/* onefetch():
* Given one <key> (a seq name or accession), retrieve the corresponding sequence.
* In SSI mode, we can do this quickly by positioning the file, then regurgitating
* every line until the end-of-record marker; we don't even have to parse.
* Without an SSI index, we have to parse the file sequentially 'til we find
* the one we're after.
*/
static void
onefetch(ESL_GETOPTS *go, FILE *ofp, char *key, ESL_SQFILE *sqfp)
{
ESL_SQ *sq = esl_sq_Create();
int do_revcomp = esl_opt_GetBoolean(go, "-r");
char *newname = esl_opt_GetString(go, "-n");
int status;
/* Try to position the file at the desired sequence with SSI. */
if (sqfp->data.ascii.ssi != NULL)
{
status = esl_sqfile_PositionByKey(sqfp, key);
if (status == eslENOTFOUND) esl_fatal("seq %s not found in SSI index for file %s\n", key, sqfp->filename);
else if (status == eslEFORMAT) esl_fatal("Failed to parse SSI index for %s\n", sqfp->filename);
else if (status != eslOK) esl_fatal("Failed to look up location of seq %s in SSI index of file %s\n", key, sqfp->filename);
status = esl_sqio_Read(sqfp, sq);
if (status == eslEFORMAT) esl_fatal("Parse failed (sequence file %s):\n%s\n",
sqfp->filename, esl_sqfile_GetErrorBuf(sqfp));
else if (status == eslEOF) esl_fatal("Unexpected EOF reading sequence file %s",
status, sqfp->filename);
else if (status != eslOK) esl_fatal("Unexpected error %d reading sequence file %s",
status, sqfp->filename);
if (strcmp(key, sq->name) != 0 && strcmp(key, sq->acc) != 0)
esl_fatal("whoa, internal error; found the wrong sequence %s, not %s", sq->name, key);
}
else
{ /* Else, we have to read the whole damn file sequentially until we find the seq */
while ((status = esl_sqio_Read(sqfp, sq)) != eslEOF) {
if (status == eslEFORMAT) esl_fatal("Parse failed (sequence file %s):\n%s\n",
sqfp->filename, esl_sqfile_GetErrorBuf(sqfp));
else if (status != eslOK) esl_fatal("Unexpected error %d reading sequence file %s",
status, sqfp->filename);
if (strcmp(key, sq->name) == 0 || strcmp(key, sq->acc) == 0) break;
esl_sq_Reuse(sq);
}
if (status == eslEOF) esl_fatal("Failed to find sequence %s in file %s\n", key, sqfp->filename);
}
if (do_revcomp == FALSE && newname == NULL && ! esl_sqio_IsAlignment(sqfp->format))
{ /* If we're not manipulating the sequence in any way, and it's not from an alignment file, we can Echo() it. */
if (esl_sqio_Echo(sqfp, sq, ofp) != eslOK) esl_fatal("Echo failed: %s\n", esl_sqfile_GetErrorBuf(sqfp));
}
else
{ /* Otherwise we Write() the parsed version. */
if (do_revcomp && esl_sq_ReverseComplement(sq) != eslOK) esl_fatal("Failed to reverse complement %s; is it a protein?\n", sq->name);
if (newname != NULL) esl_sq_SetName(sq, newname);
esl_sqio_Write(ofp, sq, eslSQFILE_FASTA, FALSE);
}
esl_sq_Destroy(sq);
}
static void
onefetch_subseq(ESL_GETOPTS *go, FILE *ofp, ESL_SQFILE *sqfp, char *newname, char *key, uint32_t given_start, uint32_t given_end)
{
int start, end;
int do_revcomp;
ESL_SQ *sq = esl_sq_Create();
if (sqfp->data.ascii.ssi == NULL) esl_fatal("no ssi index");
/* reverse complement indicated by coords. */
/* -c 52: would be 52,0, so watch out for given_end = 0 case */
if (given_end != 0 && given_start > given_end)
{ start = given_end; end = given_start; do_revcomp = TRUE; }
else
{ start = given_start; end = given_end; do_revcomp = FALSE; }
if (esl_sqio_FetchSubseq(sqfp, key, start, end, sq) != eslOK) esl_fatal(esl_sqfile_GetErrorBuf(sqfp));
if (newname != NULL) esl_sq_SetName(sq, newname);
else esl_sq_FormatName(sq, "%s/%d-%d", key, given_start, (given_end == 0) ? sq->L : given_end);
/* Two ways we might have been asked to revcomp: by coord, or by -r option */
/* (If both happen, they'll cancel each other out) */
if (do_revcomp)
if (esl_sq_ReverseComplement(sq) != eslOK) esl_fatal("Failed to reverse complement %s; is it a protein?\n", sq->name);
if (esl_opt_GetBoolean(go, "-r"))
if (esl_sq_ReverseComplement(sq) != eslOK) esl_fatal("Failed to reverse complement %s; is it a protein?\n", sq->name);
esl_sqio_Write(ofp, sq, eslSQFILE_FASTA, FALSE);
esl_sq_Destroy(sq);
}
int
main(int argc, char **argv)
{
ESL_GETOPTS *go = NULL;
char *seqfile = NULL;
ESL_SQFILE *sqfp = NULL;
int infmt = eslSQFILE_UNKNOWN;
int alphatype = eslUNKNOWN;
ESL_ALPHABET *abc = NULL;
ESL_SQ *sq = NULL;
int64_t nseq = 0;
int64_t nres = 0;
int64_t small = 0;
int64_t large = 0;
double *monoc = NULL; /* monoresidue composition per sequence */
double *monoc_all = NULL; /* monoresidue composition over all seqs */
int do_comp = FALSE;
int status = eslOK;
int wstatus;
int i;
int do_stall; /* used to stall when debugging */
/* Parse command line */
go = esl_getopts_Create(options);
if (esl_opt_ProcessCmdline(go, argc, argv) != eslOK) cmdline_failure(argv[0], "Failed to parse command line: %s\n", go->errbuf);
if (esl_opt_VerifyConfig(go) != eslOK) cmdline_failure(argv[0], "Error in app configuration: %s\n", go->errbuf);
if (esl_opt_GetBoolean(go, "-h") ) cmdline_help(argv[0], go);
if (esl_opt_ArgNumber(go) != 1) cmdline_failure(argv[0], "Incorrect number of command line arguments.\n");
seqfile = esl_opt_GetArg(go, 1);
do_comp = esl_opt_GetBoolean(go, "-c");
if (esl_opt_GetString(go, "--informat") != NULL) {
infmt = esl_sqio_EncodeFormat(esl_opt_GetString(go, "--informat"));
if (infmt == eslSQFILE_UNKNOWN) esl_fatal("%s is not a valid input sequence file format for --informat");
}
do_stall = esl_opt_GetBoolean(go, "--stall"); /* a stall point for attaching gdb */
while (do_stall);
/* open input file */
status = esl_sqfile_Open(seqfile, infmt, NULL, &sqfp);
if (status == eslENOTFOUND) esl_fatal("No such file %s", seqfile);
else if (status == eslEFORMAT) esl_fatal("Format of seqfile %s unrecognized.", seqfile);
else if (status != eslOK) esl_fatal("Open failed, code %d.", status);
if (esl_opt_GetBoolean(go, "--rna")) alphatype = eslRNA;
else if (esl_opt_GetBoolean(go, "--dna")) alphatype = eslDNA;
else if (esl_opt_GetBoolean(go, "--amino")) alphatype = eslAMINO;
else {
status = esl_sqfile_GuessAlphabet(sqfp, &alphatype);
if (status == eslEAMBIGUOUS) esl_fatal("Couldn't guess alphabet from first sequence in %s", seqfile);
else if (status == eslEFORMAT) esl_fatal("Parse failed (sequence file %s):\n%s\n",
sqfp->filename, esl_sqfile_GetErrorBuf(sqfp));
else if (status == eslENODATA) esl_fatal("Sequence file %s contains no data?", seqfile);
else if (status != eslOK) esl_fatal("Failed to guess alphabet (error code %d)\n", status);
}
abc = esl_alphabet_Create(alphatype);
sq = esl_sq_CreateDigital(abc);
esl_sqfile_SetDigital(sqfp, abc);
if (do_comp) {
ESL_ALLOC(monoc, (abc->Kp) * sizeof(double));
ESL_ALLOC(monoc_all, (abc->Kp) * sizeof(double));
esl_vec_DSet(monoc_all, abc->Kp, 0.0);
esl_vec_DSet(monoc, abc->Kp, 0.0);
}
while ((wstatus = esl_sqio_ReadWindow(sqfp, 0, 4096, sq)) != eslEOF)
{
if (wstatus == eslOK)
{
if (do_comp)
for (i = 1; i <= sq->n; i++)
monoc[sq->dsq[i]]++;
}
else if (wstatus == eslEOD)
{
if (nseq == 0) { small = large = sq->L; }
else {
small = ESL_MIN(small, sq->L);
large = ESL_MAX(large, sq->L);
}
if (esl_opt_GetBoolean(go, "-a")) {
printf("= %-20s %8" PRId64 " %s\n", sq->name, sq->L, (sq->desc != NULL) ? sq->desc : "");
}
nres += sq->L;
nseq++;
esl_sq_Reuse(sq);
if (do_comp) {
esl_vec_DAdd(monoc_all, monoc, abc->Kp);
esl_vec_DSet(monoc, abc->Kp, 0.0);
}
}
else if (wstatus == eslEFORMAT) esl_fatal("Parse failed (sequence file %s):\n%s\n",
sqfp->filename, esl_sqfile_GetErrorBuf(sqfp));
else esl_fatal("Unexpected error %d reading sequence file %s",
wstatus, sqfp->filename);
}
printf("Format: %s\n", esl_sqio_DecodeFormat(sqfp->format));
printf("Alphabet type: %s\n", esl_abc_DecodeType(abc->type));
printf("Number of sequences: %" PRId64 "\n", nseq);
printf("Total # residues: %" PRId64 "\n", nres);
printf("Smallest: %" PRId64 "\n", small);
printf("Largest: %" PRId64 "\n", large);
printf("Average length: %.1f\n", (float) nres / (float) nseq);
if (do_comp) {
show_overall_composition(abc, monoc_all, nres);
free(monoc);
free(monoc_all);
}
esl_alphabet_Destroy(abc);
esl_sq_Destroy(sq);
esl_sqfile_Close(sqfp);
esl_getopts_Destroy(go);
return 0;
ERROR:
return status;
}
static int
do_by_windows(ESL_GENCODE *gcode, ESL_GENCODE_WORKSTATE *wrk, ESL_SQFILE *sqfp)
{
ESL_SQ *sq = esl_sq_CreateDigital(gcode->nt_abc);
int windowsize = 4092; // can be any value, but a multiple of 3 makes most sense. windowsize can be +/-; + means reading top strand; - means bottom strand.
