int
main(int argc, char **argv)
{
char *msg = "p7_gmx unit test driver failed";
ESL_GETOPTS *go = p7_CreateDefaultApp(options, 0, argc, argv, banner, usage);
ESL_RANDOMNESS *r = esl_randomness_CreateFast(esl_opt_GetInteger(go, "-s"));
ESL_ALPHABET *abc = esl_alphabet_Create(eslAMINO);
P7_BG *bg = p7_bg_Create(abc);
P7_HMM *hmm = NULL;
P7_PROFILE *gm = NULL;
int M = esl_opt_GetInteger(go, "-M");
int L = esl_opt_GetInteger(go, "-L");
float tol = esl_opt_GetReal (go, "-t");
p7_FLogsumInit();
if (p7_hmm_Sample(r, M, abc, &hmm) != eslOK) esl_fatal(msg);
if ((gm = p7_profile_Create(hmm->M, abc)) == NULL) esl_fatal(msg);
if (p7_bg_SetLength(bg, L) != eslOK) esl_fatal(msg);
if (p7_ProfileConfig(hmm, bg, gm, L, p7_UNILOCAL) != eslOK) esl_fatal(msg);
utest_GrowTo();
utest_Compare(r, gm, bg, L, tol);
esl_getopts_Destroy(go);
esl_randomness_Destroy(r);
esl_alphabet_Destroy(abc);
p7_bg_Destroy(bg);
p7_hmm_Destroy(hmm);
p7_profile_Destroy(gm);
return eslOK;
}
/*
* compare to GForward() scores.
*/
static void
utest_fwdback(ESL_RANDOMNESS *r, ESL_ALPHABET *abc, P7_BG *bg, int M, int L, int N)
{
char *msg = "forward/backward unit test failed";
P7_HMM *hmm = NULL;
P7_PROFILE *gm = NULL;
P7_OPROFILE *om = NULL;
ESL_DSQ *dsq = malloc(sizeof(ESL_DSQ) * (L+2));
P7_OMX *fwd = p7_omx_Create(M, 0, L);
P7_OMX *bck = p7_omx_Create(M, 0, L);
P7_OMX *oxf = p7_omx_Create(M, L, L);
P7_OMX *oxb = p7_omx_Create(M, L, L);
P7_GMX *gx = p7_gmx_Create(M, L);
float tolerance;
float fsc1, fsc2;
float bsc1, bsc2;
float generic_sc;
p7_FLogsumInit();
if (p7_FLogsumError(-0.4, -0.5) > 0.0001) tolerance = 1.0; /* weaker test against GForward() */
else tolerance = 0.0001; /* stronger test: FLogsum() is in slow exact mode. */
p7_oprofile_Sample(r, abc, bg, M, L, &hmm, &gm, &om);
while (N--)
{
esl_rsq_xfIID(r, bg->f, abc->K, L, dsq);
p7_Forward (dsq, L, om, oxf, &fsc1);
p7_Backward (dsq, L, om, oxf, oxb, &bsc1);
p7_ForwardParser (dsq, L, om, fwd, &fsc2);
p7_BackwardParser(dsq, L, om, fwd, bck, &bsc2);
p7_GForward (dsq, L, gm, gx, &generic_sc);
/* Forward and Backward scores should agree with high tolerance */
if (fabs(fsc1-bsc1) > 0.0001) esl_fatal(msg);
if (fabs(fsc2-bsc2) > 0.0001) esl_fatal(msg);
if (fabs(fsc1-fsc2) > 0.0001) esl_fatal(msg);
/* GForward scores should approximate Forward scores,
* with tolerance that depends on how logsum.c was compiled
*/
if (fabs(fsc1-generic_sc) > tolerance) esl_fatal(msg);
}
free(dsq);
p7_hmm_Destroy(hmm);
p7_omx_Destroy(oxb);
p7_omx_Destroy(oxf);
p7_omx_Destroy(bck);
p7_omx_Destroy(fwd);
p7_gmx_Destroy(gx);
p7_profile_Destroy(gm);
p7_oprofile_Destroy(om);
}
int
main(int argc, char **argv)
{
ESL_GETOPTS *go = p7_CreateDefaultApp(options, 0, argc, argv, banner, usage);
ESL_RANDOMNESS *r = esl_randomness_CreateFast(esl_opt_GetInteger(go, "-s"));
ESL_STOPWATCH *w = esl_stopwatch_Create();
int N = esl_opt_GetInteger(go, "-N");
int i;
float *A, *B, *C;
p7_FLogsumInit();
/* Create the problem: sample N values A,B on interval -1000,1000: about the range of H3 scores */
A = malloc(sizeof(float) * N);
B = malloc(sizeof(float) * N);
C = malloc(sizeof(float) * N);
for (i = 0; i < N; i++)
{
A[i] = esl_random(r) * 2000. - 1000.;
B[i] = esl_random(r) * 2000. - 1000.;
}
/* Run */
esl_stopwatch_Start(w);
if (esl_opt_GetBoolean(go, "-n"))
{
for (i = 0; i < N; i++)
C[i] = naive2(A[i], B[i]);
}
else if (esl_opt_GetBoolean(go, "-r"))
{
for (i = 0; i < N; i++)
C[i] = naive1(A[i], B[i]);
}
else
{
for (i = 0; i < N; i++)
C[i] = p7_FLogsum(A[i], B[i]);
}
esl_stopwatch_Stop(w);
esl_stopwatch_Display(stdout, w, "# CPU time: ");
esl_stopwatch_Destroy(w);
esl_randomness_Destroy(r);
esl_getopts_Destroy(go);
return 0;
}
int
main(int argc, char **argv)
{
ESL_GETOPTS *go = p7_CreateDefaultApp(options, 0, argc, argv, banner, usage);
ESL_RANDOMNESS *r = esl_randomness_CreateFast(esl_opt_GetInteger(go, "-s"));
p7_FLogsumInit();
utest_FLogsumError(go, r);
utest_FLogsumSpecials();
esl_randomness_Destroy(r);
esl_getopts_Destroy(go);
return eslOK;
}
int
main(int argc, char **argv)
{
float a = atof(argv[1]);
float b = atof(argv[2]);
float result;
p7_FLogsumInit();
result = p7_FLogsum(a, b);
printf("p7_FLogsum(%f,%f) = %f\n", a, b, result);
result = log(exp(a) + exp(b));
printf("log(e^%f + e^%f) = %f\n", a, b, result);
printf("Absolute error in probability: %f\n", p7_FLogsumError(a,b));
return eslOK;
}
int
main(int argc, char **argv)
{
ESL_GETOPTS *go = p7_CreateDefaultApp(options, 0, argc, argv, banner, usage);
ESL_RANDOMNESS *r = esl_randomness_CreateFast(esl_opt_GetInteger(go, "-s"));
ESL_ALPHABET *abc = esl_alphabet_Create(eslAMINO);
P7_HMM *hmm = NULL;
P7_BG *bg = NULL;
P7_PROFILE *gm = NULL;
P7_GMX *fwd = NULL;
P7_GMX *bck = NULL;
ESL_DSQ *dsq = NULL;
int M = esl_opt_GetInteger(go, "-M");
int L = esl_opt_GetInteger(go, "-L");
/* Sample a random HMM */
p7_hmm_Sample(r, M, abc, &hmm);
/* Configure a profile from the sampled HMM */
bg = p7_bg_Create(abc);
p7_bg_SetLength(bg, L);
gm = p7_profile_Create(hmm->M, abc);
p7_ProfileConfig(hmm, bg, gm, L, p7_LOCAL);
/* Other initial allocations */
dsq = malloc(sizeof(ESL_DSQ) * (L+2));
fwd = p7_gmx_Create(gm->M, L);
bck = p7_gmx_Create(gm->M, L);
p7_FLogsumInit();
