/* Function: esl_msafile_a2m_Read()
* Synopsis: Read a UCSC A2M format alignment.
*
* Purpose: Read an MSA from an open <ESL_MSAFILE> <afp>, parsing
* for UCSC A2M (SAM) format. Create a new MSA,
* and return a ptr to it in <*ret_msa>. Caller is responsible
* for freeing this <ESL_MSA>.
*
* The <msa> has a reference line (<msa->rf[]>) that
* corresponds to the uppercase/lowercase columns in the
* alignment: consensus (uppercase) columns are marked 'X',
* and insert (lowercase) columns are marked '.' in the RF
* annotation line.
*
* This input parser can deal both with "dotless" A2M, and
* full A2M format with dots.
*
* Args: afp - open <ESL_MSAFILE>
* ret_msa - RETURN: newly parsed <ESL_MSA>
*
* Returns: <eslOK> on success. <*ret_msa> is set to the newly
* allocated MSA, and <afp> is at EOF.
*
* <eslEOF> if no (more) alignment data are found in
* <afp>, and <afp> is returned at EOF.
*
* <eslEFORMAT> on a parse error. <*ret_msa> is set to
* <NULL>. <afp> contains information sufficient for
* constructing useful diagnostic output:
* | <afp->errmsg> | user-directed error message |
* | <afp->linenumber> | line # where error was detected |
* | <afp->line> | offending line (not NUL-term) |
* | <afp->n> | length of offending line |
* | <afp->bf->filename> | name of the file |
* and <afp> is poised at the start of the following line,
* so (in principle) the caller could try to resume
* parsing.
*
* Throws: <eslEMEM> - an allocation failed.
* <eslESYS> - a system call such as fread() failed
* <eslEINCONCEIVABLE> - "impossible" corruption
* On these, <*ret_msa> is returned <NULL>, and the state of
* <afp> is undefined.
*/
int
esl_msafile_a2m_Read(ESL_MSAFILE *afp, ESL_MSA **ret_msa)
{
ESL_MSA *msa = NULL;
char **csflag = NULL; /* csflag[i][pos] is TRUE if aseq[i][pos] was uppercase consensus */
int *nins = NULL; /* # of inserted residues before each consensus col [0..ncons-1] */
int *this_nins = NULL; /* # of inserted residues before each consensus residue in this seq */
int nseq = 0;
int ncons = 0;
int idx;
int64_t thislen;
int64_t spos;
int this_ncons;
int cpos, bpos;
char *p, *tok;
esl_pos_t n, toklen;
int status;
ESL_DASSERT1( (afp->format == eslMSAFILE_A2M) );
afp->errmsg[0] = '\0';
#ifdef eslAUGMENT_ALPHABET
if (afp->abc && (msa = esl_msa_CreateDigital(afp->abc, 16, -1)) == NULL) { status = eslEMEM; goto ERROR; }
#endif
if (! afp->abc && (msa = esl_msa_Create( 16, -1)) == NULL) { status = eslEMEM; goto ERROR; }
ESL_ALLOC(csflag, sizeof(char *) * msa->sqalloc);
for (idx = 0; idx < msa->sqalloc; idx++) csflag[idx] = NULL;
/* skip leading blank lines in file */
while ( (status = esl_msafile_GetLine(afp, &p, &n)) == eslOK && esl_memspn(afp->line, afp->n, " \t") == afp->n) ;
if (status != eslOK) goto ERROR; /* includes normal EOF */
/* tolerate sloppy space at start of name/desc line */
while (n && isspace(*p)) { p++; n--; }
if (*p != '>') ESL_XFAIL(eslEFORMAT, afp->errmsg, "expected A2M name/desc line starting with >");
do { /* for each record starting in '>': */
p++; n--; /* advance past > */
if ( (status = esl_memtok(&p, &n, " \t", &tok, &toklen)) != eslOK) ESL_XFAIL(eslEFORMAT, afp->errmsg, "no name found for A2M record");
if (nseq >= msa->sqalloc) {
int old_sqalloc = msa->sqalloc;
if ( (status = esl_msa_Expand(msa)) != eslOK) goto ERROR;
ESL_REALLOC(csflag, sizeof(char *) * msa->sqalloc);
for (idx = old_sqalloc; idx < msa->sqalloc; idx++) csflag[idx] = NULL;
}
if ( (status = esl_msa_SetSeqName (msa, nseq, tok, toklen)) != eslOK) goto ERROR;
if (n && (status = esl_msa_SetSeqDescription(msa, nseq, p, n)) != eslOK) goto ERROR;
/* now for each sequence line... */
thislen = 0; /* count of lowercase, uppercase, and '-': w/o dots, on first pass */
this_ncons = 0; /* count of uppercase + '-': number of consensus columns in alignment: must match for all seqs */
if (nseq) {
for (cpos = 0; cpos <= ncons; cpos++) // A little tricksy. <this_nins> is allocated on first seq, when nseq=0.