int contextsize = 2; // contextsize (adjacent window overlap) must be 2, or translation won't work properly.
int wstatus;
ESL_DASSERT1(( windowsize % 3 == 0 ));
while (( wstatus = esl_sqio_ReadWindow(sqfp, contextsize, windowsize, sq)) != eslEOF)
{
if (wstatus == eslEOD)
{
if ( (windowsize > 0 && wrk->do_watson) || (windowsize < 0 && wrk->do_crick))
esl_gencode_ProcessEnd(wrk, sq);
if (windowsize > 0 && ! wrk->do_crick) { esl_sq_Reuse(sq); continue; } // Don't switch to revcomp if we don't need do. Allows -W --watson to work on nonrewindable streams
if (windowsize < 0) esl_sq_Reuse(sq); // Do not Reuse the sq on the switch from watson to crick; ReadWindow needs sq->L
windowsize = -windowsize; // switch to other strand.
continue;
}
else if (wstatus == eslEFORMAT) esl_fatal("Parsing failed in sequence file %s:\n%s", sqfp->filename, esl_sqfile_GetErrorBuf(sqfp));
else if (wstatus == eslEINVAL) esl_fatal("Invalid residue(s) found in sequence file %s\n%s", sqfp->filename, esl_sqfile_GetErrorBuf(sqfp));
else if (wstatus != eslOK) esl_fatal("Unexpected error %d reading sequence file %s", wstatus, sqfp->filename);
/* If we're the first window in this input DNA sequence
* (or the first window in its revcomp), then initialize.
* sq->C is the actual context overlap; 0=1st window; 2 (i.e. C)= subsequent.
*/
if (sq->C == 0)
{
if (sq->n < 3) continue; // DNA sequence too short; skip it, don't even bother to revcomp, go to next sequence.
if ( (windowsize > 0 && wrk->do_watson) || (windowsize < 0 && wrk->do_crick))
esl_gencode_ProcessStart(gcode, wrk, sq);
}
if ( (windowsize > 0 && wrk->do_watson) || (windowsize < 0 && wrk->do_crick))
esl_gencode_ProcessPiece(gcode, wrk, sq);
}
esl_sq_Destroy(sq);
return eslOK;
}
int
main(int argc, char **argv)
{
ESL_GETOPTS *go = NULL; /* application configuration */
char *seqfile = NULL; /* sequence file name */
char *maskfile = NULL; /* mask coordinate file name */
int infmt = eslSQFILE_UNKNOWN; /* format code for seqfile */
int outfmt = eslSQFILE_FASTA; /* format code for output seqs */
ESL_SQFILE *sqfp = NULL; /* open sequence file */
ESL_FILEPARSER *maskefp = NULL; /* open mask coord file */
FILE *ofp = NULL; /* output stream for masked seqs */
char *source = NULL; /* name of current seq to mask */
char *p1, *p2; /* pointers used in parsing */
int64_t start, end; /* start, end coord for masking */
int64_t i, j, pos; /* coords in a sequence */
int64_t overmask; /* # of extra residues to mask */
ESL_SQ *sq = esl_sq_Create(); /* current sequence */
int do_fetching;
int do_lowercase;
int maskchar;
int status; /* easel return code */
/****************************************************************************
* Parse command line
****************************************************************************/
go = esl_getopts_Create(options);
if (esl_opt_ProcessCmdline(go, argc, argv) != eslOK) cmdline_failure(argv[0], "Failed to parse command line: %s\n", go->errbuf);
if (esl_opt_VerifyConfig(go) != eslOK) cmdline_failure(argv[0], "Error in configuration: %s\n", go->errbuf);
if (esl_opt_GetBoolean(go, "-h") ) cmdline_help (argv[0], go);
if (esl_opt_ArgNumber(go) != 2) cmdline_failure(argv[0], "Incorrect number of command line arguments.\n");
do_fetching = esl_opt_GetBoolean(go, "-R");
do_lowercase = esl_opt_GetBoolean(go, "-l");
overmask = (esl_opt_IsOn(go, "-x") ? esl_opt_GetInteger(go, "-x") : 0);
maskchar = (esl_opt_IsOn(go, "-m") ? esl_opt_GetChar(go, "-m") : 'X');
seqfile = esl_opt_GetArg(go, 1);
maskfile = esl_opt_GetArg(go, 2);
/* Open the <seqfile>: text mode, not digital */
if (esl_opt_GetString(go, "--informat") != NULL) {
infmt = esl_sqio_EncodeFormat(esl_opt_GetString(go, "--informat"));
if (infmt == eslSQFILE_UNKNOWN) cmdline_failure(argv[0], "%s is not a valid input sequence file format for --informat");
}
status = esl_sqfile_Open(seqfile, infmt, NULL, &sqfp);
if (status == eslENOTFOUND) cmdline_failure(argv[0], "Sequence file %s not found.\n", seqfile);
else if (status == eslEFORMAT) cmdline_failure(argv[0], "Format of file %s unrecognized.\n", seqfile);
else if (status == eslEINVAL) cmdline_failure(argv[0], "Can't autodetect stdin or .gz.\n");
else if (status != eslOK) cmdline_failure(argv[0], "Open failed, code %d.\n", status);
if(do_fetching)
{
status = esl_sqfile_OpenSSI(sqfp, NULL);
if (status == eslEFORMAT) cmdline_failure(argv[0], "SSI index is in incorrect format\n");
else if (status == eslERANGE) cmdline_failure(argv[0], "SSI index is in 64-bit format and we can't read it\n");
else if (status != eslOK) cmdline_failure(argv[0], "Failed to open SSI index\n");
}
/* Open the <maskfile> */
if (esl_fileparser_Open(maskfile, NULL, &maskefp) != eslOK)
cmdline_failure(argv[0], "Failed to open mask coordinate file %s\n", maskfile);
esl_fileparser_SetCommentChar(maskefp, '#');
/* Open the output file, if any */
if (esl_opt_GetString(go, "-o") != NULL)
{
if ((ofp = fopen(esl_opt_GetString(go, "-o"), "w")) == NULL)
cmdline_failure(argv[0], "Failed to open output file %s\n", esl_opt_GetString(go, "-o"));
}
else ofp = stdout;
/****************************************************************************
* Main loop over lines in <maskfile>
****************************************************************************/
/* Read one data line at a time from the <maskfile>;
* parse into data fields <seqname> <start> <end>
*/
while (esl_fileparser_NextLine(maskefp) == eslOK)
{
/* First field is sequence name */
if (esl_fileparser_GetTokenOnLine(maskefp, &source, NULL) != eslOK)
esl_fatal("Failed to read source seq name on line %d of file %s\n", maskefp->linenumber, maskfile);
/* Get the sequence */
if (do_fetching)
{ /* If the <seqfile> is SSI indexed, try to reposition it and read <source> seq by random access */
status = esl_sqio_Fetch(sqfp, source, sq);
if (status == eslENOTFOUND) esl_fatal("seq %s not found in SSI index for file %s\n", source, sqfp->filename);
else if (status == eslEINVAL) esl_fatal("No SSI index or can't reposition in file %s\n", sqfp->filename);
else if (status == eslEFORMAT) esl_fatal("Parse failed:\n%s\n", esl_sqfile_GetErrorBuf(sqfp));
else if (status != eslOK) esl_fatal("Unexpected failure in fetching %s from file %s\n", source, sqfp->filename);
}
else
{ /* else, assume we're reading sequentially; <sqfile> and <maskfile> have seqs in same order */
status = esl_sqio_Read(sqfp, sq);
