Пример #1
0
/**
 * @brief Frees an mseq_t and it's members and zeros all members
 *
 * @param[in] mseq mseq_to to free
 *
 * @note use in conjunction with NewMSeq()
 * @see new_mseq
 */
void
FreeMSeq(mseq_t **mseq)
{
    int i;
    
    if (NULL==(*mseq)) {
        return;
    }
        
	if ((*mseq)->filename) {
        (*mseq)->filename = CKFREE((*mseq)->filename);
    }

    for (i=0; i<(*mseq)->nseqs; i++) {
        FreeSequence((*mseq)->seq[i], &(*mseq)->sqinfo[i]);
        CKFREE((*mseq)->orig_seq[i]);
    }
    if ((*mseq)->seq) {
        CKFREE((*mseq)->seq);
    }
    if ((*mseq)->orig_seq) {  /* FIXME (FS): only ptr to ptr freed, actual sequences NOT freed*/
        CKFREE((*mseq)->orig_seq);
    }
    if ((*mseq)->sqinfo) {
        CKFREE((*mseq)->sqinfo);
    }

	(*mseq)->seqtype = SEQTYPE_UNKNOWN;
	(*mseq)->nseqs = 0;

    CKFREE((*mseq));
}
Пример #2
0
void MusicManager::QueueNextSequence()
{
	FreeSequence( m_NextSequence );

	STATICHASH( NextSequence );
	STATICHASH( NumTransitions );
	STATICHASH( File );
	MAKEHASHFROM( DefinitionName, m_CurrentSequence.m_DefinitionName );

	SimpleString NextSequence = ConfigManager::GetString( sNextSequence, "", sDefinitionName );

	// Try all the mood transitions; if none match, it'll just fall back to NextSequence
	int NumTransitions = ConfigManager::GetInt( sNumTransitions, 0, sDefinitionName );
	for( int i = 0; i < NumTransitions; ++i )
	{
		SimpleString TransitionMood = ConfigManager::GetSequenceString( "TransitionMood%d", i, "", sDefinitionName );
		SimpleString TransitionSequence = ConfigManager::GetSequenceString( "TransitionSeq%d", i, "", sDefinitionName );
		if( TransitionMood == m_Mood )
		{
			NextSequence = TransitionSequence;
			break;
		}
	}

	if( NextSequence != "" )
	{
		SimpleString NextFilename = ConfigManager::GetString( sFile, "", NextSequence );
		if( NextFilename != "" )
		{
			SSoundInit SoundInit;
			SoundInit.m_Filename = NextFilename.CStr();
			SoundInit.m_IsStream = true;
			SoundInit.m_IsLooping = false;
			SoundInit.m_Is3D = false;
			SoundInit.m_Category = "Music";
			SoundInit.m_Priority = ESP_High;

			m_NextSequence.m_Sound = m_AudioSystem->GetSoundManager()->GetSound( SoundInit, NextSequence );
			m_NextSequence.m_Instance = m_NextSequence.m_Sound->CreateSoundInstance();
			m_AudioSystem->AddSoundInstance( m_NextSequence.m_Instance );
			m_NextSequence.m_Instance->Tick();	// Tick to apply all properties in advance
			m_NextSequence.m_DefinitionName = NextSequence;
		}
	}
}
Пример #3
0
/**
 * @brief reads sequences from file
 *
 * @param[out] prMSeq
 * Multiple sequence struct. Must be preallocated.
 * FIXME: would make more sense to allocate it here.
 * @param[in] seqfile
 * Sequence file name. If '-' sequence will be read from stdin.
 * @param[in] iSeqType
 * int-encoded sequence type. Set to
 * SEQTYPE_UNKNOWN for autodetect (guessed from first sequence)
 * @param[in] iMaxNumSeq
 * Return an error, if more than iMaxNumSeq have been read
 * @param[in] iMaxSeqLen
 * Return an error, if a seq longer than iMaxSeqLen has been read
 *
 * @return 0 on success, -1 on error
 *
 * @note
 *  - Depends heavily on squid
 *  - Sequence file format will be guessed
 *  - If supported by squid, gzipped files can be read as well.
 */
int
ReadSequences(mseq_t *prMSeq, char *seqfile,
              int iSeqType, int iSeqFmt, bool bIsProfile, bool bDealignInputSeqs,
              int iMaxNumSeq, int iMaxSeqLen)
{
    SQFILE *dbfp; /* sequence file descriptor */
    char *cur_seq;
    SQINFO cur_sqinfo;
    int iSeqIdx; /* sequence counter */
    int iSeqPos; /* sequence string position counter */

    assert(NULL!=seqfile);