utest_correct_normalization(r, gm, bg, dsq, L, fwd, bck);
free(dsq);
p7_gmx_Destroy(fwd);
p7_gmx_Destroy(bck);
p7_profile_Destroy(gm);
p7_bg_Destroy(bg);
p7_hmm_Destroy(hmm);
esl_alphabet_Destroy(abc);
esl_randomness_Destroy(r);
esl_getopts_Destroy(go);
return 0;
}
int
main(int argc, char **argv)
{
ESL_GETOPTS *go = NULL;
struct cfg_s cfg;
int status = eslOK;
impl_Init(); /* processor specific initialization */
p7_FLogsumInit(); /* we're going to use table-driven Logsum() approximations at times */
/* Initialize what we can in the config structure (without knowing the alphabet yet)
*/
cfg.hmmfile = NULL;
cfg.dbfile = NULL;
cfg.do_mpi = FALSE; /* this gets reset below, if we init MPI */
cfg.nproc = 0; /* this gets reset below, if we init MPI */
cfg.my_rank = 0; /* this gets reset below, if we init MPI */
cfg.firstseq_key = NULL;
cfg.n_targetseq = -1;
process_commandline(argc, argv, &go, &cfg.hmmfile, &cfg.dbfile);
/* is the range restricted? */
if (esl_opt_IsUsed(go, "--restrictdb_stkey") )
if ((cfg.firstseq_key = esl_opt_GetString(go, "--restrictdb_stkey")) == NULL) p7_Fail("Failure capturing --restrictdb_stkey\n");
if (esl_opt_IsUsed(go, "--restrictdb_n") )
cfg.n_targetseq = esl_opt_GetInteger(go, "--restrictdb_n");
if ( cfg.n_targetseq != -1 && cfg.n_targetseq < 1 )
p7_Fail("--restrictdb_n must be >= 1\n");
{
status = serial_master(go, &cfg);
}
esl_getopts_Destroy(go);
return status;
}
void
worker_process(ESL_GETOPTS *go)
{
HMMD_COMMAND *cmd = NULL; /* see hmmpgmd.h */
int shutdown = 0;
WORKER_ENV env;
int status;
/* Initializations */
impl_Init();
p7_FLogsumInit(); /* we're going to use table-driven Logsum() approximations at times */
if (esl_opt_IsOn(go, "--cpu")) env.ncpus = esl_opt_GetInteger(go, "--cpu");
else esl_threads_CPUCount(&env.ncpus);
env.hmm_db = NULL;
env.seq_db = NULL;
env.fd = setup_masterside_comm(go);
while (!shutdown)
{
if ((status = read_Command(&cmd, &env)) != eslOK) break;
switch (cmd->hdr.command) {
case HMMD_CMD_INIT: process_InitCmd (cmd, &env); break;
case HMMD_CMD_SCAN: process_SearchCmd(cmd, &env); break;
case HMMD_CMD_SEARCH: process_SearchCmd(cmd, &env); break;
case HMMD_CMD_SHUTDOWN: process_Shutdown (cmd, &env); shutdown = 1; break;
default: p7_syslog(LOG_ERR,"[%s:%d] - unknown command %d (%d)\n", __FILE__, __LINE__, cmd->hdr.command, cmd->hdr.length);
}
free(cmd);
cmd = NULL;
}
if (env.hmm_db) p7_hmmcache_Close(env.hmm_db);
if (env.seq_db) p7_seqcache_Close(env.seq_db);
if (env.fd != -1) close(env.fd);
return;
}
int
main(int argc, char **argv)
{
ESL_GETOPTS *go = esl_getopts_CreateDefaultApp(options, 0, argc, argv, banner, usage);
ESL_RANDOMNESS *r = esl_randomness_CreateFast(esl_opt_GetInteger(go, "-s"));
ESL_ALPHABET *abc = esl_alphabet_Create(eslAMINO);
P7_BG *bg = p7_bg_Create(abc);
int M = esl_opt_GetInteger(go, "-M");
int L = esl_opt_GetInteger(go, "-L");
int N = esl_opt_GetInteger(go, "-N");
float tol = esl_opt_GetReal (go, "-t");
p7_FLogsumInit();
utest_decoding(r, abc, bg, M, L, N, tol);
esl_getopts_Destroy(go);
esl_randomness_Destroy(r);
esl_alphabet_Destroy(abc);
p7_bg_Destroy(bg);
return eslOK;
}
int
main(int argc, char **argv)
{
ESL_GETOPTS *go = NULL;
struct cfg_s cfg;
int status = eslOK;
impl_Init(); /* processor-specific initialization */
p7_FLogsumInit(); /* we're going to use table-driven Logsum() approximations at times */
/* Initialize what we can in the config structure (without knowing the alphabet yet) */
cfg.hmmfile = NULL;
cfg.seqfile = NULL;
cfg.do_mpi = FALSE; /* this gets reset below, if we init MPI */
cfg.nproc = 0; /* this gets reset below, if we init MPI */
cfg.my_rank = 0; /* this gets reset below, if we init MPI */
process_commandline(argc, argv, &go, &cfg.hmmfile, &cfg.seqfile);
status = serial_master(go, &cfg);
esl_getopts_Destroy(go);
return status;
}
int
main(int argc, char **argv)
{
ESL_GETOPTS *go = p7_CreateDefaultApp(options, 0, argc, argv, banner, usage);
ESL_RANDOMNESS *r = esl_randomness_CreateFast(esl_opt_GetInteger(go, "-s"));
ESL_ALPHABET *abc = NULL;
P7_HMM *hmm = NULL;
P7_PROFILE *gm = NULL;
P7_BG *bg = NULL;
int M = 100;
int L = 200;
int nseq = 20;
char errbuf[eslERRBUFSIZE];
p7_FLogsumInit();
if ((abc = esl_alphabet_Create(eslAMINO)) == NULL) esl_fatal("failed to create alphabet");
if (p7_hmm_Sample(r, M, abc, &hmm) != eslOK) esl_fatal("failed to sample an HMM");
if ((bg = p7_bg_Create(abc)) == NULL) esl_fatal("failed to create null model");
if ((gm = p7_profile_Create(hmm->M, abc)) == NULL) esl_fatal("failed to create profile");
if (p7_ProfileConfig(hmm, bg, gm, L, p7_LOCAL) != eslOK) esl_fatal("failed to config profile");
if (p7_hmm_Validate (hmm, errbuf, 0.0001) != eslOK) esl_fatal("whoops, HMM is bad!: %s", errbuf);
if (p7_profile_Validate(gm, errbuf, 0.0001) != eslOK) esl_fatal("whoops, profile is bad!: %s", errbuf);
utest_forward (go, r, abc, bg, gm, nseq, L);
utest_generation (go, r, abc, gm, hmm, bg, nseq);
utest_enumeration(go, r, abc, 4); /* can't go much higher than 5; enumeration test is cpu-intensive. */
p7_profile_Destroy(gm);
p7_bg_Destroy(bg);
p7_hmm_Destroy(hmm);
esl_alphabet_Destroy(abc);
esl_randomness_Destroy(r);
esl_getopts_Destroy(go);
return 0;
}
/* Function: p7_GBackward()
* Synopsis: The Backward algorithm.
