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/* I/O of multiple sequence alignment files in SELEX format
*
* Contents:
* 1. API for reading/writing SELEX input.
* 2. Internal functions for a block of input lines.
* 3. Internal functions for parsing SELEX input.
* 4. Unit tests.
* 5. Test driver.
* 6. Examples.
*
* Notes:
* In SELEX, a tricky and unusual issue is that spaces are allowed
* as gaps, and can even overlap names. Alignments like this are
* legitimate:
* seq1_longname ACCCGGT
* seq2 AAAAACCCGGTT
*
* You can't determine the aligned length of any sequence in the
* block without seeing the whole block. We define an internal
* object (an ESL_SELEX_BLOCK) and some local functions to handle
* reading a block of input lines from an input buffer.
*
* Even though spaces are allowed as gaps in input files, Easel
* disallows them internally, even in text-mode alignments. Any
* spaces are mapped to '.'.
*/
#include "esl_config.h"
#include <stdio.h>
#include <stdlib.h>
#include <string.h>
#include <ctype.h>
#include "easel.h"
#include "esl_alphabet.h"
#include "esl_mem.h"
#include "esl_msa.h"
#include "esl_msafile.h"
#include "esl_msafile_selex.h"
#define eslSELEX_LINE_SQ 1
#define eslSELEX_LINE_RF 2
#define eslSELEX_LINE_CS 3
#define eslSELEX_LINE_SS 4
#define eslSELEX_LINE_SA 5
#define eslSELEX_LINE_MM 6
typedef struct {
char **line; /* line[0..nlines-1][0..llen-1]: memory lines in input buffer */
esl_pos_t *llen; /* length of line[] in bytes */
esl_pos_t *offsets; /* offset of start of each line in input buffer */
int64_t *linenum; /* line number of each line[] in input */
int *ltype; /* code for line type: eslSELEX_LINE_SQ, etc. */
esl_pos_t *lpos; /* leftmost position of seq data on line[], 0..llen-1 [or -1] */
esl_pos_t *rpos; /* rightmost pos of seq data on line[], 0..llen-1 [or -1] */
int nlines; /* number of lines in this block */
int nalloc; /* number of lines allocated for (>=nlines) */
esl_pos_t anchor; /* input buffer anchor set at the start of the block */
} ESL_SELEX_BLOCK;
static ESL_SELEX_BLOCK *selex_block_Create(int nalloc);
static int selex_block_Grow(ESL_SELEX_BLOCK *b);
static void selex_block_Destroy(ESL_SELEX_BLOCK *b);
static int selex_ErrorInBlock(ESL_MSAFILE *afp, ESL_SELEX_BLOCK *b, int idx);
static int selex_read_block (ESL_MSAFILE *afp, ESL_SELEX_BLOCK **block_p);
static int selex_first_block (ESL_MSAFILE *afp, ESL_SELEX_BLOCK *b, ESL_MSA **ret_msa);
static int selex_other_block (ESL_MSAFILE *afp, ESL_SELEX_BLOCK *b, ESL_MSA *msa);
static int selex_append_block(ESL_MSAFILE *afp, ESL_SELEX_BLOCK *b, ESL_MSA *msa);
/*****************************************************************
* 1. API for reading/writing SELEX input
*****************************************************************/
/* Function: esl_msafile_selex_SetInmap()
* Synopsis: Set the input map for SELEX format
*
* Purpose: Set <afp->inmap> for selex input.
*
* In text mode, accept any <isgraph()> character, plus space.
* In digital mode, accept standard Easel alphabets, plus map
* space to gap.
*
* SELEX not only tolerates spaces in input, it
* allows a space as a gap character. (Which significantly
* complicates parsing.)
*
* The inmap may not contain any <eslDSQ_IGNORED> mappings.
* Annotation lines are parsed literally: every character
* is copied. If some characters of the aligned sequence
* were ignored, we'd be misaligned with the annotation.
* In general, because of this, it seems unlikely that any
* alignment format would use <eslDSQ_IGNORED> mappings.
*/
int
esl_msafile_selex_SetInmap(ESL_MSAFILE *afp)
{
int sym;
if (afp->abc)
{
for (sym = 0; sym < 128; sym++)
afp->inmap[sym] = afp->abc->inmap[sym];
afp->inmap[0] = esl_abc_XGetUnknown(afp->abc);
afp->inmap[' '] = esl_abc_XGetGap(afp->abc);
}
if (! afp->abc)
{
for (sym = 1; sym < 128; sym++)
afp->inmap[sym] = (isgraph(sym) ? sym : eslDSQ_ILLEGAL);
afp->inmap[0] = '?';
afp->inmap[' '] = '.'; /* Easel does not allow spaces as gap characters. */
}
return eslOK;
}
/* Function: esl_msafile_selex_GuessAlphabet()
* Synopsis: Guess the alphabet of an open PSI-BLAST MSA file.
*
* Purpose: Guess the alpbabet of the sequences in open
* SELEX format MSA file <afp>.
*
* On a normal return, <*ret_type> is set to <eslDNA>,
* <eslRNA>, or <eslAMINO>, and <afp> is reset to its
* original position.
*
* Args: afp - open SELEX format MSA file
* ret_type - RETURN: <eslDNA>, <eslRNA>, or <eslAMINO>
*
* Returns: <eslOK> on success.
* <eslENOALPHABET> if alphabet type can't be determined.
* In either case, <afp> is rewound to the position it
* started at.
*/
int
esl_msafile_selex_GuessAlphabet(ESL_MSAFILE *afp, int *ret_type)
{
int alphatype = eslUNKNOWN;
esl_pos_t anchor = -1;
int threshold[3] = { 500, 5000, 50000 }; /* we check after 500, 5000, 50000 residues; else we go to EOF */
int nsteps = 3;
int step = 0;
int nres = 0;
int x;
int64_t ct[26];
char *p, *tok;
esl_pos_t n, toklen, pos;
int status;
for (x = 0; x < 26; x++) ct[x] = 0;
anchor = esl_buffer_GetOffset(afp->bf);
if ((status = esl_buffer_SetAnchor(afp->bf, anchor)) != eslOK) { status = eslEINCONCEIVABLE; goto ERROR; } /* [eslINVAL] can't happen here */
while ( (status = esl_buffer_GetLine(afp->bf, &p, &n)) == eslOK)
{
if ((status = esl_memtok(&p, &n, " \t", &tok, &toklen)) != eslOK) continue; /* blank lines */
if (*tok == '#') continue; /* comments and annotation */
/* p now points to the rest of the sequence line, after a name */
/* count characters into ct[] array */
for (pos = 0; pos < n; pos++)
if (isalpha(p[pos])) {
x = toupper(p[pos]) - 'A';
ct[x]++;
nres++;
}
/* try to stop early, checking after 500, 5000, and 50000 residues: */
if (step < nsteps && nres > threshold[step]) {
if ((status = esl_abc_GuessAlphabet(ct, &alphatype)) == eslOK) goto DONE; /* (eslENOALPHABET) */
step++;
}
}
if (status != eslEOF) goto ERROR; /* [eslEMEM,eslESYS,eslEINCONCEIVABLE] */
status = esl_abc_GuessAlphabet(ct, &alphatype); /* (eslENOALPHABET) */
DONE:
esl_buffer_SetOffset(afp->bf, anchor); /* Rewind to where we were. */
esl_buffer_RaiseAnchor(afp->bf, anchor);
*ret_type = alphatype;
return status;
ERROR:
if (anchor != -1) {
esl_buffer_SetOffset(afp->bf, anchor);
esl_buffer_RaiseAnchor(afp->bf, anchor);
}
*ret_type = eslUNKNOWN;
return status;
}
/* Function: esl_msafile_selex_Read()
* Synopsis: Read in a SELEX format alignment.
