]> git.donarmstrong.com Git - samtools.git/blobdiff - kaln.c
More comments. This version seems working, but something is a little weird...
[samtools.git] / kaln.c
diff --git a/kaln.c b/kaln.c
index 015030eca4a3e22cde12031c5ffb354f4447aaf3..ec8c6dfd836acdf0f3724950b2535364e7f49230 100644 (file)
--- a/kaln.c
+++ b/kaln.c
@@ -27,6 +27,7 @@
 #include <stdio.h>
 #include <string.h>
 #include <stdint.h>
+#include <math.h>
 #include "kaln.h"
 
 #define FROM_M 0
@@ -72,8 +73,8 @@ int aln_sm_blast[] = {
        -2, -2, -2, -2, -2
 };
 
-ka_param_t ka_param_blast = {  5,  2,  2, aln_sm_blast, 5, 50 };
-ka_param_t ka_param_aa2aa = { 10,  2,  2, aln_sm_blosum62, 22, 50 };
+ka_param_t ka_param_blast = {  5,  2,   5, 2, aln_sm_blast, 5, 50 };
+ka_param_t ka_param_aa2aa = { 10,  2,  10, 2, aln_sm_blosum62, 22, 50 };
 
 static uint32_t *ka_path2cigar32(const path_t *path, int path_len, int *n_cigar)
 {
@@ -141,13 +142,13 @@ static uint32_t *ka_path2cigar32(const path_t *path, int path_len, int *n_cigar)
 }
 #define set_end_I(II, cur, p)                                                  \
 {                                                                                                              \
-       if (gap_end >= 0) {                                                                     \
-               if ((p)->M - gap_open > (p)->I) {                               \
+       if (gap_end_ext >= 0) {                                                         \
+               if ((p)->M - gap_end_open > (p)->I) {                   \
                        (cur)->It = FROM_M;                                                     \
-                       (II) = (p)->M - gap_open - gap_end;                     \
+                       (II) = (p)->M - gap_end_open - gap_end_ext;     \
                } else {                                                                                \
                        (cur)->It = FROM_I;                                                     \
-                       (II) = (p)->I - gap_end;                                        \
+                       (II) = (p)->I - gap_end_ext;                            \
                }                                                                                               \
        } else set_I(II, cur, p);                                                       \
 }
@@ -163,13 +164,13 @@ static uint32_t *ka_path2cigar32(const path_t *path, int path_len, int *n_cigar)
 }
 #define set_end_D(DD, cur, p)                                                  \
 {                                                                                                              \
-       if (gap_end >= 0) {                                                                     \
-               if ((p)->M - gap_open > (p)->D) {                               \
+       if (gap_end_ext >= 0) {                                                         \
+               if ((p)->M - gap_end_open > (p)->D) {                   \
                        (cur)->Dt = FROM_M;                                                     \
-                       (DD) = (p)->M - gap_open - gap_end;                     \
+                       (DD) = (p)->M - gap_end_open - gap_end_ext;     \
                } else {                                                                                \
                        (cur)->Dt = FROM_D;                                                     \
-                       (DD) = (p)->D - gap_end;                                        \
+                       (DD) = (p)->D - gap_end_ext;                            \
                }                                                                                               \
        } else set_D(DD, cur, p);                                                       \
 }
@@ -182,17 +183,6 @@ typedef struct {
        int M, I, D;
 } dpscore_t;
 
-/* build score profile for accelerating alignment, in theory */
-static void aln_init_score_array(uint8_t *seq, int len, int row, int *score_matrix, int **s_array)
-{
-       int *tmp, *tmp2, i, k;
-       for (i = 0; i != row; ++i) {
-               tmp = score_matrix + i * row;
-               tmp2 = s_array[i];
-               for (k = 0; k != len; ++k)
-                       tmp2[k] = tmp[seq[k]];
-       }
-}
 /***************************
  * banded global alignment *
  ***************************/
@@ -206,13 +196,14 @@ uint32_t *ka_global_core(uint8_t *seq1, int len1, uint8_t *seq2, int len2, const
        uint8_t type, ctype;
        uint32_t *cigar = 0;
 
-       int gap_open, gap_ext, gap_end, b;
+       int gap_open, gap_ext, gap_end_open, gap_end_ext, b;
        int *score_matrix, N_MATRIX_ROW;
 