    /* Try to work around inability to autodetect from a pipe or .gz:
     * assume FASTA format
     */
    if (SQFILE_UNKNOWN == iSeqFmt  &&
            (Strparse("^.*\\.gz$", seqfile, 0) || strcmp(seqfile, "-") == 0)) {
        iSeqFmt = SQFILE_FASTA;
    }

    /* Using squid routines to read input. taken from seqstat_main.c. we don't
     * know if input is aligned, so we use SeqfileOpen instead of MSAFileOpen
     * etc. NOTE this also means we discard some information, e.g. when
     * reading from and writing to a stockholm file, all extra MSA
     * info/annotation will be lost.
     *
     */

    if (NULL == (dbfp = SeqfileOpen(seqfile, iSeqFmt, NULL))) {
        Log(&rLog, LOG_ERROR, "Failed to open sequence file %s for reading", seqfile);
        return -1;
    }


    /* FIXME squid's ReadSeq() will exit with fatal error if format is
     * unknown. This will be a problem for a GUI. Same is true for many squid
     * other functions.
     *
     * The original squid:ReadSeq() dealigns sequences on input. We
     * use a patched version.
     *
     */
    while (ReadSeq(dbfp, dbfp->format,
                   &cur_seq,
                   &cur_sqinfo)) {

        if (prMSeq->nseqs+1>iMaxNumSeq) {
            Log(&rLog, LOG_ERROR, "Maximum number of sequences (=%d) exceeded after reading sequence '%s' from '%s'",
                iMaxNumSeq, cur_sqinfo.name, seqfile);
            return -1;
        }
        if ((int)strlen(cur_seq)>iMaxSeqLen) {
            Log(&rLog, LOG_ERROR, "Sequence '%s' has %d residues and is therefore longer than allowed (max. sequence length is %d)",
                cur_sqinfo.name, strlen(cur_seq), iMaxSeqLen);
            return -1;
        }
        if ((int)strlen(cur_seq)==0) {
            Log(&rLog, LOG_ERROR, "Sequence '%s' has 0 residues",
                cur_sqinfo.name);
            return -1;
        }

        /* FIXME: use modified version of AddSeq() that allows handing down SqInfo
         */

        prMSeq->seq =  (char **)
                       CKREALLOC(prMSeq->seq, (prMSeq->nseqs+1) * sizeof(char *));
        prMSeq->seq[prMSeq->nseqs] = CkStrdup(cur_seq);


        prMSeq->sqinfo =  (SQINFO *)
                          CKREALLOC(prMSeq->sqinfo, (prMSeq->nseqs+1) * sizeof(SQINFO));
        SeqinfoCopy(&prMSeq->sqinfo[prMSeq->nseqs], &cur_sqinfo);

#ifdef TRACE
        Log(&rLog, LOG_FORCED_DEBUG, "seq no %d: seq = %s", prMSeq->nseqs, prMSeq->seq[prMSeq->nseqs]);
        LogSqInfo(&prMSeq->sqinfo[prMSeq->nseqs]);
#endif
        /* always guess type from first seq. use squid function and
         * convert value
         */
        if (0 == prMSeq->nseqs) {
            int type = Seqtype(prMSeq->seq[prMSeq->nseqs]);
            switch (type)  {
            case kDNA:
                prMSeq->seqtype = SEQTYPE_DNA;
                break;
            case kRNA:
                prMSeq->seqtype = SEQTYPE_RNA;
                break;
            case kAmino:
                prMSeq->seqtype = SEQTYPE_PROTEIN;
                break;
            case kOtherSeq:
                prMSeq->seqtype = SEQTYPE_UNKNOWN;
                break;
            default:
                Log(&rLog, LOG_FATAL, "Internal error in %s", __FUNCTION__);
            }

            /* override with given sequence type but check with
             * automatically detected type and warn if necessary
             */
            if (SEQTYPE_UNKNOWN != iSeqType) {
                if (prMSeq->seqtype != iSeqType) {
                    Log(&rLog, LOG_WARN, "Overriding automatically determined seq-type %s to %s as requested",
                        SeqTypeToStr(prMSeq->seqtype), SeqTypeToStr(iSeqType));
                    prMSeq->seqtype = iSeqType;
                }
            }
            /* if type could not be determined and was not set return error */
            if (SEQTYPE_UNKNOWN == iSeqType && SEQTYPE_UNKNOWN == prMSeq->seqtype) {
                Log(&rLog, LOG_ERROR, "Couldn't guess sequence type from first sequence");
                FreeSequence(cur_seq, &cur_sqinfo);
                SeqfileClose(dbfp);
                return -1;
            }
        }