*
* Purpose: Read an MSA from an open <ESL_MSAFILE> <afp>,
* parsing for SELEX format, starting from the
* current point. (<afp->format> is expected to
* be <eslMSAFILE_SELEX>.) Create a new multiple
* alignment and return it via <*ret_msa>.
* Caller is responsible for free'ing this
* <ESL_MSA>.
*
* Args: afp - open <ESL_MSAFILE>
* ret_msa - RETURN: newly parsed <ESL_MSA>
*
* Returns: <eslOK> on success.
*
* <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
*/
int
esl_msafile_selex_Read(ESL_MSAFILE *afp, ESL_MSA **ret_msa)
{
ESL_MSA *msa = NULL;
ESL_SELEX_BLOCK *b = NULL;
int32_t nblocks = 0;
int status;
ESL_DASSERT1( (afp->format == eslMSAFILE_SELEX) );
afp->errmsg[0] = '\0';
while ( (status = selex_read_block(afp, &b)) == eslOK)
{
if (! nblocks && (status = selex_first_block(afp, b, &msa)) != eslOK) goto ERROR;
else if ( nblocks && (status = selex_other_block(afp, b, msa)) != eslOK) goto ERROR;
if ((status = selex_append_block(afp, b, msa)) != eslOK) goto ERROR;
esl_buffer_RaiseAnchor(afp->bf, b->anchor);
b->anchor = -1;
nblocks++;
}
/* selex_read_block took care of destroying the block! */
if (status != eslEOF || nblocks == 0) goto ERROR;
msa->offset = 0;
if (( status = esl_msa_SetDefaultWeights(msa)) != eslOK) goto ERROR;
*ret_msa = msa;
return eslOK;
ERROR:
if (b) {
if (b->anchor != -1) esl_buffer_RaiseAnchor(afp->bf, b->anchor);
selex_block_Destroy(b);
}
*ret_msa = NULL;
return status;
}
/* Function: esl_msafile_selex_Write()
* Synopsis: Write a SELEX format alignment to a stream
*
* Purpose: Write alignment <msa> to output stream <fp>,
* in SELEX format. The alignment is written
* in blocks of 60 aligned residues at a time.
*
* Args: fp - open output stream, writable
* msa - alignment to write
*
* Returns: <eslOK> on success.
*
* Throws: <eslEMEM> on allocation error.
* <eslEWRITE> on any system write error, such
* as a filled disk.
*/
int
esl_msafile_selex_Write(FILE *fp, const ESL_MSA *msa)
{
int cpl = 60;
int maxnamelen = 4; /* init to 4 because minimum name field is #=CS, etc. */
int namelen;
char *buf = NULL;
int i;
int64_t apos;
int status;
ESL_ALLOC(buf, sizeof(char) * (cpl+1));
buf[cpl] = '\0';
for (i = 0; i < msa->nseq; i++) {
namelen = strlen(msa->sqname[i]);
maxnamelen = ESL_MAX(namelen, maxnamelen);
}
for (apos = 0; apos < msa->alen; apos += cpl)
{
if (apos && fprintf(fp, "\n") < 0) ESL_XEXCEPTION_SYS(eslEWRITE, "selex msa write failed");
if (msa->ss_cons && fprintf(fp, "%-*s %.*s\n", maxnamelen, "#=CS", cpl, msa->ss_cons+apos) < 0) ESL_XEXCEPTION_SYS(eslEWRITE, "selex msa write failed");
if (msa->rf && fprintf(fp, "%-*s %.*s\n", maxnamelen, "#=RF", cpl, msa->rf+apos) < 0) ESL_XEXCEPTION_SYS(eslEWRITE, "selex msa write failed");
if (msa->mm && fprintf(fp, "%-*s %.*s\n", maxnamelen, "#=MM", cpl, msa->mm+apos) < 0) ESL_XEXCEPTION_SYS(eslEWRITE, "selex msa write failed");
for (i = 0; i < msa->nseq; i++)
{
if (msa->abc) esl_abc_TextizeN(msa->abc, msa->ax[i]+apos+1, cpl, buf);
if (! msa->abc) strncpy(buf, msa->aseq[i]+apos, cpl);
if (fprintf(fp, "%-*s %s\n", maxnamelen, msa->sqname[i], buf) < 0) ESL_XEXCEPTION_SYS(eslEWRITE, "selex msa write failed");
if (msa->ss && msa->ss[i]) { if (fprintf(fp, "%-*s %.*s\n", maxnamelen, "#=SS", cpl, msa->ss[i]+apos) < 0) ESL_XEXCEPTION_SYS(eslEWRITE, "selex msa write failed"); }
if (msa->sa && msa->sa[i]) { if (fprintf(fp, "%-*s %.*s\n", maxnamelen, "#=SA", cpl, msa->sa[i]+apos) < 0) ESL_XEXCEPTION_SYS(eslEWRITE, "selex msa write failed"); }
}
}
free(buf);
return eslOK;
ERROR:
if (buf) free(buf);
return status;
}
/*--------------------- end, SELEX i/o API ----------------------*/
/*****************************************************************
* 2. Internal functions handling a block of input lines.
*****************************************************************/
static ESL_SELEX_BLOCK *
selex_block_Create(int nalloc)
{
ESL_SELEX_BLOCK *b = NULL;
int idx;
int status;
ESL_ALLOC(b, sizeof(ESL_SELEX_BLOCK));
b->line = NULL;
b->llen = NULL;
b->offsets = NULL;
b->linenum = NULL;
b->ltype = NULL;
b->lpos = NULL;
b->rpos = NULL;
b->nlines = 0;
b->anchor = -1; /* -1 is a flag for "unused" */
ESL_ALLOC(b->line, sizeof(char *) * nalloc);
ESL_ALLOC(b->llen, sizeof(esl_pos_t) * nalloc);
ESL_ALLOC(b->offsets, sizeof(esl_pos_t) * nalloc);
ESL_ALLOC(b->linenum, sizeof(int64_t) * nalloc);
ESL_ALLOC(b->ltype, sizeof(int) * nalloc);
ESL_ALLOC(b->lpos, sizeof(esl_pos_t) * nalloc);
ESL_ALLOC(b->rpos, sizeof(esl_pos_t) * nalloc);
for (idx = 0; idx < nalloc; idx++)
{
b->line[idx] = NULL;
b->llen[idx] = 0;
b->offsets[idx] = 0;
b->linenum[idx] = 0;
b->ltype[idx] = 0;
b->lpos[idx] = 0;
b->rpos[idx] = 0;
}
b->nalloc = nalloc;
return b;
ERROR:
if (b) selex_block_Destroy(b);
return NULL;
}
static int
selex_block_Grow(ESL_SELEX_BLOCK *b)
{
int idx;
int status;
ESL_REALLOC(b->line, sizeof(char *) * b->nalloc * 2);
ESL_REALLOC(b->llen, sizeof(esl_pos_t) * b->nalloc * 2);
ESL_REALLOC(b->offsets, sizeof(esl_pos_t) * b->nalloc * 2);
ESL_REALLOC(b->linenum, sizeof(int64_t) * b->nalloc * 2);
ESL_REALLOC(b->ltype, sizeof(int) * b->nalloc * 2);
ESL_REALLOC(b->lpos, sizeof(esl_pos_t) * b->nalloc * 2);
ESL_REALLOC(b->rpos, sizeof(esl_pos_t) * b->nalloc * 2);
for (idx = b->nalloc; idx < b->nalloc*2; idx++)
{
b->line[idx] = NULL;
b->llen[idx] = 0;
b->offsets[idx] = 0;
b->linenum[idx] = 0;
b->ltype[idx] = 0;
b->lpos[idx] = 0;
b->rpos[idx] = 0;
}
b->nalloc *= 2;
return eslOK;
ERROR:
return status;
}
static void
selex_block_Destroy(ESL_SELEX_BLOCK *b)
{
if (!b) return;
if (b->line) free(b->line);
if (b->llen) free(b->llen);
if (b->offsets) free(b->offsets);
if (b->linenum) free(b->linenum);
if (b->ltype) free(b->ltype);
if (b->lpos) free(b->lpos);
if (b->rpos) free(b->rpos);
free(b);
return;
}
/*------- end, internal functions for input line blocks ---------*/
/*****************************************************************
* 3. Internal functions for parsing SELEX input.
