예제 #1
0
int
main(int argc, char **argv)
{
  int status;
  ESL_RANDOMNESS  *r   = esl_randomness_CreateTimeseeded();
  ESL_ALPHABET    *abc = esl_alphabet_Create(eslAMINO);
  ESL_SCOREMATRIX *S   = NULL;
  ESL_DSQ         *x   = NULL;	/* iid query */
  ESL_DSQ         *y   = NULL;	/* iid target */
  double    lambda;
  double    bg[20];		/* iid background probabilities */
  int       L;			/* query length */
  int       M;			/* target length */
  int       nseq;		/* number of target seqs to simulate */
  int       i;
  int       gop; 
  int       gex;
  char     *mxfile     = "PMX";
  int       raw_sc;

  /* Configuration 
   */
  L = 400;			/* query length */
  M = 400;			/* target length */
  nseq = 50000;
  gop = -11;
  gex = -1;
  lambda = 0.3207;

  ESL_ALLOC(x, sizeof(ESL_DSQ) * (L+2));
  ESL_ALLOC(y, sizeof(ESL_DSQ) * (M+2));

  /* Input an amino acid score matrix from a file. */
  if (mxfile != NULL) {
    ESL_FILEPARSER  *efp = NULL;
    if ( esl_fileparser_Open(mxfile, &efp)  != eslOK) esl_fatal("failed to open score file %s", mxfile);
    if ( esl_sco_Read(efp, abc, &S)         != eslOK) esl_fatal("failed to read matrix from %s", mxfile);
    esl_fileparser_Close(efp);
  } else {			/* default = BLOSUM62 */
    S = esl_scorematrix_Create(abc);
    esl_scorematrix_SetBLOSUM62(S);
  }
  esl_composition_BL62(bg);

  esl_rsq_xIID(r, bg, 20, L, x);
  
  for (i = 0; i < nseq; i++)
    {
      esl_rsq_xIID(r, bg, 20, M, y);
      esl_swat_Score(x, L, y, M, S, gop, gex, &raw_sc);
      printf("%d\n", raw_sc);
    }
  
  free(x);
  free(y);
  esl_scorematrix_Destroy(S);
  esl_alphabet_Destroy(abc);
  esl_randomness_Destroy(r);
  exit(0);

 ERROR:
  exit(status);
}
예제 #2
0
int 
main(int argc, char **argv)
{
  ESL_GETOPTS    *go      = p7_CreateDefaultApp(options, 2, argc, argv, banner, usage);
  ESL_ALPHABET   *abc     = esl_alphabet_Create(eslAMINO);
  char           *qfile   = esl_opt_GetArg(go, 1);
  char           *tfile   = esl_opt_GetArg(go, 2);
  ESL_SQFILE     *qfp     = NULL;
  ESL_SQFILE     *tfp     = NULL;
  ESL_SQ         *qsq     = esl_sq_CreateDigital(abc);
  ESL_SQ         *tsq     = esl_sq_CreateDigital(abc);
  ESL_SCOREMATRIX *S      = esl_scorematrix_Create(abc);
  ESL_DMATRIX     *Q      = NULL;
  P7_BG           *bg     = p7_bg_Create(abc);
  P7_HMM          *hmm    = NULL;
  P7_PROFILE      *gm     = NULL;
  P7_REFMX        *vit    = p7_refmx_Create(200, 400); /* will grow as needed */
  double          *fa     = malloc(sizeof(double) * abc->K);
  double          popen   = 0.02;
  double          pextend = 0.4;
  double          lambda;
  float           vsc;
  float           nullsc;
  int             status;

  esl_composition_BL62(fa);
  esl_vec_D2F(fa, abc->K, bg->f);
  esl_scorematrix_Set("BLOSUM62", S);
  esl_scorematrix_ProbifyGivenBG(S, fa, fa, &lambda, &Q); 
  esl_scorematrix_JointToConditionalOnQuery(abc, Q);

  if (esl_sqfile_OpenDigital(abc, qfile, eslSQFILE_UNKNOWN, NULL, &qfp) != eslOK) esl_fatal("failed to open %s", qfile);
  if (esl_sqio_Read(qfp, qsq) != eslOK) esl_fatal("failed to read query seq");

  p7_Seqmodel(abc, qsq->dsq, qsq->n, qsq->name, Q, bg->f, popen, pextend, &hmm);  
  p7_hmm_SetComposition(hmm);
  p7_hmm_SetConsensus(hmm, qsq); 
  
  gm = p7_profile_Create(hmm->M, abc);
  p7_profile_ConfigUnilocal(gm, hmm, bg, 400);
  
  if (esl_sqfile_OpenDigital(abc, tfile, eslSQFILE_UNKNOWN, NULL, &tfp) != eslOK) esl_fatal("failed to open %s", tfile);
  while ((status = esl_sqio_Read(tfp, tsq)) == eslOK)
    {
      p7_bg_SetLength     (bg, tsq->n);
      p7_profile_SetLength(gm, tsq->n);
      
      p7_ReferenceViterbi(tsq->dsq, tsq->n, gm, vit, NULL, &vsc);    
      p7_bg_NullOne(bg, tsq->dsq, tsq->n, &nullsc);

      printf("%.4f %-25s %-25s\n", (vsc - nullsc) / eslCONST_LOG2, tsq->name, gm->name);
   
      esl_sq_Reuse(tsq);
      p7_refmx_Reuse(vit);
    }
  
  p7_refmx_Destroy(vit);
  p7_profile_Destroy(gm);
  p7_hmm_Destroy(hmm);
  p7_bg_Destroy(bg);
  esl_dmatrix_Destroy(Q);
  esl_scorematrix_Destroy(S);
  free(fa);
  esl_sq_Destroy(qsq);
  esl_sq_Destroy(tsq);
  esl_sqfile_Close(qfp);
  esl_sqfile_Close(tfp);
  esl_alphabet_Destroy(abc);
  esl_getopts_Destroy(go);
  return 0;
}