if (status == eslEOF) esl_fatal("File %s ended prematurely; didn't find %s\n", sqfp->filename, source);
else if (status == eslEFORMAT) esl_fatal("Parse failed:\n%s\n", esl_sqfile_GetErrorBuf(sqfp));
else if (status != eslOK) esl_fatal("Unexpected error reading sequence file %s\n", sqfp->filename);
if ((strcmp(sq->name, source) != 0) && (strcmp(sq->acc, source) != 0))
esl_fatal("Sequences in <sqfile> and <maskfile> aren't in same order; try -R");
}
/* If we're masking by lowercase, first make sure everything's uppercase */
if (do_lowercase)
for (pos = 0; pos < sq->n; pos++)
if (isalpha(sq->seq[pos]))
sq->seq[pos] = toupper(sq->seq[pos]);
/* Next two fields are <start>, <end> for the masking */
/* possible future extension: wrap loop around this, enable multiple masked regions */
if (esl_fileparser_GetTokenOnLine(maskefp, &p1, NULL) != eslOK)
esl_fatal("Failed to read start coord on line %d of file %s\n", maskefp->linenumber, maskfile);
start = strtoll(p1, &p2, 0) - 1;
if (esl_fileparser_GetTokenOnLine(maskefp, &p2, NULL) != eslOK)
esl_fatal("Failed to read end coord on line %d of file %s\n", maskefp->linenumber, maskfile);
end = strtoll(p2, &p1, 0) - 1;
/* Do the masking */
if (esl_opt_GetBoolean(go, "-r")) /* Reverse masking */
{ /* leave start..end unmasked; mask prefix 0..start-1, end+1..L-1 */
i = 0;
j = ESL_MIN(sq->n-1, start - 1 + overmask);
for (pos = i; pos <= j; pos++)
if (isalpha(sq->seq[pos]))
sq->seq[pos] = (do_lowercase ? tolower(sq->seq[pos]) : maskchar);
i = ESL_MAX(0, end + 1 - overmask);
j = sq->n-1;
for (pos = i; pos <= j; pos++)
if (isalpha(sq->seq[pos]))
sq->seq[pos] = (do_lowercase ? tolower(sq->seq[pos]) : maskchar);
}
else
{ /* normal: mask start..end */
i = ESL_MAX(0, start - overmask);
j = ESL_MIN(sq->n-1, end + overmask);
for (pos = i; pos <= j; pos++)
if (isalpha(sq->seq[pos]))
sq->seq[pos] = (do_lowercase ? tolower(sq->seq[pos]) : maskchar);
}
esl_sqio_Write(ofp, sq, outfmt, FALSE);
esl_sq_Reuse(sq);
}
esl_sq_Destroy(sq);
esl_fileparser_Close(maskefp);
esl_sqfile_Close(sqfp);
esl_getopts_Destroy(go);
if (ofp != stdout) fclose(ofp);
return 0;
}
/* serial_master()
* The serial version of hmmsearch.
* For each query HMM in <hmmdb> search the database for hits.
*
* A master can only return if it's successful. All errors are handled
* immediately and fatally with p7_Fail().
*/
static int
serial_master(ESL_GETOPTS *go, struct cfg_s *cfg)
{
FILE *ofp = stdout; /* output file for results (default stdout) */
FILE *tblfp = NULL; /* output stream for tabular per-seq (--tblout) */
FILE *dfamtblfp = NULL; /* output stream for tabular Dfam format (--dfamtblout) */
FILE *aliscoresfp = NULL; /* output stream for alignment scores (--aliscoresout) */
// P7_HMM *hmm = NULL; /* one HMM query */
// P7_SCOREDATA *scoredata = NULL;
int seqfmt = eslSQFILE_UNKNOWN; /* format of seqfile */
ESL_SQFILE *sqfp = NULL; /* open seqfile */
P7_HMMFILE *hfp = NULL; /* open HMM database file */
ESL_ALPHABET *abc = NULL; /* sequence alphabet */
P7_OPROFILE *om = NULL; /* target profile */
ESL_STOPWATCH *w = NULL; /* timing */
ESL_SQ *qsq = NULL; /* query sequence */
int nquery = 0;
int textw;
int status = eslOK;
int hstatus = eslOK;
int sstatus = eslOK;
int i;
int ncpus = 0;
int infocnt = 0;
WORKER_INFO *info = NULL;
#ifdef HMMER_THREADS
P7_OM_BLOCK *block = NULL;
ESL_THREADS *threadObj= NULL;
ESL_WORK_QUEUE *queue = NULL;
#endif
char errbuf[eslERRBUFSIZE];
double window_beta = -1.0 ;
int window_length = -1;
if (esl_opt_IsUsed(go, "--w_beta")) { if ( ( window_beta = esl_opt_GetReal(go, "--w_beta") ) < 0 || window_beta > 1 ) esl_fatal("Invalid window-length beta value\n"); }
if (esl_opt_IsUsed(go, "--w_length")) { if (( window_length = esl_opt_GetInteger(go, "--w_length")) < 4 ) esl_fatal("Invalid window length value\n"); }
w = esl_stopwatch_Create();
if (esl_opt_GetBoolean(go, "--notextw")) textw = 0;
else textw = esl_opt_GetInteger(go, "--textw");
/* If caller declared an input format, decode it */
if (esl_opt_IsOn(go, "--qformat")) {
seqfmt = esl_sqio_EncodeFormat(esl_opt_GetString(go, "--qformat"));
if (seqfmt == eslSQFILE_UNKNOWN) p7_Fail("%s is not a recognized input sequence file format\n", esl_opt_GetString(go, "--qformat"));
}
/* validate options if running as a daemon */
// if (esl_opt_IsOn(go, "--daemon")) {
/* running as a daemon, the input format must be type daemon */
// if (seqfmt != eslSQFILE_UNKNOWN && seqfmt != eslSQFILE_DAEMON)
// esl_fatal("Input format %s not supported. Must be daemon\n", esl_opt_GetString(go, "--qformat"));
// seqfmt = eslSQFILE_DAEMON;
// if (strcmp(cfg->seqfile, "-") != 0) esl_fatal("Query sequence file must be '-'\n");
// }
/* Open the target profile database to get the sequence alphabet */
status = p7_hmmfile_OpenE(cfg->hmmfile, p7_HMMDBENV, &hfp, errbuf);
if (status == eslENOTFOUND) p7_Fail("File existence/permissions problem in trying to open HMM file %s.\n%s\n", cfg->hmmfile, errbuf);
else if (status == eslEFORMAT) p7_Fail("File format problem, trying to open HMM file %s.\n%s\n", cfg->hmmfile, errbuf);
else if (status != eslOK) p7_Fail("Unexpected error %d in opening HMM file %s.\n%s\n", status, cfg->hmmfile, errbuf);
if (! hfp->is_pressed) p7_Fail("Failed to open binary auxfiles for %s: use hmmpress first\n", hfp->fname);
hstatus = p7_oprofile_ReadMSV(hfp, &abc, &om);
if (hstatus == eslEFORMAT) p7_Fail("bad format, binary auxfiles, %s:\n%s", cfg->hmmfile, hfp->errbuf);
else if (hstatus == eslEINCOMPAT) p7_Fail("HMM file %s contains different alphabets", cfg->hmmfile);
else if (hstatus != eslOK) p7_Fail("Unexpected error in reading HMMs from %s", cfg->hmmfile);
p7_oprofile_Destroy(om);
p7_hmmfile_Close(hfp);
/* Open the query sequence database */
status = esl_sqfile_OpenDigital(abc, cfg->seqfile, seqfmt, NULL, &sqfp);
if (status == eslENOTFOUND) p7_Fail("Failed to open sequence file %s for reading\n", cfg->seqfile);
else if (status == eslEFORMAT) p7_Fail("Sequence file %s is empty or misformatted\n", cfg->seqfile);
else if (status == eslEINVAL) p7_Fail("Can't autodetect format of a stdin or .gz seqfile");
else if (status != eslOK) p7_Fail("Unexpected error %d opening sequence file %s\n", status, cfg->seqfile);
if (sqfp->format > 100) // breaking the law! That range is reserved for msa, for aligned formats
p7_Fail("%s contains a multiple sequence alignment; expect unaligned sequences, like FASTA\n", cfg->seqfile);
qsq = esl_sq_CreateDigital(abc);
