core_algorithms.c
来自「这是一个基于HMM 模型的生物多序列比对算法的linux实现版本。hmmer」· C语言 代码 · 共 1,965 行 · 第 1/5 页
C
1,965 行
for (k = 1; k <= hmm->M; k++) { /* match state */ mmx[cur][k] = -INFTY; if ((sc = mmx[prv][k-1] + hmm->tsc[TMM][k-1]) > -INFTY) { mmx[cur][k] = sc; mtr[cur][k] = mtr[prv][k-1]; } if ((sc = imx[prv][k-1] + hmm->tsc[TIM][k-1]) > mmx[cur][k]) { mmx[cur][k] = sc; mtr[cur][k] = itr[prv][k-1]; } if ((sc = xmx[prv][XMB] + hmm->bsc[k]) > mmx[cur][k]) { mmx[cur][k] = sc; mtr[cur][k] = i-1; } if ((sc = dmx[prv][k-1] + hmm->tsc[TDM][k-1]) > mmx[cur][k]) { mmx[cur][k] = sc; mtr[cur][k] = dtr[prv][k-1]; } if (hmm->msc[dsq[i]][k] != -INFTY) mmx[cur][k] += hmm->msc[dsq[i]][k]; else mmx[cur][k] = -INFTY; /* delete state */ dmx[cur][k] = -INFTY; if ((sc = mmx[cur][k-1] + hmm->tsc[TMD][k-1]) > -INFTY) { dmx[cur][k] = sc; dtr[cur][k] = mtr[cur][k-1]; } if ((sc = dmx[cur][k-1] + hmm->tsc[TDD][k-1]) > dmx[cur][k]) { dmx[cur][k] = sc; dtr[cur][k] = dtr[cur][k-1]; } /* insert state */ if (k < hmm->M) { imx[cur][k] = -INFTY; if ((sc = mmx[prv][k] + hmm->tsc[TMI][k]) > -INFTY) { imx[cur][k] = sc; itr[cur][k] = mtr[prv][k]; } if ((sc = imx[prv][k] + hmm->tsc[TII][k]) > imx[cur][k]) { imx[cur][k] = sc; itr[cur][k] = itr[prv][k]; } if (hmm->isc[dsq[i]][k] != -INFTY) imx[cur][k] += hmm->isc[dsq[i]][k]; else imx[cur][k] = -INFTY; } } /* Now the special states. Order is important here. * remember, C and J emissions are zero score by definition, */ /* N state */ xmx[cur][XMN] = -INFTY; if ((sc = xmx[prv][XMN] + hmm->xsc[XTN][LOOP]) > -INFTY) xmx[cur][XMN] = sc; /* E state */ xmx[cur][XME] = -INFTY; for (k = 1; k <= hmm->M; k++) if ((sc = mmx[cur][k] + hmm->esc[k]) > xmx[cur][XME]) { xmx[cur][XME] = sc; etr[i] = mtr[cur][k]; } /* J state */ xmx[cur][XMJ] = -INFTY; if ((sc = xmx[prv][XMJ] + hmm->xsc[XTJ][LOOP]) > -INFTY) { xmx[cur][XMJ] = sc; xtr[cur][XMJ] = xtr[prv][XMJ]; } if ((sc = xmx[cur][XME] + hmm->xsc[XTE][LOOP]) > xmx[cur][XMJ]) { xmx[cur][XMJ] = sc; xtr[cur][XMJ] = i; } /* B state */ xmx[cur][XMB] = -INFTY; if ((sc = xmx[cur][XMN] + hmm->xsc[XTN][MOVE]) > -INFTY) { xmx[cur][XMB] = sc; btr[i] = 0; } if ((sc = xmx[cur][XMJ] + hmm->xsc[XTJ][MOVE]) > xmx[cur][XMB]) { xmx[cur][XMB] = sc; btr[i] = xtr[cur][XMJ]; } /* C state */ xmx[cur][XMC] = -INFTY; if ((sc = xmx[prv][XMC] + hmm->xsc[XTC][LOOP]) > -INFTY) { xmx[cur][XMC] = sc; xtr[cur][XMC] = xtr[prv][XMC]; } if ((sc = xmx[cur][XME] + hmm->xsc[XTE][MOVE]) > xmx[cur][XMC]) { xmx[cur][XMC] = sc; xtr[cur][XMC] = i; } } /* T state (not stored) */ sc = xmx[cur][XMC] + hmm->xsc[XTC][MOVE]; /***************************************************************** * Collapsed traceback stage. * xtr[L%2][XMC] contains the position j of the previous E * etr[j] contains the position i of the previous B * btr[i] contains the position j of the previous E, or 0 * continue until btr[i] = 0. *****************************************************************/ curralloc = 2; /* minimum: no hits */ P7AllocTrace(curralloc, &tr); /* Init of collapsed trace. Back to front; we ReverseTrace() later. */ tpos = 0; tr->statetype[tpos] = STT; tr->pos[tpos] = 0; i = xtr[L%2][XMC]; while (i > 0) { curralloc += 2; P7ReallocTrace(tr, curralloc); tpos++; tr->statetype[tpos] = STE; tr->pos[tpos] = i; i = etr[i]; tpos++; tr->statetype[tpos] = STB; tr->pos[tpos] = i; i = btr[i]; } tpos++; tr->statetype[tpos] = STS; tr->pos[tpos] = 0; tr->tlen = tpos + 1; P7ReverseTrace(tr); FreePlan7Matrix(mx); FreePlan7Matrix(tmx); free(btr); free(etr); *ret_tr = tr; return Scorify(sc);}/* Function: P7WeeViterbi() * Date: SRE, Wed Mar 4 08:24:04 1998 [St. Louis] * * Purpose: Hirschberg/Myers/Miller linear memory alignment. * See [Hirschberg75,MyM-88a] for the idea of the algorithm. * Adapted to HMM implementation. * * Requires that you /know/ that there's only * one hit to the model in the sequence: either * because you're forcing single-hit, or you've * previously called P7ParsingViterbi to parse * the sequence into single-hit segments. The reason * for this is that a cyclic model (a la Plan7) * defeats the nice divide and conquer trick. * (I think some trickery with propagated trace pointers * could get around this but haven't explored it.) * This is implemented by ignoring transitions * to/from J state. * * Args: dsq - sequence in digitized form * L - length of dsq * hmm - the model * ret_tr - RETURN: traceback. * * Returns: Score of the optimal Viterbi alignment. */floatP7WeeViterbi(unsigned char *dsq, int L, struct plan7_s *hmm, struct p7trace_s **ret_tr){ struct p7trace_s *tr; /* RETURN: traceback */ int *kassign; /* 0..L+1, alignment of seq positions to model nodes */ char *tassign; /* 0..L+1, alignment of seq positions to state types */ int *endlist; /* stack of end points on sequence to work on */ int *startlist; /* stack of start points on sequence to work on */ int lpos; /* position in endlist, startlist */ int k1, k2, k3; /* start, mid, end in model */ char t1, t2, t3; /* start, mid, end in state type */ int s1, s2, s3; /* start, mid, end in sequence */ float sc; /* score of segment optimal alignment */ float ret_sc; /* optimal score over complete seq */ int tlen; /* length needed for trace */ int i, k, tpos; /* index in sequence, model, trace */ /* Initialize. */ kassign = MallocOrDie (sizeof(int) * (L+1)); tassign = MallocOrDie (sizeof(char)* (L+1)); endlist = MallocOrDie (sizeof(int) * (L+1)); startlist = MallocOrDie (sizeof(int) * (L+1)); lpos = 0; startlist[lpos] = 1; endlist[lpos] = L; kassign[1] = 1; kassign[L] = hmm->M; tassign[1] = STS; /* temporary boundary condition! will become N or M */ tassign[L] = STT; /* temporary boundary condition! will become M or C */ /* Recursive divide-and-conquer alignment. */ while (lpos >= 0) { /* Pop a segment off the stack */ s1 = startlist[lpos]; k1 = kassign[s1]; t1 = tassign[s1]; s3 = endlist[lpos]; k3 = kassign[s3]; t3 = tassign[s3]; lpos--; /* find optimal midpoint of segment */ sc = get_wee_midpt(hmm, dsq, L, k1, t1, s1, k3, t3, s3, &k2, &t2, &s2); kassign[s2] = k2; tassign[s2] = t2; /* score is valid on first pass */ if (t1 == STS && t3 == STT) ret_sc = sc; /* push N-terminal segment on stack */ if (t2 != STN && (s2 - s1 > 1 || (s2 - s1 == 1 && t1 == STS))) { lpos++; startlist[lpos] = s1; endlist[lpos] = s2; } /* push C-terminal segment on stack */ if (t2 != STC && (s3 - s2 > 1 || (s3 - s2 == 1 && t3 == STT))) { lpos++; startlist[lpos] = s2; endlist[lpos] = s3; } if (t2 == STN) { /* if we see STN midpoint, we know the whole N-term is STN */ for (; s2 >= s1; s2--) { kassign[s2] = 1; tassign[s2] = STN; } } if (t2 == STC) { /* if we see STC midpoint, we know whole C-term is STC */ for (; s2 <= s3; s2++) { kassign[s2] = hmm->M; tassign[s2] = STC; } } } /***************************************************************** * Construct a traceback structure from kassign/tassign by interpolating * necessary states. * Trace allocation is as follows. We clearly need L emitting states. * We also need nonemitting states as follows: * STS,STN,STB,STE,STC,STT = 6 * STD: count k2-k1-1 in kassign M->M's * Also, count N->M's and M->C's (potential wing