*****************************************************************/
/* Before we return a parse error,
* reset the <afp> so its current line is the one at fault.
*/
static int
selex_ErrorInBlock(ESL_MSAFILE *afp, ESL_SELEX_BLOCK *b, int which)
{
afp->line = b->line[which];
afp->n = b->llen[which];
afp->lineoffset = b->offsets[which];
afp->linenumber = b->linenum[which];
return esl_buffer_SetOffset(afp->bf, b->offsets[which] + b->llen[which]);
}
/* selex_read_block: read one block of alignment data.
*
* Note that line numbers aren't necessarily consecutive,
* because we're stripping out comment lines here. On a parse error
* on a specific line, we're going to reset the buffer to that line,
* and we'll need the linenumber to do that reset.
*
* The <afp> detected the end of the block by reading a blank line, or EOF.
* Thus its point is at the next line after that blank, or at EOF.
*
* The <afp> has a stable anchor set at (*block_p)->anchor.
* Caller must raise this anchor when it's done parsing the block.
*
* Returns: <eslOK> on success.
*
* <eslEOF> if no more blocks are found in the input.
* <eslEFORMAT> on failure, if a subsequent block has a
* different number of data lines than the first block.
* On normal errors, all the references are returned set to NULL.
*
* Throws: <eslEMEM> on allocation failure.
*/
static int
selex_read_block(ESL_MSAFILE *afp, ESL_SELEX_BLOCK **block_p)
{
ESL_SELEX_BLOCK *b = *block_p; /* now b==NULL if first block; or on subsequent blocks, reuse prev block storage. */
int idx = 0;
int status;
/* Advance past blank lines until we have the first line of next
* block. We may hit a normal EOF here, in which case we return
* EOF, we're done.
*/
do {
if ( ( status = esl_msafile_GetLine(afp, NULL, NULL)) != eslOK) goto ERROR; /* EOF here is a normal EOF */
} while (esl_memspn(afp->line, afp->n, " \t") == afp->n || /* idiomatic for "blank line" */
(esl_memstrpfx(afp->line, afp->n, "#") && ! esl_memstrpfx(afp->line, afp->n, "#="))); /* a SELEX comment line */
/* if this is first block, allocate block; subsequent blocks reuse it */
if (!b && (b = selex_block_Create(16)) == NULL) { status = eslEMEM; goto ERROR; }
/* Anchor stably at this point. */
b->anchor = afp->lineoffset;
if ((status = esl_buffer_SetStableAnchor(afp->bf, b->anchor)) != eslOK) goto ERROR;
/* Parse for a block of lines. */
do {
if (b->nalloc && idx == b->nalloc && (status = selex_block_Grow(b)) != eslOK) goto ERROR;
b->line[idx] = afp->line;
b->llen[idx] = afp->n;
b->offsets[idx] = afp->lineoffset;
b->linenum[idx] = afp->linenumber; /* ltype, lpos, rpos aren't set yet */
idx++;
/* Get next non-comment line; this can be next line of block, blank (end of block), or EOF. */
do {
status = esl_msafile_GetLine(afp, NULL, NULL);
} while ( status == eslOK && (esl_memstrpfx(afp->line, afp->n, "#") && ! esl_memstrpfx(afp->line, afp->n, "#=")));
} while (status == eslOK && esl_memspn(afp->line, afp->n, " \t") < afp->n); /* end of block on EOF or blank line */
if (*block_p && b->nlines != idx)
ESL_XFAIL(eslEFORMAT, afp->errmsg, "expected %d lines in block, saw %d", b->nlines, idx);
b->nlines = idx;
*block_p = b;
return eslOK; /* EOF status gets turned into OK: we've read a block successfully and hit EOF. Next call will generate the EOF */
ERROR:
if (b && b->anchor != -1) esl_buffer_RaiseAnchor(afp->bf, b->anchor);
if (b) selex_block_Destroy(b);
*block_p = NULL;
return status;
}
/* selex_first_block()
*
* 1. Determine and store line types, in b->ltype[0..b->nlines-1].
* 2. From the number of eslSELEX_LINE_SQ lines, we know nseq.
* 3. From nseq, we can allocate a new MSA.
* 4. Parse each line for sequence names, and store them.
* 5. Determine lpos[] for each line.
*/
static int
selex_first_block(ESL_MSAFILE *afp, ESL_SELEX_BLOCK *b, ESL_MSA **ret_msa)
{
ESL_MSA *msa = NULL;
int nrf, nmm, ncs, nss, nsa, nseq;
int has_ss, has_sa;
char *p, *tok;
esl_pos_t n, ntok;
int idx, seqi;
int status;
afp->errmsg[0] = '\0';
nrf = nmm = ncs = nss = nsa = nseq = 0;
has_ss = has_sa = FALSE;
for (idx = 0; idx < b->nlines; idx++)
{
if (esl_memstrpfx(b->line[idx], b->llen[idx], "#=RF")) { b->ltype[idx] = eslSELEX_LINE_RF; nrf++; }
else if (esl_memstrpfx(b->line[idx], b->llen[idx], "#=MM")) { b->ltype[idx] = eslSELEX_LINE_MM; nmm++; }
else if (esl_memstrpfx(b->line[idx], b->llen[idx], "#=CS")) { b->ltype[idx] = eslSELEX_LINE_CS; ncs++; }
else if (esl_memstrpfx(b->line[idx], b->llen[idx], "#=SS")) { b->ltype[idx] = eslSELEX_LINE_SS; nss++; has_ss = TRUE; }
else if (esl_memstrpfx(b->line[idx], b->llen[idx], "#=SA")) { b->ltype[idx] = eslSELEX_LINE_SA; nsa++; has_sa = TRUE; }
else { b->ltype[idx] = eslSELEX_LINE_SQ; nseq++; nss = nsa = 0; }
if (nss && !nseq) { selex_ErrorInBlock(afp, b, idx); ESL_XFAIL(eslEFORMAT, afp->errmsg, "#=SS must follow a sequence"); }
if (nsa && !nseq) { selex_ErrorInBlock(afp, b, idx); ESL_XFAIL(eslEFORMAT, afp->errmsg, "#=SA must follow a sequence"); }
if (nrf > 1) { selex_ErrorInBlock(afp, b, idx); ESL_XFAIL(eslEFORMAT, afp->errmsg, "Too many #=RF lines for block"); }
if (ncs > 1) { selex_ErrorInBlock(afp, b, idx); ESL_XFAIL(eslEFORMAT, afp->errmsg, "Too many #=CS lines for block"); }
if (nss > 1) { selex_ErrorInBlock(afp, b, idx); ESL_XFAIL(eslEFORMAT, afp->errmsg, "Too many #=SS lines for seq"); }
if (nsa > 1) { selex_ErrorInBlock(afp, b, idx); ESL_XFAIL(eslEFORMAT, afp->errmsg, "Too many #=SA lines for seq"); }
}
if ( afp->abc && (msa = esl_msa_CreateDigital(afp->abc, nseq, -1)) == NULL) { status = eslEMEM; goto ERROR; } /* a growable MSA */
if (!afp->abc && (msa = esl_msa_Create( nseq, -1)) == NULL) { status = eslEMEM; goto ERROR; }
if (has_ss) {
ESL_ALLOC(msa->ss, sizeof(char *) * nseq);
for (seqi = 0; seqi < nseq; seqi++) msa->ss[seqi] = NULL;
}
if (has_sa) {
ESL_ALLOC(msa->sa, sizeof(char *) * nseq);
for (seqi = 0; seqi < nseq; seqi++) msa->sa[seqi] = NULL;
}
msa->nseq = nseq;
msa->alen = 0;
for (seqi = 0, idx = 0; idx < b->nlines; idx++)
{
p = b->line[idx];
n = b->llen[idx];
if ( esl_memtok(&p, &n, " \t", &tok, &ntok) != eslOK) ESL_XEXCEPTION(eslEINCONCEIVABLE, "can't happen"); /* because a block by definition consists of non-blank lines */
if (b->ltype[idx] == eslSELEX_LINE_SQ) /* otherwise, first token is #=XX marking annotation of some sort */
{
if ((status = esl_msa_SetSeqName(msa, seqi, tok, ntok)) != eslOK) goto ERROR;
seqi++;
}
b->lpos[idx] = (n ? p-b->line[idx] : -1); /* set lpos[] to position of first seq or annotation residue */
}
*ret_msa = msa;
return eslOK;
ERROR:
if (msa) esl_msa_Destroy(msa);
*ret_msa = NULL;
return status;
}
/* selex_other_block()
* We've already parsed the first block.