/* Open the results output files */
if (esl_opt_IsOn(go, "-o")) { if ((ofp = fopen(esl_opt_GetString(go, "-o"), "w")) == NULL) esl_fatal("Failed to open output file %s for writing\n", esl_opt_GetString(go, "-o")); }
if (esl_opt_IsOn(go, "--tblout")) { if ((tblfp = fopen(esl_opt_GetString(go, "--tblout"), "w")) == NULL) esl_fatal("Failed to open tabular per-seq output file %s for writing\n", esl_opt_GetString(go, "--tblfp")); }
if (esl_opt_IsOn(go, "--dfamtblout")) { if ((dfamtblfp = fopen(esl_opt_GetString(go, "--dfamtblout"),"w")) == NULL) esl_fatal("Failed to open tabular dfam output file %s for writing\n", esl_opt_GetString(go, "--dfamtblout")); }
if (esl_opt_IsOn(go, "--aliscoresout")) { if ((aliscoresfp = fopen(esl_opt_GetString(go, "--aliscoresout"),"w")) == NULL) esl_fatal("Failed to open alignment scores output file %s for writing\n", esl_opt_GetString(go, "--aliscoresout")); }
output_header(ofp, go, cfg->hmmfile, cfg->seqfile);
#ifdef HMMER_THREADS
/* initialize thread data */
if (esl_opt_IsOn(go, "--cpu")) ncpus = esl_opt_GetInteger(go, "--cpu");
else esl_threads_CPUCount(&ncpus);
if (ncpus > 0)
{
threadObj = esl_threads_Create(&pipeline_thread);
queue = esl_workqueue_Create(ncpus * 2);
}
#endif
infocnt = (ncpus == 0) ? 1 : ncpus;
ESL_ALLOC(info, sizeof(*info) * infocnt);
for (i = 0; i < infocnt; ++i)
{
info[i].bg = p7_bg_Create(abc);
#ifdef HMMER_THREADS
info[i].queue = queue;
#endif
}
#ifdef HMMER_THREADS
for (i = 0; i < ncpus * 2; ++i)
{
block = p7_oprofile_CreateBlock(BLOCK_SIZE);
if (block == NULL) esl_fatal("Failed to allocate sequence block");
status = esl_workqueue_Init(queue, block);
if (status != eslOK) esl_fatal("Failed to add block to work queue");
}
#endif
/* Outside loop: over each query sequence in <seqfile>. */
while ((sstatus = esl_sqio_Read(sqfp, qsq)) == eslOK)
{
if (sstatus == eslEMEM) p7_Fail("Memory allocation error reading sequence file\n", status);
if (sstatus == eslEINCONCEIVABLE) p7_Fail("Unexpected error %d reading sequence file\n", status);
// if (qsq->L > NHMMER_MAX_RESIDUE_COUNT) p7_Fail("Input sequence %s in file %s exceeds maximum length of %d bases.\n", qsq->name, cfg->seqfile, NHMMER_MAX_RESIDUE_COUNT);
nquery++;
esl_stopwatch_Start(w);
/* Open the target profile database */
status = p7_hmmfile_OpenE(cfg->hmmfile, p7_HMMDBENV, &hfp, NULL);
if (status != eslOK) p7_Fail("Unexpected error %d in opening hmm file %s.\n", status, cfg->hmmfile);
#ifdef HMMER_THREADS
/* if we are threaded, create a lock to prevent multiple readers */
if (ncpus > 0)
{
status = p7_hmmfile_CreateLock(hfp);
if (status != eslOK) p7_Fail("Unexpected error %d creating lock\n", status);
}
#endif
if (fprintf(ofp, "Query: %s [L=%ld]\n", qsq->name, (long) qsq->n) < 0) ESL_EXCEPTION_SYS(eslEWRITE, "write failed");
if (qsq->acc[0] != 0 && fprintf(ofp, "Accession: %s\n", qsq->acc) < 0) ESL_EXCEPTION_SYS(eslEWRITE, "write failed");
if (qsq->desc[0] != 0 && fprintf(ofp, "Description: %s\n", qsq->desc) < 0) ESL_EXCEPTION_SYS(eslEWRITE, "write failed");
for (i = 0; i < infocnt; ++i)
{
/* Create processing pipeline and hit list */
info[i].th = p7_tophits_Create();
info[i].pli = p7_pipeline_Create(go, 100, 100, TRUE, p7_SCAN_MODELS); /* M_hint = 100, L_hint = 100 are just dummies for now */
info[i].pli->hfp = hfp; /* for two-stage input, pipeline needs <hfp> */
p7_pli_NewSeq(info[i].pli, qsq);
info[i].qsq = qsq;
if ( esl_opt_IsUsed(go, "--toponly") )
info[i].pli->strand = p7_STRAND_TOPONLY;
else if ( esl_opt_IsUsed(go, "--bottomonly") )
info[i].pli->strand = p7_STRAND_BOTTOMONLY;
else
info[i].pli->strand = p7_STRAND_BOTH;
#ifdef HMMER_THREADS
if (ncpus > 0) esl_threads_AddThread(threadObj, &info[i]);
#endif
}
#ifdef HMMER_THREADS
if (ncpus > 0) hstatus = thread_loop(threadObj, queue, hfp);
else hstatus = serial_loop(info, hfp);
#else
hstatus = serial_loop(info, hfp);
#endif
switch(hstatus)
{
case eslEFORMAT: p7_Fail("bad file format in HMM file %s", cfg->hmmfile); break;
case eslEINCOMPAT: p7_Fail("HMM file %s contains different alphabets", cfg->hmmfile); break;
case eslEOF:
case eslOK: /* do nothing */
break;
default: p7_Fail("Unexpected error in reading HMMs from %s", cfg->hmmfile);
}
/* merge the results of the search results */
for (i = 1; i < infocnt; ++i)
{
p7_tophits_Merge(info[0].th, info[i].th);
p7_pipeline_Merge(info[0].pli, info[i].pli);
p7_pipeline_Destroy(info[i].pli);
p7_tophits_Destroy(info[i].th);
}
/* modify e-value to account for number of models */
for (i = 0; i < info->th->N ; i++)
{
info->th->unsrt[i].lnP += log((float)info->pli->nmodels);
info->th->unsrt[i].dcl[0].lnP = info->th->unsrt[i].lnP;
info->th->unsrt[i].sortkey = -1.0 * info->th->unsrt[i].lnP;
}
/* it's possible to have duplicates based on how viterbi ranges can overlap */
p7_tophits_SortByModelnameAndAlipos(info->th);
p7_tophits_RemoveDuplicates(info->th, info->pli->use_bit_cutoffs);
/* Print results */
p7_tophits_SortBySortkey(info->th);
p7_tophits_Threshold(info->th, info->pli);
//tally up total number of hits and target coverage
info->pli->n_output = info->pli->pos_output = 0;
for (i = 0; i < info->th->N; i++) {
if ( (info->th->hit[i]->flags & p7_IS_REPORTED) || info->th->hit[i]->flags & p7_IS_INCLUDED) {
info->pli->n_output++;
info->pli->pos_output += abs(info->th->hit[i]->dcl[0].jali - info->th->hit[i]->dcl[0].iali) + 1;
}
}
p7_tophits_Targets(ofp, info->th, info->pli, textw); if (fprintf(ofp, "\n\n") < 0) ESL_EXCEPTION_SYS(eslEWRITE, "write failed");
p7_tophits_Domains(ofp, info->th, info->pli, textw); if (fprintf(ofp, "\n\n") < 0) ESL_EXCEPTION_SYS(eslEWRITE, "write failed");
if (tblfp) p7_tophits_TabularTargets(tblfp, qsq->name, qsq->acc, info->th, info->pli, (nquery == 1));
if (dfamtblfp) p7_tophits_TabularXfam(dfamtblfp, qsq->name, NULL, info->th, info->pli);
if (aliscoresfp) p7_tophits_AliScores(aliscoresfp, qsq->name, info->th );
esl_stopwatch_Stop(w);
info->pli->nseqs = 1;
p7_pli_Statistics(ofp, info->pli, w);
if (fprintf(ofp, "//\n") < 0) ESL_EXCEPTION_SYS(eslEWRITE, "write failed");
fflush(ofp);
p7_hmmfile_Close(hfp);
p7_pipeline_Destroy(info->pli);
p7_tophits_Destroy(info->th);
esl_sq_Reuse(qsq);
}
if (sstatus == eslEFORMAT) esl_fatal("Parse failed (sequence file %s):\n%s\n",
sqfp->filename, esl_sqfile_GetErrorBuf(sqfp));
else if (sstatus != eslEOF) esl_fatal("Unexpected error %d reading sequence file %s",
sstatus, sqfp->filename);
/* Terminate outputs - any last words?