        Log(&rLog, LOG_DEBUG, "seq-no %d: type=%s name=%s len=%d seq=%s",
            prMSeq->nseqs, SeqTypeToStr(prMSeq->seqtype),
            prMSeq->sqinfo[prMSeq->nseqs].name, prMSeq->sqinfo[prMSeq->nseqs].len,
            prMSeq->seq[prMSeq->nseqs]);

        /* FIXME IPUAC and/or case conversion? If yes see
         * corresponding squid functions. Special treatment of
         * Stockholm tilde-gaps for ktuple code?
         */

        prMSeq->nseqs++;

        FreeSequence(cur_seq, &cur_sqinfo);
    }
    SeqfileClose(dbfp);

    /*#if ALLOW_ONLY_PROTEIN
        if (SEQTYPE_PROTEIN != prMSeq->seqtype) {
            Log(&rLog, LOG_FATAL, "Sequence type is %s. %s only works on protein.",
                  SeqTypeToStr(prMSeq->seqtype), PACKAGE_NAME);
        }
    #endif*/

    /* Check if sequences are aligned */
    prMSeq->aligned = SeqsAreAligned(prMSeq, bIsProfile, bDealignInputSeqs);


    /* keep original sequence as copy and convert "working" sequence
     *
     */
    prMSeq->orig_seq = (char**) CKMALLOC(prMSeq->nseqs * sizeof(char *));
    for (iSeqIdx=0; iSeqIdx<prMSeq->nseqs; iSeqIdx++) {

        prMSeq->orig_seq[iSeqIdx] = CkStrdup(prMSeq->seq[iSeqIdx]);


        /* convert unknown characters according to set seqtype
         * be conservative, i.e. don't allow any fancy ambiguity
         * characters to make sure that ktuple code etc. works.
         */

        /* first on the fly conversion between DNA and RNA
         */
        if (prMSeq->seqtype==SEQTYPE_DNA)
            ToDNA(prMSeq->seq[iSeqIdx]);
        if (prMSeq->seqtype==SEQTYPE_RNA)
            ToRNA(prMSeq->seq[iSeqIdx]);

        /* then check of each character
         */
        for (iSeqPos=0; iSeqPos<(int)strlen(prMSeq->seq[iSeqIdx]); iSeqPos++) {
            char *res = &(prMSeq->seq[iSeqIdx][iSeqPos]);
            if (isgap(*res))
                continue;

            if (prMSeq->seqtype==SEQTYPE_PROTEIN) {
                if (NULL == strchr(AMINO_ALPHABET, toupper(*res))) {
                    *res = AMINOACID_ANY;
                }
            } else if (prMSeq->seqtype==SEQTYPE_DNA) {
                if (NULL == strchr(DNA_ALPHABET, toupper(*res))) {
                    *res = NUCLEOTIDE_ANY;
                }
            } else if (prMSeq->seqtype==SEQTYPE_RNA) {
                if (NULL == strchr(RNA_ALPHABET, toupper(*res))) {
                    *res = NUCLEOTIDE_ANY;
                }
            }
        }
    }

    /* order in which sequences appear in guide-tree
     * only allocate if different output-order desired */
    prMSeq->tree_order = NULL;

    prMSeq->filename = CkStrdup(seqfile);
    Log(&rLog, LOG_INFO, "Read %d sequences (type: %s) from %s",
        prMSeq->nseqs, SeqTypeToStr(prMSeq->seqtype), prMSeq->filename);

    return 0;
}
Пример #4
0
main (int argc, char ** argv ) 
{
  char     *seqfile;            /* name of sequence file     */
  SQINFO    sqinfo;             /* extra info about sequence */
  SQFILE   *dbfp;		/* open sequence file        */
  int       fmt,ofmt=106;	/* format of seqfile         */
                                /* 106 is PHYLIP format in SQUID */
  char     *seq;		/* sequence                  */
  int       type;		/* kAmino, kDNA, kRNA, or kOtherSeq */
  sequence  * seqs, * cds_seqs;
  sequence  tmp_seqs[2], tmp_cds_seqs[2];
  char  *optname;
  char  *optarg, *t;
  int    optind;
  int    be_quiet;
  int    seqct = 0,cdsct = 0;
  int    min_aln_len      = 0;
  int    do_oneline       = 0;
  char   * output_filename = 0, *submat_file = 0;
  int    showaln = 1;
  int    showheader=1;
  FILE  *ofd, *fd;
  alignment   *cds_aln;
  alignment * opt_alignment = NULL;  /* place for pairwise alignment */