* So we know the order of line types, nseq, and sequence names.
* Validate that a subsequent block has the same.
*/
static int
selex_other_block(ESL_MSAFILE *afp, ESL_SELEX_BLOCK *b, ESL_MSA *msa)
{
char *p, *tok;
esl_pos_t n, ntok;
int idx, seqi;
/* Validate line types */
for (idx = 0; idx < b->nlines; idx++)
{
if (esl_memstrpfx(b->line[idx], b->llen[idx], "#=RF")) { if (b->ltype[idx] != eslSELEX_LINE_RF) { selex_ErrorInBlock(afp, b, idx); ESL_FAIL(eslEFORMAT, afp->errmsg, "#=RF line isn't in expected order in block"); } }
else if (esl_memstrpfx(b->line[idx], b->llen[idx], "#=MM")) { if (b->ltype[idx] != eslSELEX_LINE_MM) { selex_ErrorInBlock(afp, b, idx); ESL_FAIL(eslEFORMAT, afp->errmsg, "#=MM line isn't in expected order in block"); } }
else if (esl_memstrpfx(b->line[idx], b->llen[idx], "#=CS")) { if (b->ltype[idx] != eslSELEX_LINE_CS) { selex_ErrorInBlock(afp, b, idx); ESL_FAIL(eslEFORMAT, afp->errmsg, "#=CS line isn't in expected order in block"); } }
else if (esl_memstrpfx(b->line[idx], b->llen[idx], "#=SS")) { if (b->ltype[idx] != eslSELEX_LINE_SS) { selex_ErrorInBlock(afp, b, idx); ESL_FAIL(eslEFORMAT, afp->errmsg, "#=SS line isn't in expected order in block"); } }
else if (esl_memstrpfx(b->line[idx], b->llen[idx], "#=SA")) { if (b->ltype[idx] != eslSELEX_LINE_SA) { selex_ErrorInBlock(afp, b, idx); ESL_FAIL(eslEFORMAT, afp->errmsg, "#=SA line isn't in expected order in block"); } }
else { if (b->ltype[idx] != eslSELEX_LINE_SQ) { selex_ErrorInBlock(afp, b, idx); ESL_FAIL(eslEFORMAT, afp->errmsg, "sequence line isn't in expected order in block"); } }
}
/* Validate seq names, and set lpos */
for (seqi = 0, idx = 0; idx < b->nlines; idx++)
{
p = b->line[idx];
n = b->llen[idx];
if ( esl_memtok(&p, &n, " \t", &tok, &ntok) != eslOK) ESL_EXCEPTION(eslEINCONCEIVABLE, "can't happen"); /* because a block by definition consists of non-blank lines */
if (b->ltype[idx] == eslSELEX_LINE_SQ)
{
if (! esl_memstrcmp(tok, ntok, msa->sqname[seqi])) { selex_ErrorInBlock(afp, b, idx); ESL_FAIL(eslEFORMAT, afp->errmsg, "expected sequence %s at this line of block", msa->sqname[seqi]); }
seqi++;
}
b->lpos[idx] = (n ? p-b->line[idx] : -1); /* set lpos[] to position of first seq or annotation residue */
}
return eslOK;
}
static int
selex_append_block(ESL_MSAFILE *afp, ESL_SELEX_BLOCK *b, ESL_MSA *msa)
{
char *p;
esl_pos_t pos;
int idx, seqi;
esl_pos_t leftmost, rightmost;
int64_t nadd; /* width of this sequence block, in aligned columns added to msa */
esl_pos_t nleft, ntext;
int64_t alen;
int status;
/* Determine rpos for each line. */
for (idx = 0; idx < b->nlines; idx++)
{
p = b->line[idx];
pos = b->llen[idx] - 1;
while (pos>=0 && isspace(p[pos])) pos--;
b->rpos[idx] = ( (pos < b->lpos[idx]) ? -1 : pos); /* -1: a completely blank seq line is valid */
}
/* Determine leftmost and rightmost positions for entire block */
leftmost = b->lpos[0];
rightmost = b->rpos[0];
for (idx = 1; idx < b->nlines; idx++) {
leftmost = (b->lpos[idx] == -1) ? leftmost : ESL_MIN(leftmost, b->lpos[idx]);
rightmost = (b->rpos[idx] == -1) ? rightmost : ESL_MAX(rightmost, b->rpos[idx]);
}
if (rightmost == -1) return eslOK; /* super special case: no sequence or annotation data in this block at all! */
nadd = rightmost - leftmost + 1;
/* Appends */
for (seqi = 0, idx = 0; idx < b->nlines; idx++)
{
nleft = ((b->lpos[idx] != -1) ? b->lpos[idx] - leftmost : nadd); /* watch special case of all whitespace on data line, lpos>rpos */
ntext = ((b->lpos[idx] != -1) ? b->rpos[idx] - b->lpos[idx] + 1 : 0);
//nright = ((b->lpos[idx] != -1) ? rightmost - b->rpos[idx] : 0); // someday you might want to know nright, but for now the code doesn't use it
if (b->ltype[idx] == eslSELEX_LINE_SQ)
{
if (msa->abc)
{ /* digital sequence append - mapped, preallocated */
ESL_REALLOC(msa->ax[seqi], sizeof(ESL_DSQ) * (msa->alen + nadd + 2));
if (msa->alen == 0) msa->ax[seqi][0] = eslDSQ_SENTINEL;
for (alen = msa->alen; alen < msa->alen+nleft; alen++) msa->ax[seqi][alen+1] = esl_abc_XGetGap(msa->abc);
status = esl_abc_dsqcat_noalloc(afp->inmap, msa->ax[seqi], &alen, b->line[idx] + b->lpos[idx], ntext);
if (status == eslEINVAL) { selex_ErrorInBlock(afp, b, idx); ESL_FAIL(eslEFORMAT, afp->errmsg, "illegal residue(s) in sequence line"); }
else if (status != eslOK) { selex_ErrorInBlock(afp, b, idx); goto ERROR; }
if (alen != msa->alen + nleft + ntext) { selex_ErrorInBlock(afp, b, idx); ESL_EXCEPTION(eslEINCONCEIVABLE, afp->errmsg, "unexpected inconsistency appending a sequence"); };
for (; alen < msa->alen+nadd; alen++) msa->ax[seqi][alen+1] = esl_abc_XGetGap(msa->abc);
msa->ax[seqi][alen+1] = eslDSQ_SENTINEL;
}
if (! msa->abc)
{ /* text mode sequence append - mapped, preallocated */
ESL_REALLOC(msa->aseq[seqi], sizeof(char) * (msa->alen + nadd + 1));
for (alen = msa->alen; alen < msa->alen+nleft; alen++) msa->aseq[seqi][alen] = '.';