* Incept: SRE, Fri Dec 28 14:31:58 2007 [Janelia]
*
* Purpose: The Backward dynamic programming algorithm.
*
* Given a digital sequence <dsq> of length <L>, a profile
* <gm>, and DP matrix <gx> allocated for at least <gm->M>
* by <L> cells; calculate the probability of the sequence
* given the model using the Backward algorithm; return the
* Backward matrix in <gx>, and the Backward score in <ret_sc>.
*
* The Backward score is in lod score form. To convert to a
* bitscore, the caller needs to subtract a null model lod
* score, then convert to bits.
*
* Args: dsq - sequence in digitized form, 1..L
* L - length of dsq
* gm - profile
* gx - DP matrix with room for an MxL alignment
* opt_sc - optRETURN: Backward lod score in nats
*
* Return: <eslOK> on success.
*/
int
p7_GBackward(const ESL_DSQ *dsq, int L, const P7_PROFILE *gm, P7_GMX *gx, float *opt_sc)
{
float const *tsc = gm->tsc;
float const *rsc = NULL;
float **dp = gx->dp;
float *xmx = gx->xmx;
int M = gm->M;
int i, k;
float esc = p7_profile_IsLocal(gm) ? 0 : -eslINFINITY;
/* Note: backward calculates the probability we can get *out* of
* cell i,k; exclusive of emitting residue x_i.
*/
p7_FLogsumInit();
/* Initialize the L row. */
XMX(L,p7G_J) = XMX(L,p7G_B) = XMX(L,p7G_N) = -eslINFINITY;
XMX(L,p7G_C) = gm->xsc[p7P_C][p7P_MOVE]; /* C<-T */
XMX(L,p7G_E) = XMX(L,p7G_C) + gm->xsc[p7P_E][p7P_MOVE]; /* E<-C, no tail */
MMX(L,M) = DMX(L,M) = XMX(L,p7G_E); /* {MD}_M <- E (prob 1.0) */
IMX(L,M) = -eslINFINITY; /* no I_M state */
for (k = M-1; k >= 1; k--) {
MMX(L,k) = p7_FLogsum( XMX(L,p7G_E) + esc,
DMX(L, k+1) + TSC(p7P_MD,k));
DMX(L,k) = p7_FLogsum( XMX(L,p7G_E) + esc,
DMX(L, k+1) + TSC(p7P_DD,k));
IMX(L,k) = -eslINFINITY;
}
/* Main recursion */
for (i = L-1; i >= 1; i--)
{
rsc = gm->rsc[dsq[i+1]];
XMX(i,p7G_B) = MMX(i+1,1) + TSC(p7P_BM,0) + MSC(1); /* t_BM index is 0 because it's stored off-by-one. */
for (k = 2; k <= M; k++)
XMX(i,p7G_B) = p7_FLogsum(XMX(i, p7G_B), MMX(i+1,k) + TSC(p7P_BM,k-1) + MSC(k));
XMX(i,p7G_J) = p7_FLogsum( XMX(i+1,p7G_J) + gm->xsc[p7P_J][p7P_LOOP],
XMX(i, p7G_B) + gm->xsc[p7P_J][p7P_MOVE]);
XMX(i,p7G_C) = XMX(i+1,p7G_C) + gm->xsc[p7P_C][p7P_LOOP];
XMX(i,p7G_E) = p7_FLogsum( XMX(i, p7G_J) + gm->xsc[p7P_E][p7P_LOOP],
XMX(i, p7G_C) + gm->xsc[p7P_E][p7P_MOVE]);
XMX(i,p7G_N) = p7_FLogsum( XMX(i+1,p7G_N) + gm->xsc[p7P_N][p7P_LOOP],
XMX(i, p7G_B) + gm->xsc[p7P_N][p7P_MOVE]);
MMX(i,M) = DMX(i,M) = XMX(i,p7G_E);
IMX(i,M) = -eslINFINITY;
for (k = M-1; k >= 1; k--)
{
MMX(i,k) = p7_FLogsum( p7_FLogsum(MMX(i+1,k+1) + TSC(p7P_MM,k) + MSC(k+1),
IMX(i+1,k) + TSC(p7P_MI,k) + ISC(k)),
p7_FLogsum(XMX(i,p7G_E) + esc,
DMX(i, k+1) + TSC(p7P_MD,k)));
IMX(i,k) = p7_FLogsum( MMX(i+1,k+1) + TSC(p7P_IM,k) + MSC(k+1),
IMX(i+1,k) + TSC(p7P_II,k) + ISC(k));
DMX(i,k) = p7_FLogsum( MMX(i+1,k+1) + TSC(p7P_DM,k) + MSC(k+1),
p7_FLogsum( DMX(i, k+1) + TSC(p7P_DD,k),
XMX(i, p7G_E) + esc));
}
}
/* At i=0, only N,B states are reachable. */
rsc = gm->rsc[dsq[1]];
XMX(0,p7G_B) = MMX(1,1) + TSC(p7P_BM,0) + MSC(1); /* t_BM index is 0 because it's stored off-by-one. */
for (k = 2; k <= M; k++)
XMX(0,p7G_B) = p7_FLogsum(XMX(0, p7G_B), MMX(1,k) + TSC(p7P_BM,k-1) + MSC(k));
XMX(i,p7G_J) = -eslINFINITY;
XMX(i,p7G_C) = -eslINFINITY;
XMX(i,p7G_E) = -eslINFINITY;
XMX(i,p7G_N) = p7_FLogsum( XMX(1, p7G_N) + gm->xsc[p7P_N][p7P_LOOP],
XMX(0, p7G_B) + gm->xsc[p7P_N][p7P_MOVE]);
for (k = M; k >= 1; k--)
MMX(i,M) = IMX(i,M) = DMX(i,M) = -eslINFINITY;
if (opt_sc != NULL) *opt_sc = XMX(0,p7G_N);
gx->M = M;
gx->L = L;
return eslOK;
}
/*
* 1. Compare accscore to GOptimalAccuracy().
* 2. Compare trace to GOATrace().
*
* Note: This test is subject to some expected noise and can fail
* for entirely innocent reasons. Generic Forward/Backward calculations with
* p7_GForward(), p7_GBackward() use coarse-grain table lookups to sum
* log probabilities, and sufficient roundoff error can accumulate to
* change the optimal accuracy traceback, causing this test to fail.