  int    len,i,j, k, jk,ik,aln_count, rc;
  pairwise_distances pwMLdist, pwNGdist;
  int firsttime = 1;
  
  struct timeval tp;

  pwMLdist.N    = make_double_matrix(NUM_PW_SEQS,NUM_PW_SEQS);
  pwMLdist.dN   = make_double_matrix(NUM_PW_SEQS,NUM_PW_SEQS);
  pwMLdist.S    = make_double_matrix(NUM_PW_SEQS,NUM_PW_SEQS);
  pwMLdist.dS   = make_double_matrix(NUM_PW_SEQS,NUM_PW_SEQS);
  pwMLdist.dNdS = make_double_matrix(NUM_PW_SEQS,NUM_PW_SEQS);
  pwMLdist.SEdS = make_double_matrix(NUM_PW_SEQS,NUM_PW_SEQS);
  pwMLdist.SEdN = make_double_matrix(NUM_PW_SEQS,NUM_PW_SEQS);
  pwMLdist.t    = make_double_matrix(NUM_PW_SEQS,NUM_PW_SEQS);
  pwMLdist.kappa= make_double_matrix(NUM_PW_SEQS,NUM_PW_SEQS);

  pwNGdist.dN   = make_double_matrix(NUM_PW_SEQS,NUM_PW_SEQS);
  pwNGdist.dS   = make_double_matrix(NUM_PW_SEQS,NUM_PW_SEQS);
  pwNGdist.dNdS = make_double_matrix(NUM_PW_SEQS,NUM_PW_SEQS);
/*
  pwMLdist.N    = pwMLdist.dN   = pwMLdist.S    = 0;
  pwMLdist.dS   = pwMLdist.dNdS = pwMLdist.SEdS = 0;
  pwMLdist.SEdN = pwMLdist.t    = pwMLdist.kappa= 0;
      
  pwNGdist.dN   = pwNGdist.dS   = pwNGdist.dNdS = 0;
*/

  Alntype = default_aln_type;
  
  /* Command line Parse */
  fmt       = SQFILE_UNKNOWN;	/* default: autodetect format  */
  be_quiet  = FALSE;
  type      =  kOtherSeq;

  /* for our purposes this is only pairwise alignments, but
   * would rather do it correctly in case we move to MSA case 
   */
  
  while (Getopt(argc, argv, OPTIONS, NOPTIONS, usage, 
		&optind, &optname, &optarg))
    {
      if      (strcmp(optname, "--matrix") == 0)  submat_file = optarg; 
      else if (strcmp(optname, "--quiet")   == 0)  be_quiet  = TRUE; 
      else if (strcmp(optname, "--gapopen") == 0)  {
	Gapopen = atoi(optarg); 
	if( Gapopen < 0 ) Gapopen *= -1;
	
      } else if (strcmp(optname, "--gapext")  == 0)  {
	Gapext = atoi(optarg); 
	if( Gapext < 0 ) Gapext *= -1;

      } else if (strcmp(optname, "--informat") == 0) {
	fmt = String2SeqfileFormat(optarg);
	if (fmt == SQFILE_UNKNOWN) 
	  Die("unrecognized sequence file format \"%s\"", optarg);
      } else if (strcmp(optname, "--outformat") == 0) {
	ofmt = String2SeqfileFormat(optarg);
	if (ofmt == SQFILE_UNKNOWN) 
	  Die("unrecognized sequence file format \"%s\"", optarg);
      }  else if( strcmp(optname, "--global") == 0 ) {
	Alntype = global;
      } else if (strcmp(optname, "-h") == 0) {
	puts(usage);
	puts(experts);
        exit(EXIT_SUCCESS);
      } else if ( strcmp(optname, "-v") == 0 ) {
	Verbose = 1;
      } else if ( strcmp(optname, "--gapchar") == 0 ) {
	GapChar = optarg[0];
      }  else if(  strcmp(optname, "--output") == 0 ) {
	output_filename = optarg;	  
      } else if( strcmp(optname, "--showtable" ) == 0  ) {
	showaln = 0;
      } else if( strcmp(optname, "--noheader" ) == 0 ) {
	showheader = 0;
      }      
    }