status = esl_strmapcat_noalloc(afp->inmap, msa->aseq[seqi], &alen, b->line[idx] + b->lpos[idx], ntext);
if (status == eslEINVAL) { selex_ErrorInBlock(afp, b, idx); ESL_FAIL(eslEFORMAT, afp->errmsg, "illegal residue(s) in input line"); }
else if (status != eslOK) { selex_ErrorInBlock(afp, b, idx); goto ERROR; }
if (alen != msa->alen + nleft + ntext) { selex_ErrorInBlock(afp, b, idx); ESL_EXCEPTION(eslEINCONCEIVABLE, afp->errmsg, "unexpected inconsistency appending a sequence"); };
for (; alen < msa->alen+nadd; alen++) msa->aseq[seqi][alen] = '.';
msa->aseq[seqi][alen] = '\0';
}
seqi++;
}
else
{ /* annotation append: not mapped, characters are copied exactly as they are */
if (b->ltype[idx] == eslSELEX_LINE_RF) { ESL_REALLOC(msa->rf, sizeof(char) * (msa->alen + nadd + 1)); p = msa->rf; }
if (b->ltype[idx] == eslSELEX_LINE_MM) { ESL_REALLOC(msa->mm, sizeof(char) * (msa->alen + nadd + 1)); p = msa->mm; }
else if (b->ltype[idx] == eslSELEX_LINE_CS) { ESL_REALLOC(msa->ss_cons, sizeof(char) * (msa->alen + nadd + 1)); p = msa->ss_cons; }
else if (b->ltype[idx] == eslSELEX_LINE_SS) { ESL_REALLOC(msa->ss[seqi-1], sizeof(char) * (msa->alen + nadd + 1)); p = msa->ss[seqi-1]; }
else if (b->ltype[idx] == eslSELEX_LINE_SA) { ESL_REALLOC(msa->sa[seqi-1], sizeof(char) * (msa->alen + nadd + 1)); p = msa->sa[seqi-1]; }
for (alen = msa->alen; alen < msa->alen+nleft; alen++) p[alen] = '.';
if (ntext) memcpy(p+msa->alen+nleft, b->line[idx]+b->lpos[idx], sizeof(char)*ntext);
for (alen = msa->alen+nleft+ntext; alen < msa->alen+nadd; alen++) p[alen] = '.';
p[alen] = '\0';
}
}
msa->alen += nadd;
return eslOK;
ERROR:
return status;
}
/*****************************************************************
* 4. Unit tests.
*****************************************************************/
#ifdef eslMSAFILE_SELEX_TESTDRIVE
static void
utest_write_good1(FILE *ofp, int *ret_alphatype, int *ret_nseq, int *ret_alen)
{
fputs("seq1 ACDEFGHIKLMNPQRSTVWY\n", ofp);
fputs("seq2 ACDEFGHIKLMNPQRSTVWY\n", ofp);
fputs("seq3 ACDEFGHIKLMNPQRSTVWY\n", ofp);
fputs("seq4 ACDEFGHIKLMNPQRSTVWY\n", ofp);
fputs("seq5 ACDEFGHIKLMNPQRSTVWY\n", ofp);
*ret_alphatype = eslAMINO;
*ret_nseq = 5;
*ret_alen = 20;
}
static void
utest_write_good2(FILE *ofp, int *ret_alphatype, int *ret_nseq, int *ret_alen)
{
fputs("# DOS format (\\r\\n), and doesn't end in a newline.\r\n", ofp);
fputs("# \r\n", ofp);
fputs("#=RF xxxxxxxxxxxxxxxxxxxx\r\n", ofp);
fputs("#=CS xxxxxxxxxxxxxxxxxxxx\r\n", ofp);
fputs("seq1 ACDEFGHIKLMNPQRSTVWY\r\n", ofp);
fputs("#=SS xxxxxxxxxxxxxxxxxxxx\r\n", ofp);
fputs("#=SA xxxxxxxxxxxxxxxxxxxx\r\n", ofp);
fputs("seq2 ACDEFGHIKLMNPQRSTVWY\r\n", ofp);
fputs("#=SS xxxxxxxxxxxxxxxxxxxx\r\n", ofp);
fputs("#=SA xxxxxxxxxxxxxxxxxxxx\r\n", ofp);
fputs("seq3 ACDEFGHIKLMNPQRSTVWY\r\n", ofp);
fputs("#=SS xxxxxxxxxxxxxxxxxxxx\r\n", ofp);
fputs("#=SA xxxxxxxxxxxxxxxxxxxx\r\n", ofp);
fputs("seq4 ACDEFGHIKLMNPQRSTVWY\r\n", ofp);
fputs("#=SS xxxxxxxxxxxxxxxxxxxx\r\n", ofp);
fputs("#=SA xxxxxxxxxxxxxxxxxxxx\r\n", ofp);
fputs("seq5 ACDEFGHIKLMNPQRSTVWY\r\n", ofp);
fputs("#=SS xxxxxxxxxxxxxxxxxxxx\r\n", ofp);
fputs("#=SA xxxxxxxxxxxxxxxxxxxx\r\n", ofp);
fputs("\r\n", ofp);
fputs("#=RF xxxxxxxxxxxxxxxxxxxx\r\n", ofp);
fputs("#=CS xxxxxxxxxxxxxxxxxxxx\r\n", ofp);
fputs("seq1 ACDEFGHIKLMNPQRSTVWY\r\n", ofp);
fputs("#=SS xxxxxxxxxxxxxxxxxxxx\r\n", ofp);
fputs("#=SA xxxxxxxxxxxxxxxxxxxx\r\n", ofp);
fputs("seq2 ACDEFGHIKLMNPQRSTVWY\r\n", ofp);
fputs("#=SS xxxxxxxxxxxxxxxxxxxx\r\n", ofp);
fputs("#=SA xxxxxxxxxxxxxxxxxxxx\r\n", ofp);
fputs("seq3 ACDEFGHIKLMNPQRSTVWY\r\n", ofp);
fputs("#=SS xxxxxxxxxxxxxxxxxxxx\r\n", ofp);
fputs("#=SA xxxxxxxxxxxxxxxxxxxx\r\n", ofp);
fputs("seq4 ACDEFGHIKLMNPQRSTVWY\r\n", ofp);
fputs("#=SS xxxxxxxxxxxxxxxxxxxx\r\n", ofp);
fputs("#=SA xxxxxxxxxxxxxxxxxxxx\r\n", ofp);
fputs("seq5 ACDEFGHIKLMNPQRSTVWY\r\n", ofp);
fputs("#=SS xxxxxxxxxxxxxxxxxxxx\r\n", ofp);
fputs("#=SA xxxxxxxxxxxxxxxxxxxx", ofp);
*ret_alphatype = eslAMINO;
*ret_nseq = 5;
*ret_alen = 40;
}
static void
utest_write_good3(FILE *ofp, int *ret_alphatype, int *ret_nseq, int *ret_alen)
{
fputs("\n", ofp);
fputs("#=CS\n", ofp);
fputs("#=RF\n", ofp);
fputs("seq1 ACDEFGHIKLMNPQRSTVWY\n", ofp);
fputs("long_name GHIKLMNPQRSTVWY\n", ofp);
fputs("blank_seq_all_gaps \n", ofp);
fputs("seq2 ACDEF---KLMNPQRSTVWY\n", ofp);
fputs("seq3 ACDEF...KLMNPQRSTVWY\n", ofp);
fputs("# embedded comments ok\n", ofp);
fputs("seq4 ACDEFGHIKLMNPQRSTVWY\n", ofp);
fputs(" seq5 CDEFGHIKLMNPQRSTVWY\n", ofp);
fputs("#=SS \n", ofp);
fputs("#=SA\n", ofp);
fputs("\n", ofp);
fputs("\n", ofp);
fputs("\n", ofp);
fputs("#=CS\n", ofp);
fputs("#=RF\n", ofp);
fputs("seq1 ACDEFGHIKLMNPQRSTVWY\n", ofp);
fputs("long_name GHIKLMNPQRSTVWY\n", ofp);
fputs("blank_seq_all_gaps \n", ofp);
fputs("seq2 ACDEFGHIKLMNPQRSTVWY\n", ofp);
fputs("seq3 ACDEFGHIKLMNPQRSTVWY\n", ofp);