        /* initialize some align-related parameters. just for compatibility */
        gap_open = ap->gap_open;
        gap_ext = ap->gap_ext;
-       gap_end = ap->gap_end;
+       gap_end_open = ap->gap_end_open;
+       gap_end_ext = ap->gap_end_ext;
        b = ap->band_width;
        score_matrix = ap->matrix;
        N_MATRIX_ROW = ap->row;
@@ -379,3 +370,163 @@ uint32_t *ka_global_core(uint8_t *seq1, int len1, uint8_t *seq2, int len2, const
 
        return cigar;
 }
+
+/***************************
+ * Probabilistic extension *
+ ***************************/
+
+#define set_u(u, b, i, k) { int x=(i)-(b); x=x>0?x:0; (u)=((k)-x+1)*3; }
+
+ka_probpar_t ka_probpar_def = { 0.0001, 0.1, 10 };
+
+/*
+  The profile HMM is:
+
+    /\      /\             /\        /\             /\
+    I[0]    I[1]           I[k-1]    I[k]           I[L]
+     ^   \   ^   \      \    ^    \   ^   \      \   ^
+     |    \  |    \      \   |     \  |    \      \  |
+    M[0] -> M[1] -> ... -> M[k-1] -> M[k] -> ... -> M[L]   M[L+1]
+         \       \/     \/        \/      \/      /
+          \      /\     /\        /\      /\     /
+            D[1] ->     -> D[k-1] -> D[k] ->
+            \/             \/        \/
+
+  Every {M,I}[k], k=0..L connects M[L+1] at the same probability, while
+  no D[k], k=1..L-1 connects M[L+1]. This means an alignment can end up
+  with M or I but not D.
+
+  Deletions are dumb states which do not emit residues. Frankly, I am
+  not sure if they are handled properly in the following
+  implementation. This is a potential concern to be resolved in future.
+ */
+int ka_prob_extend(uint8_t *_ref, int l_ref, uint8_t *_query, int l_query, float *_qual,
+                                  const ka_probpar_t *c, int *state, uint8_t *q)
+{
+       double **f, **b, m[9], f_sink, sI, sM, pf, pb, pD;
+       float *qual;
+       uint8_t *ref, *query;
+       int bw, bw2, i, k, is_diff = 0;
+       /*** initialization ***/
+       ref = _ref - 1;
+       query = _query - 1;
+       qual = _qual - 1;
+       bw = c->bw;
+       bw2 = c->bw * 2 + 1;
+       f = calloc(l_query+1, sizeof(void*));
+       b = calloc(l_query+1, sizeof(void*));
+       for (i = 0; i <= l_query; ++i) {
+               f[i] = calloc(bw2 * 3 + 6, sizeof(double));
+               b[i] = calloc(bw2 * 3 + 6, sizeof(double));
+       }
+       // initialize m
+       sM = sI = 1. / (2 * l_query + 2);
+       m[0*3+0] = (1 - c->d - c->d) * (1 - sM); m[0*3+1] = m[0*3+2] = c->d * (1 - sM);
+       m[1*3+0] = (1 - c->e) * (1 - sI); m[1*3+1] = c->e * (1 - sI); m[1*3+2] = 0.;
+       m[2*3+0] = 1 - c->e; m[2*3+1] = 0.; m[2*3+2] = c->e;
+       /*** forward ***/
+       // f[0]
+       set_u(k, bw, 0, 0);
+       f[0][k] = 1.;
+       // f[1..l_query]; core loop
+       for (i = 1; i <= l_query; ++i) {
+               double *fi = f[i], *fi1 = f[i-1];
+               int beg = 0, end = l_ref, x;
+               x = i - bw; beg = beg > x? beg : x;
+               x = i + bw; end = end < x? end : x;
+               for (k = beg; k <= end; ++k) {
+                       int u, v11, v01, v10;
+                       double e;
+                       e = (ref[k] > 3 || query[i] > 3)? 1. : ref[k] == query[i]? 1. - qual[i] : qual[i] / 3.;
+                       set_u(u, bw, i, k); set_u(v11, bw, i-1, k-1); set_u(v10, bw, i-1, k); set_u(v01, bw, i, k-1);
+                       fi[u+0] = e * (m[0] * fi1[v11+0] + m[3] * fi1[v11+1] + m[6] * fi1[v11+2]);
+                       fi[u+1] = .25 * (m[1] * fi1[v10+0] + m[4] * fi1[v10+1]);
+                       fi[u+2] = m[2] * fi[v01+0] + m[8] * fi[v01+2];
+                       fprintf(stderr, "F (%d,%d;%d): %lg,%lg,%lg\n", i, k, u, fi[u], fi[u+1], fi[u+2]); // DEBUG
+               }
+       }
+       // sink