this_nins[cpos] = 0; // cppcheck gets confused and erroneously calls "possible null pointer deference"; ignore it.
}
while ( (status = esl_msafile_GetLine(afp, &p, &n)) == eslOK)
{
while (n && isspace(*p)) { p++; n--; } /* tolerate and skip leading whitespace on line */
if (n == 0) continue; /* tolerate and skip blank lines */
if (*p == '>') break;
ESL_REALLOC(csflag[nseq], sizeof(char) * (thislen + n + 1)); /* might be an overalloc by a bit, depending on whitespace on line */
if (nseq == 0) {
ESL_REALLOC(this_nins, sizeof(int) * (this_ncons + n + 1));
for (cpos = this_ncons; cpos <= this_ncons+n; cpos++)
this_nins[cpos] = 0;
}
for (spos = thislen, bpos = 0; bpos < n; bpos++)
{
if (p[bpos] == 'O') continue;
else if (isupper(p[bpos])) { csflag[nseq][spos++] = TRUE; this_ncons++; }
else if (islower(p[bpos])) { csflag[nseq][spos++] = FALSE; this_nins[this_ncons]++; }
else if (p[bpos] == '-') { csflag[nseq][spos++] = TRUE; this_ncons++; }
if (ncons && this_ncons > ncons) ESL_XFAIL(eslEFORMAT, afp->errmsg, "unexpected # of consensus residues, didn't match previous seq(s)");
}
csflag[nseq][spos] = TRUE; /* need a sentinel, because of the way the padding functions work */
#ifdef eslAUGMENT_ALPHABET
if (msa->abc) { status = esl_abc_dsqcat(afp->inmap, &(msa->ax[nseq]), &thislen, p, n); }
#endif
if (! msa->abc) { status = esl_strmapcat (afp->inmap, &(msa->aseq[nseq]), &thislen, p, n); }
if (status == eslEINVAL) ESL_XFAIL(eslEFORMAT, afp->errmsg, "one or more invalid sequence characters");
else if (status != eslOK) goto ERROR;
ESL_DASSERT1( (spos == thislen) );
}
if (status != eslOK && status != eslEOF) goto ERROR; /* exception thrown by esl_msafile_GetLine() */
/* status == OK: then *p == '>'. status == eslEOF: we're eof. status == anything else: error */
/* Finished reading a sequence record. */
if (nseq == 0)
{
ncons = this_ncons;
ESL_ALLOC(nins, sizeof(int) * (ncons+1));
for (cpos = 0; cpos <= ncons; cpos++)
nins[cpos] = this_nins[cpos];
}
else
{
if (this_ncons != ncons) ESL_XFAIL(eslEFORMAT, afp->errmsg, "unexpected # of consensus residues, didn't match previous seq(s)");
for (cpos = 0; cpos <= ncons; cpos++)
nins[cpos] = ESL_MAX(nins[cpos], this_nins[cpos]);
}
nseq++;
} while (status == eslOK);
/* Now we have nseq *unaligned* sequences in ax/aseq[0..nseq-1]; call the length slen, though we don't explicitly store it
* csflag[idx][spos] tells us whether each unaligned residue is an insertion or consensus, for spos==0..slen-1.
* nins[0..ncons] tells us the max number of inserted residues before each consensus column
* This is sufficient information to reconstruct each aligned sequence.