unfoldings)... * ...and be careful to check wing unfoldings when there aren't * any emitting N or C flanks! (bugfix, 2.1.1b) *****************************************************************/ tlen = L + 6; for (i = 1; i < L; i++) { if (tassign[i] == STM && tassign[i+1] == STM) tlen += kassign[i+1] - kassign[i] - 1; if (tassign[i] == STN && tassign[i+1] == STM) tlen += kassign[i+1] - 1; if (tassign[i] == STM && tassign[i+1] == STC) tlen += hmm->M - kassign[i]; } if (tassign[1] == STM) tlen += kassign[1] - 1; if (tassign[L] == STM) tlen += hmm->M - kassign[L]; P7AllocTrace(tlen, &tr); tr->statetype[0] = STS; tr->nodeidx[0] = 0; tr->pos[0] = 0; tr->statetype[1] = STN; tr->nodeidx[1] = 0; tr->pos[1] = 0; tpos = 2; for (i = 1; i <= L; i++) { switch(tassign[i]) { case STM: /* check for first match state */ if (tr->statetype[tpos-1] == STN) { tr->statetype[tpos] = STB; tr->nodeidx[tpos] = 0; tr->pos[tpos] = 0; tpos++; /* check for wing unfolding */ if (Prob2Score(hmm->begin[kassign[i]], hmm->p1) + INTSCALE <= hmm->bsc[kassign[i]]) for (k = 1; k < kassign[i]; k++) { tr->statetype[tpos] = STD; tr->nodeidx[tpos] = k; tr->pos[tpos] = 0; tpos++; } } /* do the match state itself */ tr->statetype[tpos] = STM; tr->nodeidx[tpos] = kassign[i]; tr->pos[tpos] = i; tpos++; /* do any deletes necessary 'til next match */ if (i < L && tassign[i+1] == STM && kassign[i+1] - kassign[i] > 1) for (k = kassign[i] + 1; k < kassign[i+1]; k++) { tr->statetype[tpos] = STD; tr->nodeidx[tpos] = k; tr->pos[tpos] = 0; tpos++; } /* check for last match state */ if (i == L || tassign[i+1] == STC) { /* check for wing unfolding */ if (Prob2Score(hmm->end[kassign[i-1]], 1.) + INTSCALE <= hmm->esc[kassign[i-1]]) for (k = kassign[i]+1; k <= hmm->M; k++) { tr->statetype[tpos] = STD; tr->nodeidx[tpos] = k; tr->pos[tpos] = 0; tpos++; } /* add on the end state */ tr->statetype[tpos] = STE; tr->nodeidx[tpos] = 0; tr->pos[tpos] = 0; tpos++; /* and a nonemitting C state */ tr->statetype[tpos] = STC; tr->nodeidx[tpos] = 0; tr->pos[tpos] = 0; tpos++; } break; case STI: tr->statetype[tpos] = STI; tr->nodeidx[tpos] = kassign[i]; tr->pos[tpos] = i; tpos++; break; case STN: tr->statetype[tpos] = STN; tr->nodeidx[tpos] = 0; tr->pos[tpos] = i; tpos++; break; case STC: tr->statetype[tpos] = STC; tr->nodeidx[tpos] = 0; tr->pos[tpos] = i; tpos++; break; default: Die("Bogus state %s", Statetype(tassign[i])); } } /* terminate the trace */ tr->statetype[tpos] = STT; tr->nodeidx[tpos] = 0; tr->pos[tpos] = 0; tr->tlen = tpos+1; *ret_tr = tr; free(kassign); free(tassign); free(startlist); free(endlist); return ret_sc;}/* Function: Plan7ESTViterbi() * * Purpose: Frameshift-tolerant alignment of protein model to cDNA EST. * * */floatPlan7ESTViterbi(unsigned char *dsq, int L, struct plan7_s *hmm, struct dpmatrix_s **ret_mx){ struct dpmatrix_s *mx; int **xmx; int **mmx; int **imx; int **dmx; int i,k; int sc; int codon; /* Allocate a DP matrix with 0..L rows, 0..M+1 columns. */ mx = AllocPlan7Matrix(L+1, hmm->M, &xmx, &mmx, &imx, &dmx); /* Initialization of the zero row (DNA sequence of length 0) * Note that xmx[i][stN] = 0 by definition for all i, * and xmx[i][stT] = xmx[i][stC], so neither stN nor stT need * to be calculated in DP matrices. */ xmx[0][XMN] = 0; /* S->N, p=1 */ xmx[0][XMB] = hmm->xsc[XTN][MOVE]; /* S->N->B, no N-tail */ xmx[0][XME] = xmx[0][XMC] = xmx[0][XMJ] = -INFTY; /* need seq to get here */ for (k = 0; k <= hmm->M; k++) mmx[0][k] = imx[0][k] = dmx[0][k] = -INFTY; /* need seq to get here */
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