* So, if optacc_utest fails, before you go looking for bugs, first
* go to ../logsum.c, change the #ifdef to activate the slow/accurate
* version, recompile and rerun optacc_utest. If the failure goes away,
* you can ignore it. - SRE, Wed Dec 17 09:45:31 2008
*/
static void
utest_optacc(ESL_GETOPTS *go, ESL_RANDOMNESS *r, ESL_ALPHABET *abc, P7_BG *bg, int M, int L, int N)
{
char *msg = "optimal accuracy unit test failed";
P7_HMM *hmm = NULL;
P7_PROFILE *gm = NULL;
P7_OPROFILE *om = NULL;
ESL_SQ *sq = esl_sq_CreateDigital(abc);
P7_OMX *ox1 = p7_omx_Create(M, L, L);
P7_OMX *ox2 = p7_omx_Create(M, L, L);
P7_GMX *gx1 = p7_gmx_Create(M, L);
P7_GMX *gx2 = p7_gmx_Create(M, L);
P7_TRACE *tr = p7_trace_CreateWithPP();
P7_TRACE *trg = p7_trace_CreateWithPP();
P7_TRACE *tro = p7_trace_CreateWithPP();
float accscore_o;
float fsc, bsc, accscore;
float fsc_g, bsc_g, accscore_g, accscore_g2;
float pptol = 0.01;
float sctol = 0.001;
float gtol;
p7_FLogsumInit();
gtol = ( (p7_FLogsumError(-0.4, -0.5) > 0.0001) ? 0.1 : 0.001);
if (p7_oprofile_Sample(r, abc, bg, M, L, &hmm, &gm, &om)!= eslOK) esl_fatal(msg);
while (N--)
{
if (p7_ProfileEmit(r, hmm, gm, bg, sq, tro) != eslOK) esl_fatal(msg);
if (p7_omx_GrowTo(ox1, M, sq->n, sq->n) != eslOK) esl_fatal(msg);
if (p7_omx_GrowTo(ox2, M, sq->n, sq->n) != eslOK) esl_fatal(msg);
if (p7_gmx_GrowTo(gx1, M, sq->n) != eslOK) esl_fatal(msg);
if (p7_gmx_GrowTo(gx2, M, sq->n) != eslOK) esl_fatal(msg);
if (p7_Forward (sq->dsq, sq->n, om, ox1, &fsc) != eslOK) esl_fatal(msg);
if (p7_Backward(sq->dsq, sq->n, om, ox1, ox2, &bsc) != eslOK) esl_fatal(msg);
if (p7_Decoding(om, ox1, ox2, ox2) != eslOK) esl_fatal(msg);
if (p7_OptimalAccuracy(om, ox2, ox1, &accscore) != eslOK) esl_fatal(msg);
#if 0
p7_omx_FDeconvert(ox1, gx1);
p7_gmx_Dump(stdout, gx1, p7_DEFAULT);
p7_omx_FDeconvert(ox2, gx1);
p7_gmx_Dump(stdout, gx1, p7_DEFAULT);
#endif
if (p7_OATrace(om, ox2, ox1, tr) != eslOK) esl_fatal(msg);
if (p7_GForward (sq->dsq, sq->n, gm, gx1, &fsc_g) != eslOK) esl_fatal(msg);
if (p7_GBackward(sq->dsq, sq->n, gm, gx2, &bsc_g) != eslOK) esl_fatal(msg);
#if 0
p7_gmx_Dump(stdout, gx1, p7_DEFAULT); /* fwd */
p7_gmx_Dump(stdout, gx2, p7_DEFAULT); /* bck */
#endif
if (p7_GDecoding(gm, gx1, gx2, gx2) != eslOK) esl_fatal(msg);
if (p7_GOptimalAccuracy(gm, gx2, gx1, &accscore_g) != eslOK) esl_fatal(msg);
#if 0
p7_gmx_Dump(stdout, gx1, p7_DEFAULT); /* oa */
p7_gmx_Dump(stdout, gx2, p7_DEFAULT); /* pp */
#endif
if (p7_GOATrace(gm, gx2, gx1, trg) != eslOK) esl_fatal(msg);
if (p7_trace_SetPP(tro, gx2) != eslOK) esl_fatal(msg);
if (esl_opt_GetBoolean(go, "--traces"))
{
p7_trace_Dump(stdout, tro, gm, sq->dsq);
p7_trace_Dump(stdout, tr, gm, sq->dsq);
p7_trace_Dump(stdout, trg, gm, sq->dsq);
}
if (p7_trace_Validate(tr, abc, sq->dsq, NULL) != eslOK) esl_fatal(msg);
if (p7_trace_Validate(trg, abc, sq->dsq, NULL) != eslOK) esl_fatal(msg);
if (p7_trace_Compare(tr, trg, pptol) != eslOK) esl_fatal(msg);
accscore_o = p7_trace_GetExpectedAccuracy(tro); /* according to gx2; see p7_trace_SetPP() call above */
accscore_g2 = p7_trace_GetExpectedAccuracy(trg);
#if 0
printf("%f %f %f %f\n", accscore, accscore_g, accscore_g2, accscore_o);
#endif
if (esl_FCompare(fsc, bsc, sctol) != eslOK) esl_fatal(msg);
if (esl_FCompare(fsc_g, bsc_g, gtol) != eslOK) esl_fatal(msg);
if (esl_FCompare(fsc, fsc_g, gtol) != eslOK) esl_fatal(msg);
if (esl_FCompare(accscore, accscore_g, gtol) != eslOK) esl_fatal(msg);
if (esl_FCompare(accscore_g, accscore_g2, gtol) != eslOK) esl_fatal(msg);
if (accscore_g2 < accscore_o) esl_fatal(msg);
/* the above deserves explanation:
* - accscore_o is the accuracy of the originally emitted trace, according
* to the generic posterior decoding matrix <gx2>. This is a lower bound
* on the expected # of accurately aligned residues found by a DP
* optimization.
* - accscore is the accuracy found by the fast (vector) code DP implementation.
* - accscore_g is the accuracy found by the generic DP implementation.
* accscore and accscore_g should be nearly identical,
* within tolerance of roundoff error accumulation and
* the imprecision of Logsum() tables.
* - accscore_g2 is the accuracy of the traceback identified by the generic
* DP implementation. It should be identical (within order-of-evaluation
* roundoff error) to accscore_g.
*
* the "accscore_g2 < accscore_o" test is carefully contrived.
* accscore_o is a theoretical lower bound but because of fp error,
* accscore and (much more rarely) even accscore_g can exceed accscore_o.
* accscore_g2, however, is calculated with identical order of evaluation
* as accscore_o if the optimal trace does turn out to be identical to
* the originally emitted trace. It should be extremely unlikely (though
* not impossible) for accscore_o to exceed accscore_g2. (The DP algorithm
* would have to identify a trace that was different than the original trace,
* which the DP algorithm, by order-of-evaluation, assigned higher accuracy,
* but order-of-evaluation in traceback dependent code assigned lower accuracy.
