#include #include #include // #include #include // #include #include "io_lib_header.h" #include "util_lib_header.h" #include "define_header.h" #include "dp_lib_header.h" #include "fastal_lib_header.h" #include "fast_tree_header.h" //TODO: seq_pair2diagonal delete num points from parameters //TODO: reuse list //Fastal_param *param_set; /*! \mainpage T-Coffee Index Page * * \section intro_sec Introduction * * This is the introduction. * * \section install_sec Installation * * \subsection step1 Step 1: Opening the box * * etc... * \section fastal_sec Fastal * * This program is a very fast aligner. It is capable of aligning huge sets of sequences because it keeps as much as necessary on hard disk. */ /*! * \file fastal.c * \brief Source code for the fastal algorithm */ /** * \brief Calculates scores for diagonal segments. * * \param seq1 Sequence 1 * \param seq2 Sequence 2 * \param *diagonals The diagonals. Three consecutive entries belong togehter. 1. pos in \a seq1 , 2. pos in \a seq2 and 3. length of diagonal * \param num_diagonals Number of diagonals * \param s1_length Length of \a seq1 * \param list length of list. * \param list An 2-dim array to save the scores in. * \return new list */ int ** diag2pair_list(char* seq1, char* seq2, int *diagonals, int num_diagonals, int ***list_in, int *current_length, int *current_num_points, int additional_needed, Fastal_param *param_set) { int **mat = param_set->M; int i, j, diag_length, pos1, pos2; int **list = list_in[0]; // printf("NUM: %i\n",num_diagonals); int l1 = strlen(seq1), l2 = strlen(seq2); int x = *current_num_points; int s1_length = strlen(seq1); int mini; for (i = 0; i < num_diagonals; ++i) { pos1 = diagonals[i*3]; pos2 = diagonals[i*3+1]; diag_length = diagonals[i*3+2]; mini = MIN(pos1, pos2); pos1 -= mini; pos2 -= mini; while ((pos1 < l1) && (pos2 < l2)) { if (x==*current_length) { *current_length+=1000; list=vrealloc (list,(*current_length)*sizeof(int*)); } if (!list[x]) list[x]=vcalloc (7, sizeof (int)); list[x][0] = pos1+1; list[x][1] = pos2+1; list[x][2] = mat[toupper(seq1[pos1])-'A'][toupper(seq2[pos2])-'A']; ++x; ++pos1; ++pos2; } } *current_num_points = x; list_in[0]=list; } void guessalignment(Fastal_profile prf) { } int fastal_compare (const void * a, const void * b) { return (*(int*)a - *(int*)b); } int ** diagonals2int(int *diagonals, int num_diagonals, char *seq1, char *seq2, int *num_points, Fastal_param *param_set) { int l1 = strlen(seq1); int l2 = strlen(seq2); int gep = param_set->gep; int current_size = l2+l1; int **list = vcalloc(current_size, sizeof(int*)); int *diags = vcalloc(num_diagonals, sizeof(int)); int i; // printf("SEQ: %s\nSEQ:%s\n",seq1, seq2); // printf("X: %i\n",num_diagonals); for (i = 0; i < num_diagonals; ++i) { diags[i] = l1 - diagonals[i*3] + diagonals[i*3+1]; } qsort (diags, num_diagonals, sizeof(int), fastal_compare); int *diagx = vcalloc(num_diagonals, sizeof(int)); int *diagy = vcalloc(num_diagonals, sizeof(int)); int *old_pos = vcalloc(num_diagonals, sizeof(int)); //+1 because diagonals start here at position 1, like in "real" dynamic programming int a = 0, b = -1; for (i = 0; i < num_diagonals; ++i) { if (diags[i] < l1) { diagx[i] = l1 - diags[i]; diagy[i] = 0; a= i; } else break; } ++a; b=a-1; for (; i < num_diagonals; ++i) { diagx[i] = 0; diagy[i] = diags[i]-l1; b = i; } int tmpy_pos; int tmpy_value; int **M = param_set->M; int *last_y = vcalloc(l2+1, sizeof(int)); int *last_x = vcalloc(l1+1, sizeof(int)); last_y[0] = 0; last_x[0] = 0; list[0] = vcalloc(6, sizeof(int)); int list_pos = 1; int dig_num = l1; int tmp_l2 = l2 + 1; //left border for (; list_pos < tmp_l2; ++list_pos) { list[list_pos] = vcalloc(6, sizeof(int)); list[list_pos][0] = 0; list[list_pos][1] = list_pos; last_y[list_pos] = list_pos; list[list_pos][2] = list_pos*gep; list[list_pos][4] = list_pos-1; } int pos_x = 0; int diags_old = l2; int tmp = l1; int y; int tmp_l1 = l1-1; while (pos_x < tmp_l1) { if (list_pos + num_diagonals+2 > current_size) { current_size += num_diagonals*1000; list = vrealloc(list, current_size * sizeof(int*)); } //upper border list[list_pos] = vcalloc(6, sizeof(int)); list[list_pos][0] = ++pos_x; list[list_pos][1] = 0; list[list_pos][2] = pos_x * gep; list[list_pos][3] = last_y[0]; tmpy_value = list_pos; tmpy_pos = 0; last_x[pos_x] = list_pos; ++list_pos; //diagonals for (i = a; i <= b; ++i) { list[list_pos] = vcalloc(6, sizeof(int)); list[list_pos][0] = ++diagx[i]; list[list_pos][1] = ++diagy[i]; list[list_pos][3] = last_y[diagy[i]]; list[list_pos][4] = list_pos-1; list[list_pos][5] = last_y[diagy[i]-1]; list[list_pos][2] = M[toupper(seq1[diagx[i]-1])-'A'][toupper(seq2[diagy[i]-1])-'A']; last_y[tmpy_pos] = tmpy_value; tmpy_value = list_pos; tmpy_pos = diagy[i]; ++list_pos; } last_y[tmpy_pos] = tmpy_value; //lower border if (list[list_pos-1][1] != l2) { list[list_pos] = vcalloc(6, sizeof(int)); list[list_pos][0] = pos_x; list[list_pos][1] = l2; list[list_pos][3] = last_y[l2]; list[list_pos][2] = -1000; list[list_pos][4] = list_pos-1; if (pos_x > l2) list[list_pos][5] = last_x[pos_x-l2]; else list[list_pos][5] = l2-pos_x; last_y[l2] = list_pos; ++list_pos; } if ((b >= 0) && (diagy[b] == l2)) --b; if ((a >0) && (diagx[a-1] == pos_x)) --a; } dig_num = -1; if (list_pos + l2+2 > current_size) { current_size += list_pos + l2 + 2; list = vrealloc(list, current_size * sizeof(int*)); } // right border list[list_pos] = vcalloc(6, sizeof(int)); list[list_pos][0] = l1; list[list_pos][1] = 0; list[list_pos][3] = last_x[l1-1]; list[list_pos][2] = -1000; ++list_pos; for (i = 1; i <= l2; ++i) { list[list_pos] = vcalloc(6, sizeof(int)); list[list_pos][0] = l1; list[list_pos][1] = i; list[list_pos][3] = last_y[i]; list[list_pos][4] = list_pos-1; y = last_y[i-1]; if ((list[y][0] == l1-1) && (list[y][1] == i-1)) { list[list_pos][5] = y; list[list_pos][2] = M[toupper(seq1[l1-1])-'A'][toupper(seq2[i-1])-'A']; } else { if (i <= l1) { list[list_pos][5] = last_x[l1-i]; } else { list[list_pos][5] = i-l1; } list[list_pos][2] = -1000; } ++list_pos; } list[list_pos - l2][2] = -1000; *num_points = list_pos; // int blb; // for (blb = 0; blb gep; int current_size = l2+l1; int **list = vcalloc(current_size, sizeof(int*)); int *diags = vcalloc(num_diagonals, sizeof(int)); int i; for (i = 0; i < num_diagonals; ++i) { diags[i] = l1 - diagonals[i*3] + diagonals[i*3+1]; } qsort (diags, num_diagonals, sizeof(int), fastal_compare); int *diagx = vcalloc(num_diagonals, sizeof(int)); int *diagy = vcalloc(num_diagonals, sizeof(int)); int *old_pos = vcalloc(num_diagonals, sizeof(int)); //+1 because diagonals start here at position 1, like in "real" dynamic programming int a = 0, b = -1; for (i = 0; i < num_diagonals; ++i) { if (diags[i] < l1) { diagx[i] = l1 - diags[i]; diagy[i] = 0; a= i; } else break; } ++a; b=a-1; for (; i < num_diagonals; ++i) { diagx[i] = 0; diagy[i] = diags[i]-l1; b = i; } int tmpy_pos; int tmpy_value; int **M = param_set->M; int *last_y = vcalloc(l2+1, sizeof(int)); int *last_x = vcalloc(l1+1, sizeof(int)); last_y[0] = 0; last_x[0] = 0; list[0] = vcalloc(6, sizeof(int)); // list[0][3] = l1; int list_pos = 1; int dig_num = l1; int tmp_l2 = l2 + 1; //left border for (; list_pos < tmp_l2; ++list_pos) { list[list_pos] = vcalloc(6, sizeof(int)); list[list_pos][0] = 0; list[list_pos][1] = list_pos; last_y[list_pos] = list_pos; list[list_pos][2] = list_pos*gep; list[list_pos][3] = ++dig_num; list[list_pos][5] = list_pos-1; } int pos_x = 0; int diags_old = l2; int bla; int bla2, bla3, tmp_x; int tmp = l1; int y; int tmp_l1 = l1-1; while (pos_x < tmp_l1) { if (list_pos + num_diagonals+2 > current_size) { current_size += num_diagonals*50; list = vrealloc(list, current_size * sizeof(int*)); } //upper border list[list_pos] = vcalloc(6, sizeof(int)); list[list_pos][0] = ++pos_x; list[list_pos][1] = 0; list[list_pos][2] = pos_x * gep; list[list_pos][3] = --tmp; list[list_pos][4] = last_y[0]; tmpy_value = list_pos; tmpy_pos = 0; last_x[pos_x] = list_pos; ++list_pos; //diagonals for (i = a; i <= b; ++i) { list[list_pos] = vcalloc(6, sizeof(int)); list[list_pos][0] = ++diagx[i]; list[list_pos][1] = ++diagy[i]; list[list_pos][3] = diags[i]; list[list_pos][4] = last_y[diagy[i]]; list[list_pos][5] = list_pos-1; list[list_pos][6] = last_y[diagy[i]-1]; list[list_pos][2] = 0; bla3 = 0; bla2 = 0; tmp_x = 0; for (bla = 0; bla<10; ++bla) { for (bla2 = 0; bla2<10; ++bla2) { bla3 += prf2->prf[bla2][diagy[i]-1] * prf1->prf[bla][diagx[i]-1]; tmp_x += prf2->prf[bla2][diagy[i]-1] * prf1->prf[bla][diagx[i]-1] * M[pos2char[bla]-'A'][pos2char[bla2] -'A']; } } list[list_pos][2] = (int)tmp_x / bla3; // for (bla = 0; bla<10; ++bla) // bla2 += prf2->prf[bla][diagy[i]-1]; // bla2 = bla2/prf2->num_sequences; // // for (bla = 0; bla<10; ++bla) // bla3 += prf1->prf[bla][diagy[i]-1]; // // bla3 = bla3/prf1->num_sequences; // // // if ((bla2 > 0.7) && (bla3 > 0.7)) // list[list_pos][2] = M[toupper(seq1[diagx[i]-1])-'A'][toupper(seq2[diagy[i]-1])-'A']; // else if ((bla< 0.7) && (bla3 < 0.7)) // list[list_pos][2] = M[toupper(seq1[diagx[i]-1])-'A'][toupper(seq2[diagy[i]-1])-'A'] = 3; // else // list[list_pos][2] = M[toupper(seq1[diagx[i]-1])-'A'][toupper(seq2[diagy[i]-1])-'A'] * ((bla< 0.7) && (bla3 < 0.7)); // list[list_pos][2] = M[toupper(seq1[diagx[i]-1])-'A'][toupper(seq2[diagy[i]-1])-'A'];//* ((bla2+bla3)/2); last_y[tmpy_pos] = tmpy_value; tmpy_value = list_pos; tmpy_pos = diagy[i]; ++list_pos; } last_y[tmpy_pos] = tmpy_value; //lower border if (list[list_pos-1][1] != l2) { list[list_pos] = vcalloc(6, sizeof(int)); list[list_pos][0] = pos_x; list[list_pos][1] = l2; list[list_pos][4] = last_y[l2]; list[list_pos][2] = -1000; list[list_pos][3] = l1 - pos_x + l2; list[list_pos][5] = list_pos-1; if (pos_x > l2) list[list_pos][6] = last_x[pos_x-l2]; else list[list_pos][6] = l2-pos_x; last_y[l2] = list_pos; ++list_pos; } if ((b >= 0) && (diagy[b] == l2)) --b; if ((a >0) && (diagx[a-1] == pos_x)) --a; } dig_num = -1; if (list_pos + l2+2 > current_size) { current_size += list_pos + l2 + 2; list = vrealloc(list, current_size * sizeof(int*)); } // right border list[list_pos] = vcalloc(6, sizeof(int)); list[list_pos][0] = l1; list[list_pos][1] = 