  if (argc - optind < 1) Die("%s\n", usage);

  if( ! submat_file ) { 
    if( (t = getenv("SUBOPTDIR")) != 0 || 
	(t = getenv("SUBOPT_DIR")) != 0 ) {
      submat_file = calloc(strlen(t) + 24, sizeof(char));
      sprintf(submat_file, "%s/%s",t,Default_submat);
    } else { 
      submat_file = calloc(strlen((void *)Default_submat) + 24, sizeof(char));
      sprintf(submat_file, "../%s",Default_submat);
    }
  }
  /* open matrix */
  fd = fopen(submat_file, "r");
  
  if( ! ParsePAMFile(fd,&ScoringMatrix, &MatrixScale) ) {
    fprintf(stderr, "Cannot parse or open matrix file %s\n",submat_file);
    free(submat_file);
    exit(EXIT_SUCCESS);
  }
  

  if( output_filename && strlen(output_filename) != 1 &&
      output_filename[0] != '-') {      
    ofd = fopen(output_filename,"w");
    if( ! ofd ) {
      fprintf(stderr, "could not open file %s",output_filename);
      goto end;
    }
  } else 
    ofd = stdout;

  while( optind < argc ) {
    seqfile = argv[optind++];
    
    /* Try to work around inability to autodetect from a pipe or .gz:
     * assume FASTA format
     */
    if (fmt == SQFILE_UNKNOWN &&
	(Strparse("^.*\\.gz$", seqfile, 0) || strcmp(seqfile, "-") == 0))
      fmt = SQFILE_FASTA;
    
    if ((dbfp = SeqfileOpen(seqfile, fmt, NULL)) == NULL)
      Die("Failed to open sequence file %s for reading", seqfile);
    
    while (ReadSeq(dbfp, dbfp->format, &seq, &sqinfo))
    { 
      FreeSequence(NULL, &sqinfo);
      seqct++;
    }
    

    cds_seqs = (sequence *)calloc(seqct, sizeof(sequence));
    seqs     = (sequence *)calloc(seqct, sizeof(sequence));
    SeqfileRewind(dbfp);
    seqct=0;

    while (ReadSeq(dbfp, dbfp->format, &seq, &sqinfo))
    {
      sqinfo.type = Seqtype(seq);
      if( sqinfo.type == kDNA || sqinfo.type == kRNA ) {

	seqs[seqct].seqstr = Translate(seq,stdcode1);
	/* Let's remove the last codon if it is a stop codon */	
	len = strlen(seqs[seqct].seqstr);
	if( Verbose ) 
	  fprintf(stderr,"seqct is %d length is %d\n",seqct,
		  len);

	if( seqs[seqct].seqstr[len-1] == '*' ) {
	  seqs[seqct].seqstr[len-1] = '\0';
	  seq[strlen(seq) - 3] = '\0';
	}
	cds_seqs[cdsct].seqstr = seq;
	seqs[seqct].seqname = calloc(strlen(sqinfo.name)+1,sizeof(char));
	cds_seqs[cdsct].seqname = calloc(strlen(sqinfo.name)+1,sizeof(char));
	strcpy(seqs[seqct].seqname,sqinfo.name );
	strcpy(cds_seqs[cdsct].seqname,sqinfo.name);	
	cds_seqs[cdsct].length = sqinfo.len;
	cds_seqs[cdsct].alphabet = ( sqinfo.type == kDNA ) ? dna : rna;
	seqs[seqct].length = strlen(seqs[seqct].seqstr);
	
	seqs[seqct].alphabet = protein;
	cdsct++; seqct++;
      } else {
	fprintf(stderr,"Expect CDS sequences (DNA or RNA) not Protein\n");
	goto end;
      }    
      FreeSequence(NULL, &sqinfo);
      if( Verbose && seqct > 3 ) 
	break;
    }
    
    if( seqct < 2 ) {
      fprintf(stderr,"Must have provided a valid file with at least 2 sequences in it");
      goto end;
    }
    
    for( i=0; i  < seqct; i++ ) {
      for(k=i+1; k < seqct; k++ ) {	
	if( (opt_alignment = (alignment *)calloc(1,sizeof(alignment *))) == NULL) {
	  fprintf(stderr,"Could not allocate memory\n");
	  goto end;
	}

	opt_alignment->msa = NULL;
	rc = optimal_align(&seqs[i],&seqs[k],opt_alignment);
  