*/
if (tblfp) p7_tophits_TabularTail(tblfp, "hmmscan", p7_SCAN_MODELS, cfg->seqfile, cfg->hmmfile, go);
if (ofp) { if (fprintf(ofp, "[ok]\n") < 0) ESL_EXCEPTION_SYS(eslEWRITE, "write failed"); }
/* Cleanup - prepare for successful exit
*/
for (i = 0; i < infocnt; ++i)
p7_bg_Destroy(info[i].bg);
#ifdef HMMER_THREADS
if (ncpus > 0)
{
esl_workqueue_Reset(queue);
while (esl_workqueue_Remove(queue, (void **) &block) == eslOK)
p7_oprofile_DestroyBlock(block);
esl_workqueue_Destroy(queue);
esl_threads_Destroy(threadObj);
}
#endif
free(info);
esl_sq_Destroy(qsq);
esl_stopwatch_Destroy(w);
esl_alphabet_Destroy(abc);
esl_sqfile_Close(sqfp);
if (ofp != stdout) fclose(ofp);
if (tblfp) fclose(tblfp);
if (dfamtblfp) fclose(dfamtblfp);
if (aliscoresfp) fclose(aliscoresfp);
return eslOK;
ERROR:
if (ofp != stdout) fclose(ofp);
if (tblfp) fclose(tblfp);
if (dfamtblfp) fclose(dfamtblfp);
if (aliscoresfp) fclose(aliscoresfp);
return status;
}
/* seq_shuffling()
* SRE, Tue Jan 22 08:35:51 2008 [Market Street Cafe, Leesburg]
*
* Shuffling of input sequences.
*
* Fixed-length (L>0) vs. full-length (L=0) modes handled differently.
* In fixed-length mode:
* <shuff->seq> only needs to be allocated once, for L
* <targ> is an allocated copy of a random subseq of length L
* sequences < L residues long can't be shuffled
* In full-length mode:
* <shuff->seq> is grown to length <sq->n> for each input seq
* <targ> just points to <sq->seq>
*/
static int
seq_shuffling(ESL_GETOPTS *go, ESL_RANDOMNESS *r, FILE *ofp, int outfmt)
{
char *seqfile = esl_opt_GetArg(go, 1);
int infmt = eslSQFILE_UNKNOWN;
ESL_SQFILE *sqfp = NULL;
ESL_SQ *sq = esl_sq_Create();
ESL_SQ *shuff = esl_sq_Create();
char *targ = NULL;
int N = esl_opt_GetInteger(go, "-N");
int L = esl_opt_GetInteger(go, "-L"); /* L>0 means select random fixed-len subseqs */
int kmers = 0;
int i;
int status;
if (esl_opt_GetString(go, "--informat") != NULL) {
infmt = esl_sqio_EncodeFormat(esl_opt_GetString(go, "--informat"));
if (infmt == eslSQFILE_UNKNOWN) esl_fatal("%s is not a valid input sequence file format for --informat");
}
if (esl_opt_IsOn(go, "-k")) kmers = esl_opt_GetInteger(go, "-k");
status = esl_sqfile_Open(seqfile, infmt, NULL, &sqfp);
if (status == eslENOTFOUND) esl_fatal("No such file %s", seqfile);
else if (status == eslEFORMAT) esl_fatal("Format of seqfile %s unrecognized.", seqfile);
else if (status == eslEINVAL) esl_fatal("Can't autodetect stdin or .gz.");
else if (status != eslOK) esl_fatal("Open failed, code %d.", status);
if (L>0) {
esl_sq_GrowTo(shuff, L);
shuff->n = L;
ESL_ALLOC(targ, sizeof(char) * (L+1));
}
while ((status = esl_sqio_Read(sqfp, sq)) == eslOK)
{
if (L == 0) { /* shuffling entire sequence */
esl_sq_GrowTo(shuff, sq->n); /* make sure shuff can hold sq */
shuff->n = sq->n;
targ = sq->seq;
} else {
if (sq->n < L) continue; /* reject seqs < L long */
}
for (i = 0; i < N; i++)
{
if (L > 0) { /* fixed-len mode: copy a random subseq */
int pos = esl_rnd_Roll(r, sq->n - L + 1);
strncpy(targ, sq->seq + pos, L);
targ[L] = '\0';
}
/* Do the requested kind of shuffling */
if (esl_opt_GetBoolean(go, "-m")) esl_rsq_CShuffle (r, targ, shuff->seq); /* monoresidue shuffling */
else if (esl_opt_GetBoolean(go, "-d")) esl_rsq_CShuffleDP (r, targ, shuff->seq); /* diresidue shuffling */
else if (esl_opt_IsOn (go, "-k")) esl_rsq_CShuffleKmers(r, targ, kmers, shuff->seq); /* diresidue shuffling */
else if (esl_opt_GetBoolean(go, "-0")) esl_rsq_CMarkov0 (r, targ, shuff->seq); /* 0th order Markov */
else if (esl_opt_GetBoolean(go, "-1")) esl_rsq_CMarkov1 (r, targ, shuff->seq); /* 1st order Markov */
else if (esl_opt_GetBoolean(go, "-r")) esl_rsq_CReverse ( targ, shuff->seq); /* reverse */
else if (esl_opt_IsOn (go, "-w")) { /* regionally shuffle */
int W= esl_opt_GetInteger(go, "-w"); esl_rsq_CShuffleWindows(r, targ, W, shuff->seq);
}
/* Set the name of the shuffled sequence */
if (N > 1) esl_sq_FormatName(shuff, "%s-shuffled-%d", sq->name, i);
else esl_sq_FormatName(shuff, "%s-shuffled", sq->name);
/* Output the resulting sequence */
esl_sqio_Write(ofp, shuff, outfmt, FALSE);
/* don't need to reuse the shuffled sequence: we will use exactly the same memory */
}
esl_sq_Reuse(sq);
}
if (status == eslEFORMAT) esl_fatal("Parse failed (sequence file %s):\n%s\n",
sqfp->filename, esl_sqfile_GetErrorBuf(sqfp));
else if (status != eslEOF) esl_fatal("Unexpected error %d reading sequence file %s",
status, sqfp->filename);
if (L>0) free(targ);
esl_sq_Destroy(shuff);
esl_sq_Destroy(sq);
esl_sqfile_Close(sqfp);
return eslOK;
ERROR:
if (targ != NULL) free(targ);
esl_sq_Destroy(shuff);
esl_sq_Destroy(sq);
esl_sqfile_Close(sqfp);
return status;
}
/* serial_master()
* The serial version of hmmsearch.
* For each query HMM in <hmmfile> search the database for hits.
*
* A master can only return if it's successful. All errors are handled
* immediately and fatally with p7_Fail(). We also use the
* ESL_EXCEPTION and ERROR: mechanisms, but only because we know we're
* using a fatal exception handler.