* [xref J5/29]
*/
esl_sq_Reuse(sq);
p7_trace_Reuse(tr);
p7_trace_Reuse(trg);
p7_trace_Reuse(tro);
}
p7_trace_Destroy(tro);
p7_trace_Destroy(trg);
p7_trace_Destroy(tr);
p7_gmx_Destroy(gx2);
p7_gmx_Destroy(gx1);
p7_omx_Destroy(ox2);
p7_omx_Destroy(ox1);
esl_sq_Destroy(sq);
p7_oprofile_Destroy(om);
p7_profile_Destroy(gm);
p7_hmm_Destroy(hmm);
}
/* Function: p7_GForward()
* Synopsis: The Forward algorithm.
* Incept: SRE, Mon Apr 16 13:57:35 2007 [Janelia]
*
* Purpose: The Forward dynamic programming algorithm.
*
* Given a digital sequence <dsq> of length <L>, a profile
* <gm>, and DP matrix <gx> allocated for at least <gm->M>
* by <L> cells; calculate the probability of the sequence
* given the model using the Forward algorithm; return the
* Forward matrix in <gx>, and the Forward score in <ret_sc>.
*
* The Forward score is in lod score form. To convert to a
* bitscore, the caller needs to subtract a null model lod
* score, then convert to bits.
*
* Args: dsq - sequence in digitized form, 1..L
* L - length of dsq
* gm - profile.
* gx - DP matrix with room for an MxL alignment
* opt_sc - optRETURN: Forward lod score in nats
*
* Return: <eslOK> on success.
*/
int
p7_GForward(const ESL_DSQ *dsq, int L, const P7_PROFILE *gm, P7_GMX *gx, float *opt_sc)
{
float const *tsc = gm->tsc;
float **dp = gx->dp;
float *xmx = gx->xmx;
int M = gm->M;
int i, k;
float esc = p7_profile_IsLocal(gm) ? 0 : -eslINFINITY;
/* Initialization of the zero row, and the lookup table of the log
* sum routine.
*/
XMX(0,p7G_N) = 0; /* S->N, p=1 */
XMX(0,p7G_B) = gm->xsc[p7P_N][p7P_MOVE]; /* S->N->B, no N-tail */
XMX(0,p7G_E) = XMX(0,p7G_C) = XMX(0,p7G_J) = -eslINFINITY; /* need seq to get here */
for (k = 0; k <= M; k++)
MMX(0,k) = IMX(0,k) = DMX(0,k) = -eslINFINITY; /* need seq to get here */
p7_FLogsumInit();
/* Recursion. Done as a pull.
* Note some slightly wasteful boundary conditions:
* tsc[0] = impossible for all eight transitions (no node 0)
* D_1 is wastefully calculated (doesn't exist)
*/
for (i = 1; i <= L; i++)
{
float const *rsc = gm->rsc[dsq[i]];
float sc;
MMX(i,0) = IMX(i,0) = DMX(i,0) = -eslINFINITY;
XMX(i, p7G_E) = -eslINFINITY;
for (k = 1; k < M; k++)
{
/* match state */
sc = p7_FLogsum(p7_FLogsum(MMX(i-1,k-1) + TSC(p7P_MM,k-1),
IMX(i-1,k-1) + TSC(p7P_IM,k-1)),
p7_FLogsum(XMX(i-1,p7G_B) + TSC(p7P_BM,k-1),
DMX(i-1,k-1) + TSC(p7P_DM,k-1)));
MMX(i,k) = sc + MSC(k);
/* insert state */
sc = p7_FLogsum(MMX(i-1,k) + TSC(p7P_MI,k),
IMX(i-1,k) + TSC(p7P_II,k));
IMX(i,k) = sc + ISC(k);
/* delete state */
DMX(i,k) = p7_FLogsum(MMX(i,k-1) + TSC(p7P_MD,k-1),
DMX(i,k-1) + TSC(p7P_DD,k-1));
/* E state update */
XMX(i,p7G_E) = p7_FLogsum(p7_FLogsum(MMX(i,k) + esc,
DMX(i,k) + esc),
XMX(i,p7G_E));
}
/* unrolled match state M_M */
sc = p7_FLogsum(p7_FLogsum(MMX(i-1,M-1) + TSC(p7P_MM,M-1),
IMX(i-1,M-1) + TSC(p7P_IM,M-1)),
p7_FLogsum(XMX(i-1,p7G_B) + TSC(p7P_BM,M-1),
DMX(i-1,M-1) + TSC(p7P_DM,M-1)));
MMX(i,M) = sc + MSC(M);
IMX(i,M) = -eslINFINITY;
/* unrolled delete state D_M */
DMX(i,M) = p7_FLogsum(MMX(i,M-1) + TSC(p7P_MD,M-1),
DMX(i,M-1) + TSC(p7P_DD,M-1));
/* unrolled E state update */
XMX(i,p7G_E) = p7_FLogsum(p7_FLogsum(MMX(i,M),
DMX(i,M)),
XMX(i,p7G_E));
/* J state */
XMX(i,p7G_J) = p7_FLogsum(XMX(i-1,p7G_J) + gm->xsc[p7P_J][p7P_LOOP],
XMX(i, p7G_E) + gm->xsc[p7P_E][p7P_LOOP]);
/* C state */
XMX(i,p7G_C) = p7_FLogsum(XMX(i-1,p7G_C) + gm->xsc[p7P_C][p7P_LOOP],
XMX(i, p7G_E) + gm->xsc[p7P_E][p7P_MOVE]);
/* N state */
XMX(i,p7G_N) = XMX(i-1,p7G_N) + gm->xsc[p7P_N][p7P_LOOP];
/* B state */
XMX(i,p7G_B) = p7_FLogsum(XMX(i, p7G_N) + gm->xsc[p7P_N][p7P_MOVE],
XMX(i, p7G_J) + gm->xsc[p7P_J][p7P_MOVE]);
}
if (opt_sc != NULL) *opt_sc = XMX(L,p7G_C) + gm->xsc[p7P_C][p7P_MOVE];
gx->M = M;
gx->L = L;
return eslOK;
}
struct Init_Caller { Init_Caller() { p7_FLogsumInit(); } };
// This code needs to be run before any of the program logic
// It sets up pre-computed values and caches
void initialize()
{
p7_FLogsumInit();
}
int init_hmmer_wrapper(const char* hmmfile) {
p7_FLogsumInit();
impl_Init();
esl_exception_SetHandler(hmmer_error_handler);
int status, index;
P7_HMM* model = NULL;
P7_PROFILE* gm = NULL;
P7_OPROFILE* om = NULL;
status = p7_hmmfile_Open(hmmfile, p7_HMMDBENV, &hmm_fp);
if(status != eslOK) {
if(hmm_fp) {
p7_hmmfile_Close(hmm_fp);
}
if(!hmm_fp->is_pressed) {
return MODELS_NOT_PRESSED;
}
return -status;
}
model = NULL;
while((status = p7_hmmfile_Read(hmm_fp, &abc, &model)) == eslOK) {
if(bg == NULL) {
bg = p7_bg_Create(abc);
p7_bg_SetLength(bg, 400);
}