	if( rc != 1 ) {
	  fprintf(stderr,"Could not make an optimal alignment\n");
	  goto end;
	} else {
	  tmp_cds_seqs[0] = cds_seqs[i];
	  tmp_cds_seqs[1] = cds_seqs[k];
	  rc = mrtrans(opt_alignment, tmp_cds_seqs, &cds_aln,0);
	  if( rc != 0  ) { 
	    fprintf(stderr, "Could not map the coding sequence to the protein alignemnt for aln %d: %d\n",i,rc);
	    goto end;
	  }
	  if( showaln ) {
	    if( ofmt >= 100 ) {
	      MSAFileWrite(ofd,cds_aln->msa, ofmt,do_oneline);
	    } else { 
	      for(j=0; j < cds_aln->msa->nseq; j++ ) {	
		WriteSeq(ofd, ofmt, 
			 cds_aln->msa->aseq[j],
			 &(cds_aln->sqinfo[j]) );
	      }
	    }	    
	  } else {
	    if( showheader && firsttime ) {
	      fprintf(ofd,"SEQ1\tSEQ2\tSCORE\tdN\tdS\tOMEGA\tN\tS\tkappa\tt\tLENGTH\n");
	      firsttime = 0;
	    }
	    if( do_kaks_yn00(cds_aln->msa, &pwMLdist,&pwNGdist) < 0 ) {
	      fprintf(stderr, "warning: problem with align for %s %s\n",
		      cds_aln->msa->sqname[0], cds_aln->msa->sqname[1]);
	      continue;
	    }

	    for(ik = 0; ik < NUM_PW_SEQS; ik++ ) {	  
	      for( jk = ik+1; jk < NUM_PW_SEQS; jk++ ) {
		fprintf(ofd,"%s\t%s\t%d\t%f\t%f\t%f\t%f\t%f\t%f\t%f\t%d\n",
			cds_aln->sqinfo[ik].name,
			cds_aln->sqinfo[jk].name,
			opt_alignment->score,
			pwMLdist.dN[ik][jk],pwMLdist.dS[ik][jk], 
			pwMLdist.dNdS[ik][jk],
			pwMLdist.N[ik][jk],
			pwMLdist.S[ik][jk],
			pwMLdist.kappa[ik][jk],
			pwMLdist.t[ik][jk],
			opt_alignment->msa->alen);
	      }
	    }  
	  }
	}
	cleanup_alignment(cds_aln);
	cleanup_alignment(opt_alignment); 
      }
    }
  }
  if( ofd && ofd != stdout )
    fclose(ofd);

  end:
  free(submat_file);
  Free2DArray((void **)ScoringMatrix,27);
  for(i =0; i< seqct; i++ ) {
    free(seqs[i].seqstr);
    free(seqs[i].seqname);    
    seqs[i].seqstr = seqs[i].seqname = 0;
  }
  for(i = 0; i < cdsct; i++) {
    free(cds_seqs[i].seqstr);
    free(cds_seqs[i].seqname);    
    cds_seqs[i].seqstr = cds_seqs[i].seqname = 0;
  }
  
  cleanup_matrix((void **)pwMLdist.N,NUM_PW_SEQS);
  cleanup_matrix((void **)pwMLdist.dN,NUM_PW_SEQS);
  cleanup_matrix((void **)pwMLdist.S,NUM_PW_SEQS);
  
  cleanup_matrix((void **)pwMLdist.dS,NUM_PW_SEQS);

  cleanup_matrix((void **)pwMLdist.SEdS,NUM_PW_SEQS);
  cleanup_matrix((void **)pwMLdist.SEdN,NUM_PW_SEQS);
  cleanup_matrix((void **)pwMLdist.t,NUM_PW_SEQS);
  cleanup_matrix((void **)pwMLdist.dNdS,NUM_PW_SEQS);
  cleanup_matrix((void **)pwMLdist.kappa,NUM_PW_SEQS);

  cleanup_matrix((void **)pwNGdist.dN,NUM_PW_SEQS);
  cleanup_matrix((void **)pwNGdist.dS,NUM_PW_SEQS);
  cleanup_matrix((void **)pwNGdist.dNdS,NUM_PW_SEQS);


  free(pwNGdist.dNdS);
  free(pwNGdist.dN);
  free(pwNGdist.dS);

  free(pwMLdist.dNdS);
  free(pwMLdist.dN);
  free(pwMLdist.dS);
  free(pwMLdist.N);
  free(pwMLdist.S);
  free(pwMLdist.SEdS);
  free(pwMLdist.SEdN);
  free(pwMLdist.t);
  free(pwMLdist.kappa);
  