*/
static int
serial_master(ESL_GETOPTS *go, struct cfg_s *cfg)
{
FILE *ofp = stdout; /* results output file (-o) */
P7_HMMFILE *hfp = NULL; /* open input HMM file */
ESL_SQFILE *dbfp = NULL; /* open input sequence file */
P7_HMM *hmm = NULL; /* one HMM query */
ESL_ALPHABET *abc = NULL; /* digital alphabet */
int dbfmt = eslSQFILE_UNKNOWN; /* format code for sequence database file */
ESL_STOPWATCH *w;
int textw = 0;
int nquery = 0;
int status = eslOK;
int hstatus = eslOK;
int sstatus = eslOK;
int i;
int ncpus = 0;
int infocnt = 0;
WORKER_INFO *info = NULL;
char errbuf[eslERRBUFSIZE];
w = esl_stopwatch_Create();
if (esl_opt_GetBoolean(go, "--notextw")) textw = 0;
else textw = esl_opt_GetInteger(go, "--textw");
if (esl_opt_IsOn(go, "--tformat")) {
dbfmt = esl_sqio_EncodeFormat(esl_opt_GetString(go, "--tformat"));
if (dbfmt == eslSQFILE_UNKNOWN) p7_Fail("%s is not a recognized sequence database file format\n", esl_opt_GetString(go, "--tformat"));
}
/* Open the target sequence database */
status = esl_sqfile_Open(cfg->dbfile, dbfmt, p7_SEQDBENV, &dbfp);
if (status == eslENOTFOUND) p7_Fail("Failed to open sequence file %s for reading\n", cfg->dbfile);
else if (status == eslEFORMAT) p7_Fail("Sequence file %s is empty or misformatted\n", cfg->dbfile);
else if (status == eslEINVAL) p7_Fail("Can't autodetect format of a stdin or .gz seqfile");
else if (status != eslOK) p7_Fail("Unexpected error %d opening sequence file %s\n", status, cfg->dbfile);
if (esl_opt_IsUsed(go, "--restrictdb_stkey") || esl_opt_IsUsed(go, "--restrictdb_n")) {
if (esl_opt_IsUsed(go, "--ssifile"))
esl_sqfile_OpenSSI(dbfp, esl_opt_GetString(go, "--ssifile"));
else
esl_sqfile_OpenSSI(dbfp, NULL);
}
/* Open the query profile HMM file */
status = p7_hmmfile_OpenE(cfg->hmmfile, NULL, &hfp, errbuf);
if (status == eslENOTFOUND) p7_Fail("File existence/permissions problem in trying to open HMM file %s.\n%s\n", cfg->hmmfile, errbuf);
else if (status == eslEFORMAT) p7_Fail("File format problem in trying to open HMM file %s.\n%s\n", cfg->hmmfile, errbuf);
else if (status != eslOK) p7_Fail("Unexpected error %d in opening HMM file %s.\n%s\n", status, cfg->hmmfile, errbuf);
/* Open the results output files */
if (esl_opt_IsOn(go, "-o")) { if ((ofp = fopen(esl_opt_GetString(go, "-o"), "w+")) == NULL) p7_Fail("Failed to open output file %s for writing\n", esl_opt_GetString(go, "-o")); }
infocnt = 1;
ESL_ALLOC(info, sizeof(*info) * infocnt);
/* <abc> is not known 'til first HMM is read. */
hstatus = p7_hmmfile_Read(hfp, &abc, &hmm);
if (hstatus == eslOK)
{
/* One-time initializations after alphabet <abc> becomes known */
// output_header(ofp, go, cfg->hmmfile, cfg->dbfile);
// dbfp->abc = abc; //ReadBlock requires knowledge of the alphabet to decide how best to read blocks
// for (i = 0; i < infocnt; ++i)
// {
// info[i].bg = p7_bg_Create(abc);
// }
}
/* Outer loop: over each query HMM in <hmmfile>. */
// while (hstatus == eslOK)
// {
P7_PROFILE *gm = NULL;
P7_OPROFILE *om = NULL; /* optimized query profile */
nquery++;
esl_stopwatch_Start(w);
/* seqfile may need to be rewound (multiquery mode) */
if (nquery > 1)
{
if (! esl_sqfile_IsRewindable(dbfp))
esl_fatal("Target sequence file %s isn't rewindable; can't search it with multiple queries", cfg->dbfile);
if (! esl_opt_IsUsed(go, "--restrictdb_stkey") )
esl_sqfile_Position(dbfp, 0); //only re-set current position to 0 if we're not planning to set it in a moment
}
if ( cfg->firstseq_key != NULL ) { //it's tempting to want to do this once and capture the offset position for future passes, but ncbi files make this non-trivial, so this keeps it general
sstatus = esl_sqfile_PositionByKey(dbfp, cfg->firstseq_key);
if (sstatus != eslOK)
p7_Fail("Failure setting restrictdb_stkey to %d\n", cfg->firstseq_key);
}
// if (fprintf(ofp, "Query: %s [M=%d]\n", hmm->name, hmm->M) < 0) ESL_EXCEPTION_SYS(eslEWRITE, "write failed");
// if (hmm->acc) { if (fprintf(ofp, "Accession: %s\n", hmm->acc) < 0) ESL_EXCEPTION_SYS(eslEWRITE, "write failed"); }
// if (hmm->desc) { if (fprintf(ofp, "Description: %s\n", hmm->desc) < 0) ESL_EXCEPTION_SYS(eslEWRITE, "write failed"); }
/* Convert to an optimized model */
gm = p7_profile_Create (hmm->M, abc);
om = p7_oprofile_Create(hmm->M, abc);
// p7_ProfileConfig(hmm, info->bg, gm, 100, p7_LOCAL); /* 100 is a dummy length for now; and MSVFilter requires local mode */
p7_oprofile_Convert(gm, om); /* <om> is now p7_LOCAL, multihit */
for (i = 0; i < infocnt; ++i)
{
/* Create processing pipeline and hit list */
info[i].th = p7_tophits_Create();
info[i].om = p7_oprofile_Clone(om);
info[i].pli = p7_pipeline_Create(go, om->M, 100, FALSE, p7_SEARCH_SEQS); /* L_hint = 100 is just a dummy for now */
P7_PIPELINE *pli = info[i].pli;
pli->nmodels++;
pli->nnodes += info[i].om->M;
// if (pli->Z_setby == p7_ZSETBY_NTARGETS && pli->mode == p7_SCAN_MODELS) pli->Z = pli->nmodels;
// if (pli->do_biasfilter) p7_bg_SetFilter(info[i].bg, info[i].om->M, info[i].om->compo);
// if (pli->mode == p7_SEARCH_SEQS)
// status = p7_pli_NewModelThresholds(pli, info[i].om);
pli->W = info[i].om->max_length;
}
sstatus = serial_loop(info, dbfp, cfg->n_targetseq, ofp);
switch(sstatus)
{
case eslEFORMAT:
esl_fatal("Parse failed (sequence file %s):\n%s\n",
dbfp->filename, esl_sqfile_GetErrorBuf(dbfp));
break;
case eslEOF:
/* do nothing */
break;
default:
esl_fatal("Unexpected error %d reading sequence file %s", sstatus, dbfp->filename);
}
/* merge the results of the search results */
for (i = 1; i < infocnt; ++i)
{
p7_tophits_Merge(info[0].th, info[i].th);
p7_pipeline_Merge(info[0].pli, info[i].pli);
p7_pipeline_Destroy(info[i].pli);
p7_tophits_Destroy(info[i].th);
p7_oprofile_Destroy(info[i].om);
}
/* Print the results. */
p7_tophits_SortBySortkey(info->th);
p7_tophits_Threshold(info->th, info->pli);
// p7_tophits_Targets(ofp, info->th, info->pli, textw); if (fprintf(ofp, "\n\n") < 0) ESL_EXCEPTION_SYS(eslEWRITE, "write failed");
// p7_tophits_Domains(ofp, info->th, info->pli, textw); if (fprintf(ofp, "\n\n") < 0) ESL_EXCEPTION_SYS(eslEWRITE, "write failed");
esl_stopwatch_Stop(w);
// p7_pli_Statistics(ofp, info->pli, w);
// if (fprintf(ofp, "//\n") < 0) ESL_EXCEPTION_SYS(eslEWRITE, "write failed");
p7_pipeline_Destroy(info->pli);
p7_tophits_Destroy(info->th);
p7_oprofile_Destroy(info->om);
p7_oprofile_Destroy(om);
p7_profile_Destroy(gm);
p7_hmm_Destroy(hmm);
// hstatus = p7_hmmfile_Read(hfp, &abc, &hmm);
// } /* end outer loop over query HMMs */
switch(hstatus) {
case eslEOD: p7_Fail("read failed, HMM file %s may be truncated?", cfg->hmmfile); break;
case eslEFORMAT: p7_Fail("bad file format in HMM file %s", cfg->hmmfile); break;
case eslEINCOMPAT: p7_Fail("HMM file %s contains different alphabets", cfg->hmmfile); break;
case eslEOF:
case eslOK: /* do nothing. EOF is what we want. */ break;
default: p7_Fail("Unexpected error (%d) in reading HMMs from %s", hstatus, cfg->hmmfile);
}
/* Terminate outputs... any last words?