*/
msa->nseq = nseq;
#ifdef eslAUGMENT_ALPHABET
if (msa->abc) { if ((status = a2m_padding_digital(msa, csflag, nins, ncons)) != eslOK) goto ERROR; }
#endif
if (!msa->abc) { if ((status = a2m_padding_text (msa, csflag, nins, ncons)) != eslOK) goto ERROR; }
if (( status = esl_msa_SetDefaultWeights(msa)) != eslOK) goto ERROR;
*ret_msa = msa;
free(nins);
free(this_nins);
for (idx = 0; idx < msa->nseq; idx++) free(csflag[idx]);
free(csflag);
return eslOK;
ERROR:
if (nins) free(nins);
if (this_nins) free(this_nins);
if (csflag) {
for (idx = 0; idx < msa->nseq; idx++)
if (csflag[idx]) free(csflag[idx]);
free(csflag);
}
if (msa) esl_msa_Destroy(msa);
return status;
}
/* Function: esl_msafile_psiblast_Read()
* Synopsis: Read an alignment in PSI-BLAST's input format.
*
* Purpose: Read an MSA from an open <ESLX_MSAFILE> <afp>, parsing for
* PSI-BLAST input format, starting from the current point.
* Create a new multiple alignment, and return a ptr to
* that alignment via <*ret_msa>. Caller is responsible for
* free'ing this <ESL_MSA>.
*
* The <msa> has a reference line (<msa->rf[]>) that
* corresponds to the uppercase/lowercase columns in the
* alignment: consensus (uppercase) columns are marked 'x',
* and insert (lowercase) columns are marked '.' in this RF
* line.
*
* Args: afp - open <ESL_MSAFILE>
* ret_msa - RETURN: newly parsed <ESL_MSA>
*
* Returns: <eslOK> on success. <*ret_msa> contains the newly
* allocated MSA. <afp> is at EOF.
*
* <eslEOF> if no (more) alignment data are found in
* <afp>, and <afp> is returned at EOF.
*
* <eslEFORMAT> on a parse error. <*ret_msa> is set to
* <NULL>. <afp> contains information sufficient for
* constructing useful diagnostic output:
* | <afp->errmsg> | user-directed error message |
* | <afp->linenumber> | line # where error was detected |
* | <afp->line> | offending line (not NUL-term) |
* | <afp->n> | length of offending line |
* | <afp->bf->filename> | name of the file |
* and <afp> is poised at the start of the following line,
* so (in principle) the caller could try to resume
* parsing.
*
* Throws: <eslEMEM> on allocation error.
* <eslESYS> if a system call fails, such as fread().
* <eslEINCONCEIVABLE> - "impossible" corruption
* On these, <*ret_msa> is returned <NULL>, and the state of
* <afp> is undefined.
*/
int
esl_msafile_psiblast_Read(ESLX_MSAFILE *afp, ESL_MSA **ret_msa)
{
ESL_MSA *msa = NULL;
int idx = 0; /* counter over sequences in a block */
int nblocks = 0; /* counter over blocks */
int64_t alen = 0;
int nseq = 0;
int64_t cur_alen;
esl_pos_t pos; /* position on a line */
esl_pos_t name_start, name_len;
esl_pos_t seq_start, seq_len;
esl_pos_t block_seq_start, block_seq_len;
int status;
ESL_DASSERT1( (afp->format == eslMSAFILE_PSIBLAST) );
afp->errmsg[0] = '\0';
/* allocate a growable MSA. We set msa->{nseq,alen} only when we're done. */
#ifdef eslAUGMENT_ALPHABET
if (afp->abc && (msa = esl_msa_CreateDigital(afp->abc, 16, -1)) == NULL) { status = eslEMEM; goto ERROR; }
#endif
if (! afp->abc && (msa = esl_msa_Create( 16, -1)) == NULL) { status = eslEMEM; goto ERROR; }
/* skip leading blank lines in file */
while ( (status = eslx_msafile_GetLine(afp, NULL, NULL)) == eslOK && esl_memspn(afp->line, afp->n, " \t") == afp->n) ;
if (status != eslOK) goto ERROR; /* includes normal EOF */
/* Read the file a line at a time; if a parsing error occurs, detect immediately, with afp->linenumber set correctly */
do { /* while in the file... */
idx = 0;
do { /* while in a block... */