gm = p7_profile_Create(model->M, abc);
om = p7_oprofile_Create(model->M, abc);
p7_ProfileConfig(model, bg, gm, 400, p7_UNILOCAL);
p7_oprofile_Convert(gm, om);
/*while((status = p7_oprofile_ReadMSV(hmm_fp, &abc, &om)) == eslOK) {
p7_oprofile_ReadRest(hmm_fp, om);*/
if(num_models >= models_capacity) {
models_capacity += INC_NUM_MODELS;
models = (P7_OPROFILE**)realloc(models, sizeof(P7_OPROFILE*) * models_capacity);
gmodels = (P7_PROFILE**)realloc(gmodels, sizeof(P7_PROFILE*) * models_capacity);
}
models[num_models] = om;
gmodels[num_models] = gm;
p7_hmm_Destroy(model);
model = NULL;
om = NULL;
gm = NULL;
num_models++;
}
if(models == 0) {
return 0;
}
tr = p7_trace_CreateWithPP();
oxf = p7_omx_Create(400, 400, 400);
oxb = p7_omx_Create(400, 400, 400);
wrapper_results = (WRAPPER_RESULT**)malloc(sizeof(WRAPPER_RESULT*) * num_models);
for(index = 0;index < num_models;index++) {
wrapper_results[index] = new_result();
}
num_results = 0;
return num_models;
}
int
main(int argc, char **argv)
{
ESL_GETOPTS *go = esl_getopts_CreateDefaultApp(options, 1, argc, argv, banner, usage);
char *hmmfile = esl_opt_GetArg(go, 1);
ESL_STOPWATCH *w = esl_stopwatch_Create();
ESL_RANDOMNESS *r = esl_randomness_CreateFast(esl_opt_GetInteger(go, "-s"));
ESL_ALPHABET *abc = NULL;
P7_HMMFILE *hfp = NULL;
P7_HMM *hmm = NULL;
P7_BG *bg = NULL;
P7_PROFILE *gm = NULL;
P7_OPROFILE *om = NULL;
P7_GMX *gx = NULL;
P7_OMX *fwd = NULL;
P7_OMX *bck = NULL;
int L = esl_opt_GetInteger(go, "-L");
int N = esl_opt_GetInteger(go, "-N");
ESL_DSQ *dsq = malloc(sizeof(ESL_DSQ) * (L+2));
int i;
float fsc, bsc;
float fsc2, bsc2;
double base_time, bench_time, Mcs;
p7_FLogsumInit();
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");
bg = p7_bg_Create(abc);
p7_bg_SetLength(bg, L);
gm = p7_profile_Create(hmm->M, abc);
p7_ProfileConfig(hmm, bg, gm, L, p7_LOCAL);
om = p7_oprofile_Create(gm->M, abc);
p7_oprofile_Convert(gm, om);
p7_oprofile_ReconfigLength(om, L);
if (esl_opt_GetBoolean(go, "-x") && p7_FLogsumError(-0.4, -0.5) > 0.0001)
p7_Fail("-x here requires p7_Logsum() recompiled in slow exact mode");
if (esl_opt_GetBoolean(go, "-P")) {
fwd = p7_omx_Create(gm->M, 0, L);
bck = p7_omx_Create(gm->M, 0, L);
} else {
fwd = p7_omx_Create(gm->M, L, L);
bck = p7_omx_Create(gm->M, L, L);
}
gx = p7_gmx_Create(gm->M, L);
/* Get a baseline time: how long it takes just to generate the sequences */
esl_stopwatch_Start(w);
for (i = 0; i < N; i++) esl_rsq_xfIID(r, bg->f, abc->K, L, dsq);
esl_stopwatch_Stop(w);
base_time = w->user;
esl_stopwatch_Start(w);
for (i = 0; i < N; i++)
{
esl_rsq_xfIID(r, bg->f, abc->K, L, dsq);
if (esl_opt_GetBoolean(go, "-P")) {
if (! esl_opt_GetBoolean(go, "-B")) p7_ForwardParser (dsq, L, om, fwd, &fsc);
if (! esl_opt_GetBoolean(go, "-F")) p7_BackwardParser(dsq, L, om, fwd, bck, &bsc);
} else {
if (! esl_opt_GetBoolean(go, "-B")) p7_Forward (dsq, L, om, fwd, &fsc);
if (! esl_opt_GetBoolean(go, "-F")) p7_Backward(dsq, L, om, fwd, bck, &bsc);
}
if (esl_opt_GetBoolean(go, "-c") || esl_opt_GetBoolean(go, "-x"))
{
p7_GForward (dsq, L, gm, gx, &fsc2);
p7_GBackward(dsq, L, gm, gx, &bsc2);
printf("%.4f %.4f %.4f %.4f\n", fsc, bsc, fsc2, bsc2);
}
}
esl_stopwatch_Stop(w);
bench_time = w->user - base_time;
Mcs = (double) N * (double) L * (double) gm->M * 1e-6 / (double) bench_time;
esl_stopwatch_Display(stdout, w, "# CPU time: ");
printf("# M = %d\n", gm->M);
printf("# %.1f Mc/s\n", Mcs);
free(dsq);
p7_omx_Destroy(bck);
p7_omx_Destroy(fwd);
p7_gmx_Destroy(gx);
p7_oprofile_Destroy(om);
p7_profile_Destroy(gm);
p7_bg_Destroy(bg);
p7_hmm_Destroy(hmm);
p7_hmmfile_Close(hfp);
esl_alphabet_Destroy(abc);
esl_stopwatch_Destroy(w);
esl_randomness_Destroy(r);
esl_getopts_Destroy(go);
return 0;
}
int
main(int argc, char **argv)
{
ESL_GETOPTS *go = p7_CreateDefaultApp(options, 2, argc, argv, banner, usage);
char *hmmfile = esl_opt_GetArg(go, 1);
char *seqfile = esl_opt_GetArg(go, 2);
ESL_ALPHABET *abc = NULL;
P7_HMMFILE *hfp = NULL;
P7_HMM *hmm = NULL;
P7_BG *bg = NULL;
P7_PROFILE *gm = NULL;
P7_GMX *gx1 = NULL;
P7_GMX *gx2 = NULL;
ESL_SQ *sq = NULL;
ESL_SQFILE *sqfp = NULL;
P7_TRACE *tr = NULL;
int format = eslSQFILE_UNKNOWN;
char errbuf[eslERRBUFSIZE];
float fsc, bsc, vsc;
float accscore;
int status;
/* Read in one HMM */
if (p7_hmmfile_OpenE(hmmfile, NULL, &hfp, NULL) != 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);
/* Read in one sequence */
sq = esl_sq_CreateDigital(abc);
status = esl_sqfile_OpenDigital(abc, 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);