+       for (k = 0, f_sink = 0.; k <= l_ref; ++k) {
+               int u;
+               set_u(u, bw, l_query, k);
+               if (u < 3 || u >= bw2*3+3) continue;
+               f_sink += f[l_query][u+0] * sM + f[l_query][u+1] * sI;
+       }
+       pf = f_sink;
+       /*** backward ***/
+       // sink
+       for (k = 0; k <= l_ref; ++k) {
+               int u;
+               double *bi = b[l_query];
+               set_u(u, bw, l_query, k);
+               if (u < 3 || u >= bw2*3+3) continue;
+               bi[u+0] = sM; bi[u+1] = sI;
+       }
+       // b[l_query-1..1]; core loop
+       for (i = l_query - 1; i > 0; --i) {
+               int beg = 0, end = l_ref, x;
+               double *bi = b[i], *bi1 = b[i+1];
+               x = i - bw; beg = beg > x? beg : x;
+               x = i + bw; end = end < x? end : x;
+               for (k = end; k >= beg; --k) {
+                       int u, v11, v01, v10;
+                       double e;
+                       e = k >= l_ref? 0 : (ref[k+1] > 3 || query[i+1] > 3)? 1. : ref[k+1] == query[i+1]? 1. - qual[i+1] : qual[i+1] / 3.;
+                       set_u(u, bw, i, k); set_u(v11, bw, i+1, k+1); set_u(v10, bw, i+1, k); set_u(v01, bw, i, k+1);
+                       bi[u+0] = e * m[0] * bi1[v11+0] + .25 * m[1] * bi1[v10+1] + m[2] * bi[v01+2];
+                       bi[u+1] = e * m[3] * bi1[v11+0] + .25 * m[4] * bi1[v10+1];
+                       bi[u+2] = e * m[6] * bi1[v11+0] + m[8] * bi[v01+2];
+                       fprintf(stderr, "B (%d,%d;%d): %lg,%lg,%lg\n", i, k, u, bi[u], bi[u+1], bi[u+2]); // DEBUG
+               }
+       }
+       { // the "zero" coordinate (i==k==0)
+               double *bi = b[0], *bi1 = b[1];
+               int u, v11, v01, v10;
+               double e = (ref[1] > 3 || query[1] > 3)? 1. : ref[1] == query[1]? 1. - qual[1] : qual[1] / 3.;
+               set_u(u, bw, 0, 0); set_u(v11, bw, 1, 1); set_u(v10, bw, 1, 0); set_u(v01, bw, 0, 1);
+               bi[u+0] = e * m[0] * bi1[v11+0] + .25 * m[1] * bi1[v10+1] + m[2] * bi[v01+2];
+       }
+       set_u(k, bw, 0, 0);
+       pb = b[0][k];
+       pD = (pf + pb) / 2.;
+       is_diff = fabs(pb/pf - 1.) > 1e-7? 1 : 0;
+       /*** MAP ***/
+       for (i = 1; i <= l_query; ++i) {
+               double sum = 0., *fi = f[i], *bi = b[i], max = 0.;
+               int beg = 0, end = l_ref, x, max_k = -1;
+               x = i - bw; beg = beg > x? beg : x;
+               x = i + bw; end = end < x? end : x;
+               for (k = beg; k <= end; ++k) {
+                       int u;
+                       double z;
+                       set_u(u, bw, i, k);
+                       z = fi[u+0] * bi[u+0]; if (z > max) max = z, max_k = k<<2 | 0; sum += z;
+                       z = fi[u+1] * bi[u+1]; if (z > max) max = z, max_k = k<<2 | 1; sum += z;
+               }
+               max /= sum; sum /= pD; // if everything works as is expected, sum == 1.0
+               if (state) state[i-1] = max_k;
+               if (q) q[i-1] = -4.343 * log(1. - max);
+#ifdef _MAIN
+               fprintf(stderr, "[%d],%d,%lg,%d:%d,%lg\n", is_diff, i, sum, max_k>>2, max_k&3, max); // DEBUG
+#endif
+       }
+       /*** free ***/
+       for (i = 0; i <= l_query; ++i) {
+               free(f[i]); free(b[i]);
+       }
+       free(f); free(b);
+       return 0;
+}
+
+#ifdef _MAIN
+int main()
+{
+       int l_ref = 5, l_query = 4;
+       uint8_t *ref = (uint8_t*)"\0\1\3\3\1";
+//     uint8_t *query = (uint8_t*)"\0\3\3\1";
+       uint8_t *query = (uint8_t*)"\1\3\3\1"; // FIXME: the output is not so right given this input!!!
+       static float qual[4] = {.01, .01, .01, .01};
+       ka_prob_extend(ref, l_ref, query, l_query, qual, &ka_probpar_def, 0, 0);
+       return 0;
+}
+#endif