*/
/* Cleanup - prepare for exit
*/
// for (i = 0; i < infocnt; ++i)
// p7_bg_Destroy(info[i].bg);
free(info);
p7_hmmfile_Close(hfp);
esl_sqfile_Close(dbfp);
esl_alphabet_Destroy(abc);
esl_stopwatch_Destroy(w);
if (ofp != stdout) fclose(ofp);
printf("44HHHH \n");
return eslOK;
ERROR:
return eslFAIL;
}
int
main(int argc, char **argv)
{
ESL_GETOPTS *go = NULL; /* application configuration */
char *hmmfile = NULL; /* HMM file name */
char *seqfile = NULL; /* sequence file name */
char *mapfile = NULL; /* optional mapped MSA file name */
int infmt = eslSQFILE_UNKNOWN;
int outfmt = eslMSAFILE_STOCKHOLM;
P7_HMMFILE *hfp = NULL; /* open HMM file */
ESL_SQFILE *sqfp = NULL; /* open sequence file */
char *outfile = NULL; /* output filename */
FILE *ofp = stdout; /* output stream */
ESL_SQ **sq = NULL; /* array of sequences */
void *p = NULL; /* tmp ptr for reallocation */
int nseq = 0; /* # of sequences in <seqfile> */
int mapseq = 0; /* # of sequences in mapped MSA */
int totseq = 0; /* # of seqs in all sources */
ESL_ALPHABET *abc = NULL; /* alphabet (set from the HMM file)*/
P7_HMM *hmm = NULL;
P7_TRACE **tr = NULL; /* array of tracebacks */
ESL_MSA *msa = NULL; /* resulting multiple alignment */
int msaopts = 0; /* flags to p7_tracealign_Seqs() */
int idx; /* counter over seqs, traces */
int status; /* easel/hmmer return code */
char errbuf[eslERRBUFSIZE];
/* Parse the command line
*/
go = esl_getopts_Create(options);
if (esl_opt_ProcessCmdline(go, argc, argv) != eslOK) cmdline_failure(argv[0], "Failed to parse command line: %s\n", go->errbuf);
if (esl_opt_VerifyConfig(go) != eslOK) cmdline_failure(argv[0], "Error in configuration: %s\n", go->errbuf);
if (esl_opt_GetBoolean(go, "-h") ) cmdline_help (argv[0], go);
if (esl_opt_ArgNumber(go) != 2) cmdline_failure(argv[0], "Incorrect number of command line arguments.\n");
hmmfile = esl_opt_GetArg(go, 1);
seqfile = esl_opt_GetArg(go, 2);
if (strcmp(hmmfile, "-") == 0 && strcmp(seqfile, "-") == 0)
cmdline_failure(argv[0], "Either <hmmfile> or <seqfile> may be '-' (to read from stdin), but not both.\n");
msaopts |= p7_ALL_CONSENSUS_COLS; /* default as of 3.1 */
if (esl_opt_GetBoolean(go, "--trim")) msaopts |= p7_TRIM;
/* If caller declared an input format, decode it
*/
if (esl_opt_IsOn(go, "--informat")) {
infmt = esl_sqio_EncodeFormat(esl_opt_GetString(go, "--informat"));
if (infmt == eslSQFILE_UNKNOWN) cmdline_failure(argv[0], "%s is not a recognized input sequence file format\n", esl_opt_GetString(go, "--informat"));
}
/* Determine output alignment file format */
outfmt = eslx_msafile_EncodeFormat(esl_opt_GetString(go, "--outformat"));
if (outfmt == eslMSAFILE_UNKNOWN) cmdline_failure(argv[0], "%s is not a recognized output MSA file format\n", esl_opt_GetString(go, "--outformat"));
/* Open output stream */
if ( (outfile = esl_opt_GetString(go, "-o")) != NULL)
{
if ((ofp = fopen(outfile, "w")) == NULL)
cmdline_failure(argv[0], "failed to open -o output file %s for writing\n", outfile);
}
/* If caller forced an alphabet on us, create the one the caller wants
*/
if (esl_opt_GetBoolean(go, "--amino")) abc = esl_alphabet_Create(eslAMINO);
else if (esl_opt_GetBoolean(go, "--dna")) abc = esl_alphabet_Create(eslDNA);
else if (esl_opt_GetBoolean(go, "--rna")) abc = esl_alphabet_Create(eslRNA);
/* Read one HMM, and make sure there's only one.
*/
status = p7_hmmfile_OpenE(hmmfile, NULL, &hfp, errbuf);
if (status == eslENOTFOUND) p7_Fail("File existence/permissions problem in trying to open HMM file %s.\n%s\n", hmmfile, errbuf);
else if (status == eslEFORMAT) p7_Fail("File format problem in trying to open HMM file %s.\n%s\n", hmmfile, errbuf);
else if (status != eslOK) p7_Fail("Unexpected error %d in opening HMM file %s.\n%s\n", status, hmmfile, errbuf);
status = p7_hmmfile_Read(hfp, &abc, &hmm);
if (status == eslEFORMAT) p7_Fail("Bad file format in HMM file %s:\n%s\n", hfp->fname, hfp->errbuf);
else if (status == eslEINCOMPAT) p7_Fail("HMM in %s is not in the expected %s alphabet\n", hfp->fname, esl_abc_DecodeType(abc->type));
else if (status == eslEOF) p7_Fail("Empty HMM file %s? No HMM data found.\n", hfp->fname);
else if (status != eslOK) p7_Fail("Unexpected error in reading HMMs from %s\n", hfp->fname);
status = p7_hmmfile_Read(hfp, &abc, NULL);
if (status != eslEOF) p7_Fail("HMM file %s does not contain just one HMM\n", hfp->fname);
p7_hmmfile_Close(hfp);
/* We're going to build up two arrays: sequences and traces.
* If --mapali option is chosen, the first set of sequences/traces is from the provided alignment
*/
if ( (mapfile = esl_opt_GetString(go, "--mapali")) != NULL)
{
map_alignment(mapfile, hmm, &sq, &tr, &mapseq);
}
totseq = mapseq;
/* Read digital sequences into an array (possibly concat'ed onto mapped seqs)
*/
status = esl_sqfile_OpenDigital(abc, seqfile, infmt, NULL, &sqfp);
if (status == eslENOTFOUND) p7_Fail("Failed to open sequence file %s for reading\n", seqfile);
else if (status == eslEFORMAT) p7_Fail("Sequence file %s is empty or misformatted\n", seqfile);
else if (status != eslOK) p7_Fail("Unexpected error %d opening sequence file %s\n", status, seqfile);
ESL_RALLOC(sq, p, sizeof(ESL_SQ *) * (totseq + 1));
sq[totseq] = esl_sq_CreateDigital(abc);
nseq = 0;
while ((status = esl_sqio_Read(sqfp, sq[totseq+nseq])) == eslOK)
{
nseq++;
ESL_RALLOC(sq, p, sizeof(ESL_SQ *) * (totseq+nseq+1));
sq[totseq+nseq] = esl_sq_CreateDigital(abc);
}
if (status == eslEFORMAT) esl_fatal("Parse failed (sequence file %s):\n%s\n",
sqfp->filename, esl_sqfile_GetErrorBuf(sqfp));
else if (status != eslEOF) esl_fatal("Unexpected error %d reading sequence file %s", status, sqfp->filename);
esl_sqfile_Close(sqfp);
totseq += nseq;
/* Remaining initializations, including trace array allocation
*/
ESL_RALLOC(tr, p, sizeof(P7_TRACE *) * totseq);
for (idx = mapseq; idx < totseq; idx++)
tr[idx] = p7_trace_CreateWithPP();
p7_tracealign_computeTraces(hmm, sq, mapseq, totseq - mapseq, tr);
p7_tracealign_Seqs(sq, tr, totseq, hmm->M, msaopts, hmm, &msa);
eslx_msafile_Write(ofp, msa, outfmt);
for (idx = 0; idx <= totseq; idx++) esl_sq_Destroy(sq[idx]); /* including sq[nseq] because we overallocated */
for (idx = 0; idx < totseq; idx++) p7_trace_Destroy(tr[idx]);
free(sq);
free(tr);
esl_msa_Destroy(msa);
p7_hmm_Destroy(hmm);
if (ofp != stdout) fclose(ofp);
esl_alphabet_Destroy(abc);
esl_getopts_Destroy(go);
return eslOK;
ERROR:
return status;
}
int
main(int argc, char **argv)
{
ESL_GETOPTS *go = esl_getopts_CreateDefaultApp(options, 2, argc, argv, banner, usage);
char *hmmfile = esl_opt_GetArg(go, 1);
char *seqfile = esl_opt_GetArg(go, 2);
float nu = esl_opt_GetReal(go, "--nu");
ESL_ALPHABET *abc = NULL;
P7_HMMFILE *hfp = NULL;
P7_HMM *hmm = NULL;
P7_BG *bg = NULL;
P7_PROFILE *gm = NULL;
P7_GMX *fwd = NULL;
ESL_SQ *sq = NULL;
ESL_SQFILE *sqfp = NULL;
P7_TRACE *tr = NULL;
int format = eslSQFILE_UNKNOWN;
float sc, nullsc, seqscore, P;
int status;