  return 0;
}
Пример #5
0
/*free the resources with this FastaSequence*/
void CloseFastaSequence(FastaSequence* sp)
{
	FreeSequence(&sp);
}
Пример #6
0
int main(int argc, char **argv) 
{
  const char      *hmmfile;	/* file to read HMMs from                  */
  HMMFILE         *hmmfp;       /* opened hmmfile for reading              */
  const char      *seqfile;     /* file to read target sequence from       */ 
  char           **rseq;        /* raw, unaligned sequences                */ 
  SQINFO          *sqinfo;      /* info associated with sequences          */
  char           **dsq;         /* digitized raw sequences                 */
  int              nseq;        /* number of sequences                     */  
  char           **aseq;        /* aligned sequences                       */
  AINFO            ainfo;       /* alignment information                   */
  float           *wgt;         /* per-sequence weights                    */
  int              i;
  struct plan7_s    *hmm;       /* HMM to align to                         */ 
  struct p7trace_s **tr;        /* traces for aligned sequences            */

  int   be_quiet;		/* TRUE to suppress verbose banner          */
  int   matchonly;		/* TRUE to show only match state syms       */
  const char *outfile;          /* optional alignment output file           */
  FILE *ofp;                    /* handle on alignment output file          */
  AjPFile ajwithali;          /* name of additional alignment file to align */
  AjPFile ajmapali;           /* name of additional alignment file to map   */
  AjBool ajmatch=ajFalse;
  AjPFile outf=NULL;
  AjPStr  outfname=NULL;
  AjPFile inf=NULL;
  AjPStr  infname=NULL;
  AjPSeqset seqset=NULL;
  AjPStr  ajseqfile=NULL;
  char*  mapali=NULL;
  char*  withali=NULL;
  
#ifdef MEMDEBUG
  unsigned long histid1, histid2, orig_size, current_size;
  orig_size = malloc_inuse(&histid1);
  fprintf(stderr, "[... memory debugging is ON ...]\n");
#endif

  /*********************************************** 
   * Parse command line
   ***********************************************/
  
  matchonly = FALSE;
  outfile   = NULL;
  be_quiet  = FALSE;
  withali   = NULL;
  mapali    = NULL;

  embInitPV("ohmmalign",argc,argv,"HMMER",VERSION);

  ajmatch = ajAcdGetBoolean("matchonly");
  if(ajmatch)
      matchonly=TRUE;
  else
      matchonly=FALSE;



  ajmapali = ajAcdGetInfile("mapalifile");
  if (ajmapali)
      mapali = ajCharNewS(ajFileGetNameS(ajmapali));
  ajFileClose(&ajmapali);
  ajwithali = ajAcdGetInfile("withalifile");
  if (ajwithali)
      withali = ajCharNewS(ajFileGetNameS(ajwithali));
  ajFileClose(&ajwithali);

  be_quiet=TRUE;



  outf = ajAcdGetOutfile("outfile");
  outfname = ajStrNewC((char *)ajFileGetNameC(outf));
  if(*ajStrGetPtr(outfname)>31)
      ajFileClose(&outf);
  outfile = ajStrGetPtr(outfname);

  inf = ajAcdGetInfile("hmmfile");
  infname = ajStrNewC((char *)ajFileGetNameC(inf));
  ajFileClose(&inf);
  hmmfile = ajStrGetPtr(infname);

  
  seqset = ajAcdGetSeqset("sequences");
  ajseqfile = ajStrNewC(ajStrGetPtr(seqset->Filename));
  seqfile = ajStrGetPtr(ajseqfile);
  

 /*********************************************** 
  * Open HMM file (might be in HMMERDB or current directory).
  * Read a single HMM from it.
  * 
  * Currently hmmalign disallows the J state and
  * only allows one domain per sequence. To preserve
  * the S/W entry information, the J state is explicitly
  * disallowed, rather than calling a Plan7*Config() function.
  * this is a workaround in 2.1 for the 2.0.x "yo!" bug.
  ***********************************************/

  if ((hmmfp = HMMFileOpen(hmmfile, "HMMERDB")) == NULL)
    ajFatal("Failed to open HMM file %s\n", hmmfile);
  if (!HMMFileRead(hmmfp, &hmm)) 
    ajFatal("Failed to read any HMMs from %s\n", hmmfile);
  HMMFileClose(hmmfp);
  if (hmm == NULL) 
    ajFatal("HMM file %s corrupt or in incorrect format? Parse failed", hmmfile);
  hmm->xt[XTE][MOVE] = 1.;	      /* only 1 domain/sequence ("global" alignment) */
  hmm->xt[XTE][LOOP] = 0.;
  P7Logoddsify(hmm, TRUE);
				/* do we have the map we might need? */
  if (mapali != NULL && ! (hmm->flags & PLAN7_MAP))
    ajFatal("HMMER: HMM file %s has no map; you can't use --mapali.", hmmfile);