fputs("seq4 ACDEFGHIKLMNPQRSTVWY\n", ofp);
fputs("seq5 ACDEFGHIKLMNPQRSTVWY\n", ofp);
fputs("#=SS \n", ofp);
fputs("#=SA\n", ofp);
*ret_alphatype = eslAMINO;
*ret_nseq = 7;
*ret_alen = 52;
}
static void
utest_write_good4(FILE *ofp, int *ret_alphatype, int *ret_nseq, int *ret_alen)
{
fputs("# A complicated SELEX example\n", ofp);
fputs("\n", ofp);
fputs("\n", ofp);
fputs("#=RF xxxxxxx xxxx xxxxxx\n", ofp);
fputs("#=CS >>>>+>> ^^^^ <<<<<<\n", ofp);
fputs("28 gGAGUAAGAUAGC AUCA GCAUCUUGUUCC\n", ofp);
fputs("#=SS +++++>>>>>+>> ^^^^ <<<<<<<+++++\n", ofp);
fputs("longname GUUCACC AUCA GGGGAc\n", ofp);
fputs("#=SS >>>>+>> ^^^^ <<<<<<\n", ofp);
fputs("2 AUGGAUGCGCACC AUCA GGGCGUaucuau\n", ofp);
fputs("3 GAUCACC AUCA GGGauc\n", ofp);
fputs("4 GGUCACC AUCA GGGauc\n", ofp);
fputs("5 GGACACC AUCA GGGucu\n", ofp);
fputs("6 CACC AUCA GGG\n", ofp);
fputs("7 GAUCACC AUCA GGGauc\n", ofp);
fputs("8 CUCACC AUCA GGGGG\n", ofp);
fputs("9 AUGCACC AUCA GGGCAU\n", ofp);
fputs("10 CUCACC AUCA GGGGG\n", ofp);
*ret_alphatype = eslRNA;
*ret_nseq = 11;
*ret_alen = 31;
}
static void
utest_goodfile(char *filename, int testnumber, int expected_alphatype, int expected_nseq, int expected_alen)
{
ESL_ALPHABET *abc = NULL;
ESL_MSAFILE *afp = NULL;
ESL_MSA *msa1 = NULL;
ESL_MSA *msa2 = NULL;
char tmpfile1[32] = "esltmpXXXXXX";
char tmpfile2[32] = "esltmpXXXXXX";
FILE *ofp = NULL;
int status;
/* guessing both the format and the alphabet should work: this is a digital open */
if ( (status = esl_msafile_Open(&abc, filename, NULL, eslMSAFILE_UNKNOWN, NULL, &afp)) != eslOK) esl_fatal("selex good file test %d failed: digital open", testnumber);
if (afp->format != eslMSAFILE_SELEX) esl_fatal("selex good file test %d failed: format autodetection", testnumber);
if (abc->type != expected_alphatype) esl_fatal("selex good file test %d failed: alphabet autodetection", testnumber);
/* This is a digital read, using <abc>. */
if ( (status = esl_msafile_selex_Read(afp, &msa1)) != eslOK) esl_fatal("selex good file test %d failed: msa read, digital", testnumber);
if (msa1->nseq != expected_nseq || msa1->alen != expected_alen) esl_fatal("selex good file test %d failed: nseq/alen", testnumber);
if (esl_msa_Validate(msa1, NULL) != eslOK) esl_fatal("selex good file test %d failed: msa1 invalid", testnumber);
esl_msafile_Close(afp);
/* write it back out to a new tmpfile (digital write) */
if ( (status = esl_tmpfile_named(tmpfile1, &ofp)) != eslOK) esl_fatal("selex good file test %d failed: tmpfile creation", testnumber);
if ( (status = esl_msafile_selex_Write(ofp, msa1)) != eslOK) esl_fatal("selex good file test %d failed: msa write, digital", testnumber);
fclose(ofp);
/* now open and read it as text mode, in known format. (We have to pass fmtd now, to deal with the possibility of a nonstandard name width) */
if ( (status = esl_msafile_Open(NULL, tmpfile1, NULL, eslMSAFILE_SELEX, NULL, &afp)) != eslOK) esl_fatal("selex good file test %d failed: text mode open", testnumber);
if ( (status = esl_msafile_selex_Read(afp, &msa2)) != eslOK) esl_fatal("selex good file test %d failed: msa read, text", testnumber);
if (msa2->nseq != expected_nseq || msa2->alen != expected_alen) esl_fatal("selex good file test %d failed: nseq/alen", testnumber);
if (esl_msa_Validate(msa2, NULL) != eslOK) esl_fatal("selex good file test %d failed: msa2 invalid", testnumber);
esl_msafile_Close(afp);
/* write it back out to a new tmpfile (text write) */
if ( (status = esl_tmpfile_named(tmpfile2, &ofp)) != eslOK) esl_fatal("selex good file test %d failed: tmpfile creation", testnumber);
if ( (status = esl_msafile_selex_Write(ofp, msa2)) != eslOK) esl_fatal("selex good file test %d failed: msa write, text", testnumber);
fclose(ofp);
esl_msa_Destroy(msa2);
/* open and read it in digital mode */
if ( (status = esl_msafile_Open(&abc, tmpfile1, NULL, eslMSAFILE_SELEX, NULL, &afp)) != eslOK) esl_fatal("selex good file test %d failed: 2nd digital mode open", testnumber);
if ( (status = esl_msafile_selex_Read(afp, &msa2)) != eslOK) esl_fatal("selex good file test %d failed: 2nd digital msa read", testnumber);
if (esl_msa_Validate(msa2, NULL) != eslOK) esl_fatal("selex good file test %d failed: msa2 invalid", testnumber);
esl_msafile_Close(afp);
/* this msa <msa2> should be identical to <msa1> */
if (esl_msa_Compare(msa1, msa2) != eslOK) esl_fatal("selex good file test %d failed: msa compare", testnumber);
remove(tmpfile1);
remove(tmpfile2);
esl_msa_Destroy(msa1);
esl_msa_Destroy(msa2);
esl_alphabet_Destroy(abc);
}
static void
write_test_msas(FILE *ofp1, FILE *ofp2)
{
fprintf(ofp1, "# selex comments ignored \n");
fprintf(ofp1, "#=RF ..xxxxxxxxxxxxxxxxxxxx\n");
fprintf(ofp1, "seq1 ..acdefghiklmnpqrstvwy\n");
fprintf(ofp1, "seq2 ..acdefghiklmnpqrstv--\n");
fprintf(ofp1, "seq3 aaacdefghiklmnpqrstv--\n");
fprintf(ofp1, "# selex comments ignored \n");