if (esl_sqio_Read(sqfp, sq) != eslOK) p7_Fail("Failed to read sequence");
esl_sqfile_Close(sqfp);
/* Configure a profile from the HMM */
bg = p7_bg_Create(abc);
p7_bg_SetLength(bg, sq->n);
gm = p7_profile_Create(hmm->M, abc);
p7_ProfileConfig(hmm, bg, gm, sq->n, p7_LOCAL); /* multihit local: H3 default */
/* Allocations */
gx1 = p7_gmx_Create(gm->M, sq->n);
gx2 = p7_gmx_Create(gm->M, sq->n);
tr = p7_trace_CreateWithPP();
p7_FLogsumInit();
/* Run Forward, Backward; do OA fill and trace */
p7_GForward (sq->dsq, sq->n, gm, gx1, &fsc);
p7_GBackward(sq->dsq, sq->n, gm, gx2, &bsc);
p7_GDecoding(gm, gx1, gx2, gx2); /* <gx2> is now the posterior decoding matrix */
p7_GOptimalAccuracy(gm, gx2, gx1, &accscore); /* <gx1> is now the OA matrix */
p7_GOATrace(gm, gx2, gx1, tr);
if (esl_opt_GetBoolean(go, "-d")) p7_gmx_Dump(stdout, gx2, p7_DEFAULT);
if (esl_opt_GetBoolean(go, "-m")) p7_gmx_Dump(stdout, gx1, p7_DEFAULT);
p7_trace_Dump(stdout, tr, gm, sq->dsq);
if (p7_trace_Validate(tr, abc, sq->dsq, errbuf) != eslOK) p7_Die("trace fails validation:\n%s\n", errbuf);
printf("fwd = %.4f nats\n", fsc);
printf("bck = %.4f nats\n", bsc);
printf("acc = %.4f (%.2f%%)\n", accscore, accscore * 100. / (float) sq->n);
p7_trace_Reuse(tr);
p7_GViterbi(sq->dsq, sq->n, gm, gx1, &vsc);
p7_GTrace (sq->dsq, sq->n, gm, gx1, tr);
p7_trace_SetPP(tr, gx2);
p7_trace_Dump(stdout, tr, gm, sq->dsq);
printf("vit = %.4f nats\n", vsc);
printf("acc = %.4f\n", p7_trace_GetExpectedAccuracy(tr));
/* Cleanup */
esl_sq_Destroy(sq);
p7_trace_Destroy(tr);
p7_gmx_Destroy(gx1);
p7_gmx_Destroy(gx2);
p7_profile_Destroy(gm);
p7_bg_Destroy(bg);
p7_hmm_Destroy(hmm);
esl_alphabet_Destroy(abc);
esl_getopts_Destroy(go);
return 0;
}
int
main(int argc, char **argv)
{
ESL_GETOPTS *go = p7_CreateDefaultApp(options, 1, argc, argv, banner, usage);
char *hmmfile = esl_opt_GetArg(go, 1);
ESL_STOPWATCH *w = esl_stopwatch_Create();
ESL_RANDOMNESS *r = esl_randomness_CreateFast(esl_opt_GetInteger(go, "-s"));
ESL_ALPHABET *abc = NULL;
P7_HMMFILE *hfp = NULL;
P7_HMM *hmm = NULL;
P7_BG *bg = NULL;
P7_PROFILE *gm = NULL;
P7_GMX *gx1 = NULL;
P7_GMX *gx2 = NULL;
P7_TRACE *tr = NULL;
int L = esl_opt_GetInteger(go, "-L");
int N = esl_opt_GetInteger(go, "-N");
ESL_DSQ *dsq = malloc(sizeof(ESL_DSQ) * (L+2));
int i;
float fsc, bsc, accscore;
double Mcs;
p7_FLogsumInit();
if (p7_hmmfile_OpenE(hmmfile, NULL, &hfp, NULL) != eslOK) p7_Fail("Failed to open HMM file %s", hmmfile);
if (p7_hmmfile_Read(hfp, &abc, &hmm) != eslOK) p7_Fail("Failed to read HMM");
bg = p7_bg_Create(abc);
p7_bg_SetLength(bg, L);
gm = p7_profile_Create(hmm->M, abc);
p7_ProfileConfig(hmm, bg, gm, L, p7_UNILOCAL);
gx1 = p7_gmx_Create(gm->M, L);
gx2 = p7_gmx_Create(gm->M, L);
tr = p7_trace_CreateWithPP();
esl_rsq_xfIID(r, bg->f, abc->K, L, dsq);
p7_GForward (dsq, L, gm, gx1, &fsc);
p7_GBackward(dsq, L, gm, gx2, &bsc);
p7_GDecoding(gm, gx1, gx2, gx2); /* <gx2> is now the posterior decoding matrix */
esl_stopwatch_Start(w);
for (i = 0; i < N; i++)
{
p7_GOptimalAccuracy(gm, gx2, gx1, &accscore); /* <gx1> is now the OA matrix */
if (! esl_opt_GetBoolean(go, "--notrace"))
{
p7_GOATrace(gm, gx2, gx1, tr);
p7_trace_Reuse(tr);
}
}
esl_stopwatch_Stop(w);
Mcs = (double) N * (double) L * (double) gm->M * 1e-6 / w->user;
esl_stopwatch_Display(stdout, w, "# CPU time: ");
printf("# M = %d\n", gm->M);
printf("# %.1f Mc/s\n", Mcs);
free(dsq);
p7_trace_Destroy(tr);
p7_gmx_Destroy(gx1);
p7_gmx_Destroy(gx2);
p7_profile_Destroy(gm);
p7_bg_Destroy(bg);
p7_hmm_Destroy(hmm);
p7_hmmfile_Close(hfp);
esl_alphabet_Destroy(abc);
esl_stopwatch_Destroy(w);
esl_randomness_Destroy(r);
esl_getopts_Destroy(go);
return 0;
}
int
main(int argc, char **argv)
{
ESL_GETOPTS *go = p7_CreateDefaultApp(options, 1, argc, argv, banner, usage);
char *hmmfile = esl_opt_GetArg(go, 1);
ESL_STOPWATCH *w = esl_stopwatch_Create();
ESL_RANDOMNESS *r = esl_randomness_CreateFast(esl_opt_GetInteger(go, "-s"));
ESL_ALPHABET *abc = NULL;
P7_HMMFILE *hfp = NULL;
P7_HMM *hmm = NULL;
P7_BG *bg = NULL;
P7_PROFILE *gm = NULL;
P7_OPROFILE *om = NULL;
P7_GMX *gx1 = NULL;
P7_GMX *gx2 = NULL;
P7_OMX *ox1 = NULL;
P7_OMX *ox2 = NULL;
P7_TRACE *tr = NULL;
int L = esl_opt_GetInteger(go, "-L");
int N = esl_opt_GetInteger(go, "-N");
ESL_DSQ *dsq = malloc(sizeof(ESL_DSQ) * (L+2));
int i;
float fsc, bsc, accscore;
float fsc_g, bsc_g, accscore_g;
double Mcs;
p7_FLogsumInit();
if (p7_hmmfile_OpenE(hmmfile, NULL, &hfp, NULL) != eslOK) p7_Fail("Failed to open HMM file %s", hmmfile);
if (p7_hmmfile_Read(hfp, &abc, &hmm) != eslOK) p7_Fail("Failed to read HMM");