  /*********************************************** 
   * Open sequence file in current directory.
   * Read all seqs from it.
   ***********************************************/
/*
  if (! SeqfileFormat(seqfile, &format, NULL))
    switch (squid_errno) {
    case SQERR_NOFILE: 
      ajFatal("Sequence file %s could not be opened for reading", seqfile);
    case SQERR_FORMAT: 
    default:           
      ajFatal("Failed to determine format of sequence file %s", seqfile);
    }
  if (! ReadMultipleRseqs(seqfile, format, &rseq, &sqinfo, &nseq))
    ajFatal("Failed to read any sequences from file %s", seqfile);
*/

  emboss_rseqs(seqset,&rseq,&sqinfo,&nseq);

  /*********************************************** 
   * Show the banner
   ***********************************************/

  be_quiet=TRUE;
  if (! be_quiet) 
    {
/*      Banner(stdout, banner); */
      printf(   "HMM file:             %s\n", hmmfile);
      printf(   "Sequence file:        %s\n", seqfile);
      printf("- - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -\n\n");
    }

  /*********************************************** 
   * Do the work
   ***********************************************/

  /* Allocations and initializations.
   */
  dsq = MallocOrDie(sizeof(char *) * nseq);
  tr  = MallocOrDie(sizeof(struct p7trace_s *) * nseq);

  /* Align each sequence to the model, collect traces
   */
  for (i = 0; i < nseq; i++)
    {
      dsq[i] = DigitizeSequence(rseq[i], sqinfo[i].len);

      if (P7ViterbiSize(sqinfo[i].len, hmm->M) <= RAMLIMIT)
	(void) P7Viterbi(dsq[i], sqinfo[i].len, hmm, &(tr[i]));
      else
	(void) P7SmallViterbi(dsq[i], sqinfo[i].len, hmm, &(tr[i]));
    }

  /* Include an aligned alignment, if desired.
   */
  if (mapali != NULL)
    include_alignment(mapali, hmm, TRUE, &rseq, &dsq, &sqinfo, &tr, &nseq);
  if (withali != NULL) 
    include_alignment(withali, hmm, FALSE, &rseq, &dsq, &sqinfo, &tr, &nseq);

  /* Turn traces into a multiple alignment
   */ 
  wgt = MallocOrDie(sizeof(float) * nseq);
  FSet(wgt, nseq, 1.0);
  P7Traces2Alignment(dsq, sqinfo, wgt, nseq, hmm->M, tr, matchonly,
		     &aseq, &ainfo);

  /*********************************************** 
   * Output the alignment
   ***********************************************/

  if (outfile != NULL && (ofp = fopen(outfile, "w")) != NULL)
    {
      WriteSELEX(ofp, aseq, &ainfo, 50);
      printf("Alignment saved in file %s\n", outfile);
      fclose(ofp);
    }
  else
    WriteSELEX(stdout, aseq, &ainfo, 50);

  /*********************************************** 
   * Cleanup and exit
   ***********************************************/
  
  for (i = 0; i < nseq; i++) 
    {
      P7FreeTrace(tr[i]);
      FreeSequence(rseq[i], &(sqinfo[i]));
      free(dsq[i]);
    }
  FreeAlignment(aseq, &ainfo);
  FreePlan7(hmm);
  free(sqinfo);
  free(rseq);
  free(dsq);
  free(wgt);
  free(tr);

  SqdClean();

  ajStrDel(&outfname);
  ajStrDel(&infname);
  ajStrDel(&ajseqfile);
  

#ifdef MEMDEBUG
  current_size = malloc_inuse(&histid2);
  if (current_size != orig_size) malloc_list(2, histid1, histid2);
  else fprintf(stderr, "[No memory leaks.]\n");
#endif

  ajSeqsetDel(&seqset);
  ajFileClose(&ajwithali);
  ajFileClose(&ajmapali);

  embExit();
  
  return 0;
}
Пример #7
0
void MusicManager::Flush()
{
	FreeSequence( m_CurrentSequence );
	FreeSequence( m_NextSequence );
}