fprintf(ofp1, "seq4 ..acdefghiklmnpqrstvwy\n");
fprintf(ofp1, "\n");
fprintf(ofp1, "#=RF xxxxxxxxxxxxxxxxxxxx..\n");
fprintf(ofp1, "seq1 ACDEFGHIKLMNPQRSTVWY..\n");
fprintf(ofp1, "seq2 ACDEFGHIKLMNPQRSTVWYYY\n");
fprintf(ofp1, "seq3 ACDEFGHIKLMNPQRSTVWY..\n");
fprintf(ofp1, "seq4 ACDEFGHIKLMNPQRSTVWY..\n");
fprintf(ofp1, "\n");
fprintf(ofp2, "# STOCKHOLM 1.0\n");
fprintf(ofp2, "\n");
fprintf(ofp2, "#=GC RF ..xxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxx..\n");
fprintf(ofp2, "seq1 ..acdefghiklmnpqrstvwyACDEFGHIKLMNPQRSTVWY..\n");
fprintf(ofp2, "seq2 ..acdefghiklmnpqrstv--ACDEFGHIKLMNPQRSTVWYYY\n");
fprintf(ofp2, "seq3 aaacdefghiklmnpqrstv--ACDEFGHIKLMNPQRSTVWY..\n");
fprintf(ofp2, "seq4 ..acdefghiklmnpqrstvwyACDEFGHIKLMNPQRSTVWY..\n");
fprintf(ofp2, "//\n");
}
static void
read_test_msas_digital(char *slxfile, char *stkfile)
{
char msg[] = "SELEX msa digital read unit test failed";
ESL_ALPHABET *abc = NULL;
ESL_MSAFILE *afp1 = NULL;
ESL_MSAFILE *afp2 = NULL;
ESL_MSA *msa1, *msa2, *msa3, *msa4;
FILE *slxfp, *stkfp;
char slxfile2[32] = "esltmpslx2XXXXXX";
char stkfile2[32] = "esltmpstk2XXXXXX";
if ( esl_msafile_Open(&abc, slxfile, NULL, eslMSAFILE_SELEX, NULL, &afp1) != eslOK) esl_fatal(msg);
if ( !abc || abc->type != eslAMINO) esl_fatal(msg);
if ( esl_msafile_Open(&abc, stkfile, NULL, eslMSAFILE_STOCKHOLM, NULL, &afp2) != eslOK) esl_fatal(msg);
if ( esl_msafile_selex_Read (afp1, &msa1) != eslOK) esl_fatal(msg);
if ( esl_msafile_stockholm_Read(afp2, &msa2) != eslOK) esl_fatal(msg);
if ( esl_msa_Compare(msa1, msa2) != eslOK) esl_fatal(msg);
if ( esl_msafile_selex_Read (afp1, &msa3) != eslEOF) esl_fatal(msg);
if ( esl_msafile_stockholm_Read(afp2, &msa3) != eslEOF) esl_fatal(msg);
esl_msafile_Close(afp2);
esl_msafile_Close(afp1);
/* Now write stk to selex file, and vice versa; then retest */
if ( esl_tmpfile_named(slxfile2, &slxfp) != eslOK) esl_fatal(msg);
if ( esl_tmpfile_named(stkfile2, &stkfp) != eslOK) esl_fatal(msg);
if ( esl_msafile_selex_Write (slxfp, msa2) != eslOK) esl_fatal(msg);
if ( esl_msafile_stockholm_Write(stkfp, msa1, eslMSAFILE_STOCKHOLM) != eslOK) esl_fatal(msg);
fclose(slxfp);
fclose(stkfp);
if ( esl_msafile_Open(&abc, slxfile2, NULL, eslMSAFILE_SELEX, NULL, &afp1) != eslOK) esl_fatal(msg);
if ( esl_msafile_Open(&abc, stkfile2, NULL, eslMSAFILE_STOCKHOLM, NULL, &afp2) != eslOK) esl_fatal(msg);
if ( esl_msafile_selex_Read (afp1, &msa3) != eslOK) esl_fatal(msg);
if ( esl_msafile_stockholm_Read(afp2, &msa4) != eslOK) esl_fatal(msg);
if ( esl_msa_Compare(msa3, msa4) != eslOK) esl_fatal(msg);
remove(slxfile2);
remove(stkfile2);
esl_msafile_Close(afp2);
esl_msafile_Close(afp1);
esl_msa_Destroy(msa1);
esl_msa_Destroy(msa2);
esl_msa_Destroy(msa3);
esl_msa_Destroy(msa4);
esl_alphabet_Destroy(abc);
}
static void
read_test_msas_text(char *slxfile, char *stkfile)
{
char msg[] = "SELEX msa text-mode read unit test failed";
ESL_MSAFILE *afp1 = NULL;
ESL_MSAFILE *afp2 = NULL;
ESL_MSA *msa1, *msa2, *msa3, *msa4;
FILE *slxfp, *stkfp;
char slxfile2[32] = "esltmpslx2XXXXXX";
char stkfile2[32] = "esltmpstk2XXXXXX";
/* vvvv-- everything's the same as the digital utest except these NULLs */
if ( esl_msafile_Open(NULL, slxfile, NULL, eslMSAFILE_SELEX, NULL, &afp1) != eslOK) esl_fatal(msg);
if ( esl_msafile_Open(NULL, stkfile, NULL, eslMSAFILE_STOCKHOLM, NULL, &afp2) != eslOK) esl_fatal(msg);
if ( esl_msafile_selex_Read (afp1, &msa1) != eslOK) esl_fatal(msg);
if ( esl_msafile_stockholm_Read(afp2, &msa2) != eslOK) esl_fatal(msg);
if ( esl_msa_Compare(msa1, msa2) != eslOK) esl_fatal(msg);
if ( esl_msafile_selex_Read (afp1, &msa3) != eslEOF) esl_fatal(msg);
if ( esl_msafile_stockholm_Read(afp2, &msa3) != eslEOF) esl_fatal(msg);
esl_msafile_Close(afp2);
esl_msafile_Close(afp1);
if ( esl_tmpfile_named(slxfile2, &slxfp) != eslOK) esl_fatal(msg);
if ( esl_tmpfile_named(stkfile2, &stkfp) != eslOK) esl_fatal(msg);
if ( esl_msafile_selex_Write (slxfp, msa2) != eslOK) esl_fatal(msg);
if ( esl_msafile_stockholm_Write(stkfp, msa1, eslMSAFILE_STOCKHOLM) != eslOK) esl_fatal(msg);
fclose(slxfp);
fclose(stkfp);
if ( esl_msafile_Open(NULL, slxfile2, NULL, eslMSAFILE_SELEX, NULL, &afp1) != eslOK) esl_fatal(msg);
if ( esl_msafile_Open(NULL, stkfile2, NULL, eslMSAFILE_STOCKHOLM, NULL, &afp2) != eslOK) esl_fatal(msg);
if ( esl_msafile_selex_Read (afp1, &msa3) != eslOK) esl_fatal(msg);
if ( esl_msafile_stockholm_Read(afp2, &msa4) != eslOK) esl_fatal(msg);
if ( esl_msa_Compare(msa3, msa4) != eslOK) esl_fatal(msg);
remove(slxfile2);
remove(stkfile2);
esl_msafile_Close(afp2);
esl_msafile_Close(afp1);
esl_msa_Destroy(msa1);
esl_msa_Destroy(msa2);
esl_msa_Destroy(msa3);
esl_msa_Destroy(msa4);
}
#endif /*eslMSAFILE_SELEX_TESTDRIVE*/
/*---------------------- end, unit tests ------------------------*/
/*****************************************************************
* 5. Test driver.