for (pos = 0; pos < afp->n; pos++) if (! isspace(afp->line[pos])) break; name_start = pos;
for (pos = pos+1; pos < afp->n; pos++) if ( isspace(afp->line[pos])) break; name_len = pos - name_start;
for (pos = pos+1; pos < afp->n; pos++) if (! isspace(afp->line[pos])) break; seq_start = pos;
if (pos >= afp->n) ESL_XFAIL(eslEFORMAT, afp->errmsg, "invalid alignment line");
for (pos = afp->n-1; pos > 0; pos--) if (! isspace(afp->line[pos])) break; seq_len = pos - seq_start + 1;
if (idx == 0) {
block_seq_start = seq_start;
block_seq_len = seq_len;
} else {
if (seq_start != block_seq_start) ESL_XFAIL(eslEFORMAT, afp->errmsg, "sequence start is misaligned");
if (seq_len != block_seq_len) ESL_XFAIL(eslEFORMAT, afp->errmsg, "sequence end is misaligned");
}
/* Process the consensus #=RF line. */
if (idx == 0) {
ESL_REALLOC(msa->rf, sizeof(char) * (alen + seq_len + 1));
for (pos = 0; pos < seq_len; pos++) msa->rf[alen+pos] = '-'; /* anything neutral other than . or x will do. */
msa->rf[alen+pos] = '\0';
}
for (pos = 0; pos < seq_len; pos++)
{
if (afp->line[seq_start+pos] == '-') continue;
if (isupper(afp->line[seq_start+pos])) {
if (msa->rf[alen+pos] == '.') ESL_XFAIL(eslEFORMAT, afp->errmsg, "unexpected upper case residue (#%d on line)", (int) pos+1);
msa->rf[alen+pos] = 'x';
}
if (islower(afp->line[seq_start+pos])) {
if (msa->rf[alen+pos] == 'x') ESL_XFAIL(eslEFORMAT, afp->errmsg, "unexpected lower case residue (#%d on line)", (int) pos+1);
msa->rf[alen+pos] = '.';
}
}
/* Store the sequence name. */
if (nblocks == 0) {
/* make sure we have room for another sequence */
if (idx >= msa->sqalloc && (status = esl_msa_Expand(msa)) != eslOK) goto ERROR;
if ( (status = esl_msa_SetSeqName(msa, idx, afp->line+name_start, name_len)) != eslOK) goto ERROR;
} else {
if (! esl_memstrcmp(afp->line+name_start, name_len, msa->sqname[idx]))
ESL_XFAIL(eslEFORMAT, afp->errmsg, "expected sequence %s on this line, but saw %.*s", msa->sqname[idx], (int) name_len, afp->line+name_start);
}
/* Append the sequence. */
cur_alen = alen;
#ifdef eslAUGMENT_ALPHABET
if (msa->abc) { status = esl_abc_dsqcat(afp->inmap, &(msa->ax[idx]), &(cur_alen), afp->line+seq_start, seq_len); }
#endif
if (! msa->abc) { status = esl_strmapcat (afp->inmap, &(msa->aseq[idx]), &(cur_alen), afp->line+seq_start, seq_len); }
if (status == eslEINVAL) ESL_XFAIL(eslEFORMAT, afp->errmsg, "one or more invalid sequence characters");
else if (status != eslOK) goto ERROR;
if (cur_alen - alen != seq_len) ESL_XFAIL(eslEFORMAT, afp->errmsg, "unexpected number of seq characters");
/* get next line. if it's blank, or if we're EOF, we're done with the block */
idx++;
status = eslx_msafile_GetLine(afp, NULL, NULL);
} while (status == eslOK && esl_memspn(afp->line, afp->n, " \t") < afp->n); /* blank line ends a block. */
if (status != eslOK && status != eslEOF) goto ERROR;
/* End of one block */
if (nblocks == 0) nseq = idx;
else if (idx != nseq) ESL_XFAIL(eslEFORMAT, afp->errmsg, "last block didn't contain same # of seqs as earlier blocks");
alen += block_seq_len;
nblocks++;
/* skip blank lines to start of next block, if any */
while ( (status = eslx_msafile_GetLine(afp, NULL, NULL)) == eslOK && esl_memspn(afp->line, afp->n, " \t") == afp->n) ;
} while (status == eslOK);
if (status != eslEOF) goto ERROR;
msa->nseq = nseq;
msa->alen = alen;
if (( status = esl_msa_SetDefaultWeights(msa)) != eslOK) goto ERROR;
*ret_msa = msa;
return eslOK;
ERROR:
if (msa) esl_msa_Destroy(msa);
*ret_msa = NULL;
return status;
}