/* Read in one HMM */
if (p7_hmmfile_Open(hmmfile, NULL, &hfp) != eslOK) p7_Fail("Failed to open HMM file %s", hmmfile);
if (p7_hmmfile_Read(hfp, &abc, &hmm) != eslOK) p7_Fail("Failed to read HMM");
p7_hmmfile_Close(hfp);
/* Open sequence file */
sq = esl_sq_CreateDigital(abc);
status = esl_sqfile_Open(seqfile, format, NULL, &sqfp);
if (status == eslENOTFOUND) p7_Fail("No such file.");
else if (status == eslEFORMAT) p7_Fail("Format unrecognized.");
else if (status == eslEINVAL) p7_Fail("Can't autodetect stdin or .gz.");
else if (status != eslOK) p7_Fail("Open failed, code %d.", status);
/* Configure a profile from the HMM */
bg = p7_bg_Create(abc);
gm = p7_profile_Create(hmm->M, abc);
p7_ProfileConfig(hmm, bg, gm, sq->n, p7_LOCAL);
/* Allocate matrix */
fwd = p7_gmx_Create(gm->M, sq->n);
while ((status = esl_sqio_Read(sqfp, sq)) == eslOK)
{
p7_ReconfigLength(gm, sq->n);
p7_bg_SetLength(bg, sq->n);
p7_gmx_GrowTo(fwd, gm->M, sq->n);
/* Run MSV */
p7_GMSV(sq->dsq, sq->n, gm, fwd, nu, &sc);
/* Calculate bit score and P-value using standard null1 model*/
p7_bg_NullOne (bg, sq->dsq, sq->n, &nullsc);
seqscore = (sc - nullsc) / eslCONST_LOG2;
P = esl_gumbel_surv(seqscore, gm->evparam[p7_MMU], gm->evparam[p7_MLAMBDA]);
/* output suitable for direct use in profmark benchmark postprocessors:
* <Pvalue> <bitscore> <target name> <query name>
*/
printf("%g\t%.2f\t%s\t%s\n", P, seqscore, sq->name, hmm->name);
esl_sq_Reuse(sq);
}
if (status == eslEFORMAT) esl_fatal("Parse failed (sequence file %s):\n%s\n", sqfp->filename, esl_sqfile_GetErrorBuf(sqfp));
else if (status != eslEOF) esl_fatal("Unexpected error %d reading sequence file %s", status, sqfp->filename);
/* Cleanup */
esl_sqfile_Close(sqfp);
esl_sq_Destroy(sq);
p7_trace_Destroy(tr);
p7_gmx_Destroy(fwd);
p7_profile_Destroy(gm);
p7_bg_Destroy(bg);
p7_hmm_Destroy(hmm);
esl_alphabet_Destroy(abc);
esl_getopts_Destroy(go);
return 0;
}
/* multifetch:
* given a file containing lines with one name or key per line;
* parse the file line-by-line;
* if we have an SSI index available, retrieve the seqs by key
* as we see each line;
* else, without an SSI index, store the keys in a hash, then
* read the entire seq file in a single pass, outputting seqs
* that are in our keylist.
*
* Note that with an SSI index, you get the seqs in the order they
* appear in the <keyfile>, but without an SSI index, you get seqs in
* the order they occur in the seq file.
*/
static void
multifetch(ESL_GETOPTS *go, FILE *ofp, char *keyfile, ESL_SQFILE *sqfp)
{
ESL_KEYHASH *keys = esl_keyhash_Create();
ESL_FILEPARSER *efp = NULL;
int nseq = 0;
int nkeys = 0;
char *key;
int keylen;
int keyidx;
int status;
if (esl_fileparser_Open(keyfile, NULL, &efp) != eslOK) esl_fatal("Failed to open key file %s\n", keyfile);
esl_fileparser_SetCommentChar(efp, '#');
while (esl_fileparser_NextLine(efp) == eslOK)
{
if (esl_fileparser_GetTokenOnLine(efp, &key, &keylen) != eslOK)
esl_fatal("Failed to read seq name on line %d of file %s\n", efp->linenumber, keyfile);
status = esl_keyhash_Store(keys, key, keylen, &keyidx);
if (status == eslEDUP) esl_fatal("seq key %s occurs more than once in file %s\n", key, keyfile);
/* if we have an SSI index, just fetch them as we go. */
if (sqfp->data.ascii.ssi != NULL) { onefetch(go, ofp, key, sqfp); nseq++; }
nkeys++;
}
/* If we don't have an SSI index, we haven't fetched anything yet; do it now. */
if (sqfp->data.ascii.ssi == NULL)
{
ESL_SQ *sq = esl_sq_Create();
while ((status = esl_sqio_Read(sqfp, sq)) == eslOK)
{
if ( (sq->name[0] != '\0' && esl_keyhash_Lookup(keys, sq->name, -1, NULL) == eslOK) ||
(sq->acc[0] != '\0' && esl_keyhash_Lookup(keys, sq->acc, -1, NULL) == eslOK))
{
if (esl_opt_GetBoolean(go, "-r") )
if (esl_sq_ReverseComplement(sq) != eslOK)
esl_fatal("Failed to reverse complement %s\n", sq->name);
esl_sqio_Write(ofp, sq, eslSQFILE_FASTA, FALSE);
nseq++;
}
esl_sq_Reuse(sq);
}
if (status == eslEFORMAT) esl_fatal("Parse failed (sequence file %s):\n%s\n",
sqfp->filename, esl_sqfile_GetErrorBuf(sqfp));
else if (status != eslEOF) esl_fatal("Unexpected error %d reading sequence file %s",
status, sqfp->filename);
esl_sq_Destroy(sq);
}
if (nkeys != nseq) esl_fatal("Tried to retrieve %d keys, but only retrieved %d sequences\n", nkeys, nseq);
if (ofp != stdout) printf("\nRetrieved %d sequences.\n", nseq);
esl_keyhash_Destroy(keys);
esl_fileparser_Close(efp);
return;
}
/* Create an SSI index file for open sequence file <sqfp>.
* Both name and accession of sequences are stored as keys.
*/
static void
create_ssi_index(ESL_GETOPTS *go, ESL_SQFILE *sqfp)
{
ESL_NEWSSI *ns = NULL;
ESL_SQ *sq = esl_sq_Create();
int nseq = 0;
char *ssifile = NULL;
uint16_t fh;
int status;
esl_strdup(sqfp->filename, -1, &ssifile);
esl_strcat(&ssifile, -1, ".ssi", 4);
status = esl_newssi_Open(ssifile, TRUE, &ns); /* TRUE is for allowing overwrite. */
if (status == eslENOTFOUND) esl_fatal("failed to open SSI index %s", ssifile);
else if (status == eslEOVERWRITE) esl_fatal("SSI index %s already exists; delete or rename it", ssifile); /* won't happen, see TRUE above... */
else if (status != eslOK) esl_fatal("failed to create a new SSI index");
if (esl_newssi_AddFile(ns, sqfp->filename, sqfp->format, &fh) != eslOK)
esl_fatal("Failed to add sequence file %s to new SSI index\n", sqfp->filename);
printf("Creating SSI index for %s... ", sqfp->filename);
fflush(stdout);
while ((status = esl_sqio_ReadInfo(sqfp, sq)) == eslOK)
{
nseq++;
if (sq->name == NULL) esl_fatal("Every sequence must have a name to be indexed. Failed to find name of seq #%d\n", nseq);
if (esl_newssi_AddKey(ns, sq->name, fh, sq->roff, sq->doff, sq->L) != eslOK)
esl_fatal("Failed to add key %s to SSI index", sq->name);
if (sq->acc[0] != '\0') {
if (esl_newssi_AddAlias(ns, sq->acc, sq->name) != eslOK)
esl_fatal("Failed to add secondary key %s to SSI index", sq->acc);
}
esl_sq_Reuse(sq);
}
if (status == eslEFORMAT) esl_fatal("Parse failed (sequence file %s):\n%s\n",
sqfp->filename, esl_sqfile_GetErrorBuf(sqfp));
else if (status != eslEOF) esl_fatal("Unexpected error %d reading sequence file %s",
status, sqfp->filename);
/* Determine if the file was suitable for fast subseq lookup. */
if (sqfp->data.ascii.bpl > 0 && sqfp->data.ascii.rpl > 0) {
if ((status = esl_newssi_SetSubseq(ns, fh, sqfp->data.ascii.bpl, sqfp->data.ascii.rpl)) != eslOK)
esl_fatal("Failed to set %s for fast subseq lookup.");
}
/* Save the SSI file to disk */
if (esl_newssi_Write(ns) != eslOK) esl_fatal("Failed to write keys to ssi file %s\n", ssifile);
/* Done - output and exit. */
printf("done.\n");
if (ns->nsecondary > 0)
printf("Indexed %d sequences (%ld names and %ld accessions).\n", nseq, (long) ns->nprimary, (long) ns->nsecondary);
else
printf("Indexed %d sequences (%ld names).\n", nseq, (long) ns->nprimary);
printf("SSI index written to file %s\n", ssifile);
free(ssifile);
esl_sq_Destroy(sq);
esl_newssi_Close(ns);
return;
}
