ANY, TRUE, FALSE, &tr); */
fali = CreateFancyAli(cm->abc, tr, cm, cm->cmcons, seq->dsq, FALSE, NULL);
/* float sc, struct_sc;
* ParsetreeScore(cm, NULL, NULL, tr, seq->dsq, FALSE, &sc, &struct_sc, NULL, NULL, NULL);
* printf("Parsetree score: %.4f\n", sc);
* ParsetreeDump(stdout, tr, cm, seq->dsq);
*/
FreeParsetree(tr);
revcomp(abc, seq, seq);
rev_sc = TrCYK_DnC(cm,seq->dsq, seq->n, 0, i0, j0, PLI_PASS_5P_AND_3P_ANY, TRUE, &tr); /* TRUE: reproduce v1.0 behavior */
rev_fali = CreateFancyAli(cm->abc, tr, cm, cm->cmcons,seq->dsq, FALSE, NULL);
/*ParsetreeDump(stdout, tr, cm, seq->dsq);*/
FreeParsetree(tr);
if (sc > rev_sc)
{
printf("sequence: %s\n", seq->name);
printf("score: %.2f\n",sc);
PrintFancyAli(stdout, fali, 0, FALSE, FALSE, 60);
}
else
{
printf("sequence: %s (reversed)\n", seq->name);
printf("score: %.2f\n",rev_sc);
PrintFancyAli(stdout, fali, seq->n, TRUE, FALSE, 60);
}
FreeFancyAli(fali);
FreeFancyAli(rev_fali);
esl_sq_Destroy(seq);
seq = esl_sq_Create();
}
esl_sq_Destroy(seq);
FreeCM(cm);
esl_sqfile_Close(sqfp);
return EXIT_SUCCESS;
}