bg = p7_bg_Create(abc); p7_bg_SetLength(bg, L);
gm = p7_profile_Create(hmm->M, abc); p7_ProfileConfig(hmm, bg, gm, L, p7_LOCAL);
om = p7_oprofile_Create(gm->M, abc); p7_oprofile_Convert(gm, om);
p7_oprofile_ReconfigLength(om, L);
if (esl_opt_GetBoolean(go, "-x") && p7_FLogsumError(-0.4, -0.5) > 0.0001)
p7_Fail("-x here requires p7_Logsum() recompiled in slow exact mode");
ox1 = p7_omx_Create(gm->M, L, L);
ox2 = p7_omx_Create(gm->M, L, L);
tr = p7_trace_CreateWithPP();
esl_rsq_xfIID(r, bg->f, abc->K, L, dsq);
p7_Forward (dsq, L, om, ox1, &fsc);
p7_Backward(dsq, L, om, ox1, ox2, &bsc);
p7_Decoding(om, ox1, ox2, ox2);
esl_stopwatch_Start(w);
for (i = 0; i < N; i++)
{
p7_OptimalAccuracy(om, ox2, ox1, &accscore);
if (! esl_opt_GetBoolean(go, "--notrace"))
{
p7_OATrace(om, ox2, ox1, tr);
p7_trace_Reuse(tr);
}
}
esl_stopwatch_Stop(w);
Mcs = (double) N * (double) L * (double) gm->M * 1e-6 / (double) w->user;
esl_stopwatch_Display(stdout, w, "# CPU time: ");
printf("# M = %d\n", gm->M);
printf("# %.1f Mc/s\n", Mcs);
if (esl_opt_GetBoolean(go, "-c") || esl_opt_GetBoolean(go, "-x") )
{
gx1 = p7_gmx_Create(gm->M, L);
gx2 = p7_gmx_Create(gm->M, L);
p7_GForward (dsq, L, gm, gx1, &fsc_g);
p7_GBackward(dsq, L, gm, gx2, &bsc_g);
p7_GDecoding(gm, gx1, gx2, gx2);
p7_GOptimalAccuracy(gm, gx2, gx1, &accscore_g);
printf("generic: fwd=%8.4f bck=%8.4f acc=%8.4f\n", fsc_g, bsc_g, accscore_g);
printf("VMX: fwd=%8.4f bck=%8.4f acc=%8.4f\n", fsc, bsc, accscore);
p7_gmx_Destroy(gx1);
p7_gmx_Destroy(gx2);
}
free(dsq);
p7_omx_Destroy(ox1);
p7_omx_Destroy(ox2);
p7_trace_Destroy(tr);
p7_oprofile_Destroy(om);
p7_profile_Destroy(gm);
p7_bg_Destroy(bg);
p7_hmm_Destroy(hmm);
p7_hmmfile_Close(hfp);
esl_alphabet_Destroy(abc);
esl_stopwatch_Destroy(w);
esl_randomness_Destroy(r);
esl_getopts_Destroy(go);
return 0;
}
int
main(int argc, char **argv)
{
ESL_GETOPTS *go = p7_CreateDefaultApp(options, 2, argc, argv, banner, usage);
char *hmmfile = esl_opt_GetArg(go, 1);
char *seqfile = esl_opt_GetArg(go, 2);
ESL_ALPHABET *abc = NULL;
P7_HMMFILE *hfp = NULL;
P7_HMM *hmm = NULL;
P7_BG *bg = NULL;
P7_PROFILE *gm = NULL;
P7_GMX *fwd = NULL;
P7_GMX *bck = NULL;
ESL_SQ *sq = NULL;
ESL_SQFILE *sqfp = NULL;
int format = eslSQFILE_UNKNOWN;
float fsc, bsc;
float nullsc;
int status;
/* Initialize log-sum calculator */
p7_FLogsumInit();
/* Read in one HMM */
if (p7_hmmfile_OpenE(hmmfile, NULL, &hfp, NULL) != 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);
/* Read in one sequence */
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);
/* Now reconfig the models however we were asked to */
if (esl_opt_GetBoolean(go, "--fs")) p7_ProfileConfig(hmm, bg, gm, sq->n, p7_LOCAL);
else if (esl_opt_GetBoolean(go, "--sw")) p7_ProfileConfig(hmm, bg, gm, sq->n, p7_UNILOCAL);
else if (esl_opt_GetBoolean(go, "--ls")) p7_ProfileConfig(hmm, bg, gm, sq->n, p7_GLOCAL);
else if (esl_opt_GetBoolean(go, "--s")) p7_ProfileConfig(hmm, bg, gm, sq->n, p7_UNIGLOCAL);
/* Allocate matrices */
fwd = p7_gmx_Create(gm->M, sq->n);
bck = p7_gmx_Create(gm->M, sq->n);
printf("%-30s %-10s %-10s %-10s %-10s\n", "# seq name", "fwd (raw)", "bck (raw) ", "fwd (bits)", "bck (bits)");
printf("%-30s %10s %10s %10s %10s\n", "#--------------", "----------", "----------", "----------", "----------");
while ( (status = esl_sqio_Read(sqfp, sq)) != eslEOF)
{
if (status == eslEFORMAT) p7_Fail("Parse failed (sequence file %s)\n%s\n", sqfp->filename, sqfp->get_error(sqfp));
else if (status != eslOK) p7_Fail("Unexpected error %d reading sequence file %s", status, sqfp->filename);
/* Resize the DP matrices if necessary */
p7_gmx_GrowTo(fwd, gm->M, sq->n);
p7_gmx_GrowTo(bck, gm->M, sq->n);
/* Set the profile and null model's target length models */
p7_bg_SetLength(bg, sq->n);
p7_ReconfigLength(gm, sq->n);
/* Run Forward, Backward */
p7_GForward (sq->dsq, sq->n, gm, fwd, &fsc);
p7_GBackward(sq->dsq, sq->n, gm, bck, &bsc);
p7_gmx_Dump(stdout, fwd, p7_DEFAULT);
/* Those scores are partial log-odds likelihoods in nats.
* Subtract off the rest of the null model, convert to bits.
*/
p7_bg_NullOne(bg, sq->dsq, sq->n, &nullsc);
printf("%-30s %10.4f %10.4f %10.4f %10.4f\n",
sq->name,
fsc, bsc,
(fsc - nullsc) / eslCONST_LOG2, (bsc - nullsc) / eslCONST_LOG2);
p7_gmx_Reuse(fwd);
p7_gmx_Reuse(bck);
esl_sq_Reuse(sq);
}
/* Cleanup */
esl_sqfile_Close(sqfp);
esl_sq_Destroy(sq);
p7_gmx_Destroy(fwd);
p7_gmx_Destroy(bck);
p7_profile_Destroy(gm);
p7_bg_Destroy(bg);
p7_hmm_Destroy(hmm);
esl_alphabet_Destroy(abc);
esl_getopts_Destroy(go);
return 0;
}