*****************************************************************/
#ifdef eslMSAFILE_SELEX_TESTDRIVE
/* compile: gcc -g -Wall -I. -L. -o esl_msafile_selex_utest -DeslMSAFILE_SELEX_TESTDRIVE esl_msafile_selex.c -leasel -lm
* (gcov): gcc -g -Wall -fprofile-arcs -ftest-coverage -I. -L. -o esl_msafile_selex_utest -DeslMSAFILE_SELEX_TESTDRIVE esl_msafile_selex.c -leasel -lm
* run: ./esl_msafile_selex_utest
*/
#include "esl_config.h"
#include <stdio.h>
#include "easel.h"
#include "esl_getopts.h"
#include "esl_random.h"
#include "esl_msafile.h"
#include "esl_msafile_selex.h"
static ESL_OPTIONS options[] = {
/* name type default env range togs reqs incomp help docgrp */
{"-h", eslARG_NONE, FALSE, NULL, NULL, NULL, NULL, NULL, "show help and usage", 0},
{ 0,0,0,0,0,0,0,0,0,0},
};
static char usage[] = "[-options]";
static char banner[] = "test driver for SELEX MSA format module";
int
main(int argc, char **argv)
{
char msg[] = "PSI-BLAST MSA i/o module test driver failed";
ESL_GETOPTS *go = esl_getopts_CreateDefaultApp(options, 0, argc, argv, banner, usage);
char slxfile[32] = "esltmpslxXXXXXX";
char stkfile[32] = "esltmpstkXXXXXX";
FILE *slxfp, *stkfp;
int testnumber;
int ngoodtests = 4;
char tmpfile[32];
FILE *ofp;
int expected_alphatype;
int expected_nseq;
int expected_alen;
if ( esl_tmpfile_named(slxfile, &slxfp) != eslOK) esl_fatal(msg);
if ( esl_tmpfile_named(stkfile, &stkfp) != eslOK) esl_fatal(msg);
write_test_msas(slxfp, stkfp);
fclose(slxfp);
fclose(stkfp);
read_test_msas_digital(slxfile, stkfile);
read_test_msas_text (slxfile, stkfile);
/* Various "good" files that should be parsed correctly */
for (testnumber = 1; testnumber <= ngoodtests; testnumber++)
{
strcpy(tmpfile, "esltmpXXXXXX");
if (esl_tmpfile_named(tmpfile, &ofp) != eslOK) esl_fatal(msg);
switch (testnumber) {
case 1: utest_write_good1 (ofp, &expected_alphatype, &expected_nseq, &expected_alen); break;
case 2: utest_write_good2 (ofp, &expected_alphatype, &expected_nseq, &expected_alen); break;
case 3: utest_write_good3 (ofp, &expected_alphatype, &expected_nseq, &expected_alen); break;
case 4: utest_write_good4 (ofp, &expected_alphatype, &expected_nseq, &expected_alen); break;
}
fclose(ofp);
utest_goodfile(tmpfile, testnumber, expected_alphatype, expected_nseq, expected_alen);
remove(tmpfile);
}
remove(slxfile);
remove(stkfile);
esl_getopts_Destroy(go);
return 0;
}
#endif /*eslMSAFILE_SELEX_TESTDRIVE*/
/*--------------------- end, test driver ------------------------*/
/*****************************************************************
* 6. Examples.
*****************************************************************/
#ifdef eslMSAFILE_SELEX_EXAMPLE
/* A full-featured example of reading/writing an MSA in SELEX format(s).
gcc -g -Wall -o esl_msafile_selex_example -I. -L. -DeslMSAFILE_SELEX_EXAMPLE esl_msafile_selex.c -leasel -lm
./esl_msafile_selex_example <msafile>
*/
/*::cexcerpt::msafile_selex_example::begin::*/
#include <stdio.h>
#include "easel.h"
#include "esl_alphabet.h"
#include "esl_getopts.h"
#include "esl_msa.h"
#include "esl_msafile.h"
#include "esl_msafile_selex.h"
static ESL_OPTIONS options[] = {
/* name type default env range toggles reqs incomp help docgroup*/
{ "-h", eslARG_NONE, FALSE, NULL, NULL, NULL, NULL, NULL, "show brief help on version and usage", 0 },
{ "-1", eslARG_NONE, FALSE, NULL, NULL, NULL, NULL, NULL, "no autodetection; force SELEX format", 0 },
{ "-q", eslARG_NONE, FALSE, NULL, NULL, NULL, NULL, NULL, "quieter: don't write msa back, just summary", 0 },
{ "-t", eslARG_NONE, FALSE, NULL, NULL, NULL, NULL, NULL, "use text mode: no digital alphabet", 0 },
{ "--dna", eslARG_NONE, FALSE, NULL, NULL, NULL, NULL, "-t", "specify that alphabet is DNA", 0 },
{ "--rna", eslARG_NONE, FALSE, NULL, NULL, NULL, NULL, "-t", "specify that alphabet is RNA", 0 },
{ "--amino", eslARG_NONE, FALSE, NULL, NULL, NULL, NULL, "-t", "specify that alphabet is protein", 0 },
{ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 },
};
static char usage[] = "[-options] <msafile>";
static char banner[] = "example of guessing, reading, writing SELEX format";
int
main(int argc, char **argv)
{
ESL_GETOPTS *go = esl_getopts_CreateDefaultApp(options, 1, argc, argv, banner, usage);
char *filename = esl_opt_GetArg(go, 1);
int infmt = eslMSAFILE_UNKNOWN;
ESL_ALPHABET *abc = NULL;
ESL_MSAFILE *afp = NULL;
ESL_MSA *msa = NULL;
int status;
if (esl_opt_GetBoolean(go, "-1")) infmt = eslMSAFILE_SELEX;
if (esl_opt_GetBoolean(go, "--rna")) abc = esl_alphabet_Create(eslRNA);
else if (esl_opt_GetBoolean(go, "--dna")) abc = esl_alphabet_Create(eslDNA);
else if (esl_opt_GetBoolean(go, "--amino")) abc = esl_alphabet_Create(eslAMINO);
/* Text mode: pass NULL for alphabet.
* Digital mode: pass ptr to expected ESL_ALPHABET; and if abc=NULL, alphabet is guessed
*/
if (esl_opt_GetBoolean(go, "-t")) status = esl_msafile_Open(NULL, filename, NULL, infmt, NULL, &afp);
else status = esl_msafile_Open(&abc, filename, NULL, infmt, NULL, &afp);
if (status != eslOK) esl_msafile_OpenFailure(afp, status);
if ( (status = esl_msafile_selex_Read(afp, &msa)) != eslOK)
esl_msafile_ReadFailure(afp, status);
printf("alphabet: %s\n", (abc ? esl_abc_DecodeType(abc->type) : "none (text mode)"));
printf("# of seqs: %d\n", msa->nseq);
printf("# of cols: %d\n", (int) msa->alen);
printf("\n");
if (! esl_opt_GetBoolean(go, "-q"))
esl_msafile_selex_Write(stdout, msa);
esl_msa_Destroy(msa);
esl_msafile_Close(afp);
if (abc) esl_alphabet_Destroy(abc);
esl_getopts_Destroy(go);
exit(0);
}
/*::cexcerpt::msafile_selex_example::end::*/
#endif /*eslMSAFILE_SELEX_EXAMPLE*/
#ifdef eslMSAFILE_SELEX_EXAMPLE2
/* A minimal example. Read SELEX MSA, in text mode.
gcc -g -Wall -o esl_msafile_selex_example2 -I. -L. -DeslMSAFILE_SELEX_EXAMPLE2 esl_msafile_selex.c -leasel -lm
./esl_msafile_selex_example2 <msafile>
*/
/*::cexcerpt::msafile_selex_example2::begin::*/
#include <stdio.h>
#include "easel.h"
#include "esl_msa.h"
#include "esl_msafile.h"
#include "esl_msafile_selex.h"
int
main(int argc, char **argv)
{
char *filename = argv[1];
int fmt = eslMSAFILE_SELEX;
ESL_MSAFILE *afp = NULL;
ESL_MSA *msa = NULL;
int status;
if ( (status = esl_msafile_Open(NULL, filename, NULL, fmt, NULL, &afp)) != eslOK) esl_msafile_OpenFailure(afp, status);
if ( (status = esl_msafile_selex_Read(afp, &msa)) != eslOK) esl_msafile_ReadFailure(afp, status);
printf("%6d seqs, %5d columns\n", msa->nseq, (int) msa->alen);
esl_msafile_selex_Write(stdout, msa);
esl_msa_Destroy(msa);
esl_msafile_Close(afp);
exit(0);
}
/*::cexcerpt::msafile_selex_example2::end::*/
#endif /*eslMSAFILE_SELEX_EXAMPLE2*/
/*--------------------- end of example --------------------------*/
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