0; list[list_pos][3] = ++dig_num; list[list_pos][4] = last_x[l1-1]; list[list_pos][2] = -1000; ++list_pos; for (i = 1; i <= l2; ++i) { list[list_pos] = vcalloc(6, sizeof(int)); list[list_pos][0] = l1; list[list_pos][1] = i; list[list_pos][3] = ++dig_num; list[list_pos][4] = last_y[i]; list[list_pos][5] = list_pos-1; y = last_y[i-1]; if ((list[y][0] == l1-1) && (list[y][1] == i-1)) { list[list_pos][6] = y; list[list_pos][2] = M[toupper(seq1[l1-1])-'A'][toupper(seq2[i-1])-'A']; } else { if (i <= l1) { list[list_pos][6] = last_x[l1-i]; } else { list[list_pos][6] = i-l1; } list[list_pos][2] = -1000; } ++list_pos; } list[list_pos - l2][2] = -1000; *num_points = list_pos; return list; } //************************** sparse dynamic aligning ********************************************************** void combine_profiles2file(int **prf1, int **prf2, int pos1, int pos2, Fastal_param *param_set, FILE *prof_f, char state) { int alphabet_size = param_set->alphabet_size; char *pos2aa = &(param_set->pos2char[0]); int i; int x = 0; if (state == 'M') { for (i = 0; i < alphabet_size; ++i) if (prf1[i][pos1] + prf2[i][pos2] > 0) { if (x) fprintf(prof_f," %c%i", pos2aa[i],prf1[i][pos1]+prf2[i][pos2]); else fprintf(prof_f,"%c%i", pos2aa[i],prf1[i][pos1]+prf2[i][pos2]); x = 1; } fprintf(prof_f,"\n"); } else if (state == 'D') { for (i = 0; i < alphabet_size; ++i) if (prf2[i][pos2] > 0) { if (x) fprintf(prof_f," %c%i", pos2aa[i],prf2[i][pos2]); else fprintf(prof_f,"%c%i", pos2aa[i],prf2[i][pos2]); x = 1; } fprintf(prof_f,"\n"); } else { for (i = 0; i < alphabet_size; ++i) if (prf1[i][pos1] > 0) { if (x) fprintf(prof_f," %c%i", pos2aa[i],prf1[i][pos1]); else fprintf(prof_f,"%c%i", pos2aa[i],prf1[i][pos1]); x = 1; } fprintf(prof_f,"\n"); } } #define LIN(a,b,c) a[b*5+c] /** * Calculates a fast and sparse dynamic programming matrix * * \param prf1 Profile of first sequence. * \param prf2 Profile of second sequence. * \param param_set The parameter for the alignment. * \param list The list of diagonals. * \param n number of dots. * \param edit_f File to save the edit information. * \param prof_f File to save the profile. * \param node_number Number of the new profile. */ int list2linked_pair_wise_fastal(Fastal_profile *prf1, Fastal_profile *prf2, Fastal_param *param_set, int **list, int n, FILE *edit_f, FILE *prof_f, int node_number) { int a,b,c, i, j, LEN=0, start_trace; int pi, pj,ij, delta_i, delta_j, prev_i, prev_j; static int **slist; static long *MI, *MJ, *MM,*MT2; static int *sortseq; static int max_size; int gop, gep, igop, igep; int l1, l2, l, ls; char **al; char **aln,*char_buf; int ni=0, nj=0; long score; int nomatch = param_set->nomatch; l1=prf1->length; l2=prf2->length; al=declare_char (2,l1+l2+1); igop=param_set->gop; gep=igep=param_set->gep; if (n>max_size) { max_size=n; vfree (MI);vfree (MJ); vfree (MM); free_int (slist, -1); slist=declare_int (n,3); MI=vcalloc (5*n, sizeof (long)); MJ=vcalloc (5*n, sizeof (long)); MM=vcalloc (5*n, sizeof (long)); } else { for (a=0; a1 && (ls=list[a][0]-list[ij][0])==(list[a][1]-list[ij][1])) { LIN(MM,a,0)=MAX3(LIN(MM,ij,0),LIN(MI,ij,0),LIN(MJ,ij,0))+list[a][2]-(ls*nomatch); LIN(MM,a,1)=ij; LIN(MM,a,2)=ls; LIN(MM,a,3)=ls; if ( LIN(MM,ij,0)>=LIN(MI,ij,0) && LIN(MM,ij,0)>=LIN(MJ,ij,0))LIN(MM,a,4)='m'; else if ( LIN(MI,ij,0) >= LIN(MJ,ij,0))LIN(MM,a,4)='i'; else LIN(MM,a,4)='j'; } else { LIN(MM,a,0)=UNDEFINED; LIN(MM,a,1)=-1; } } a=start_trace; if (LIN(MM,a,0)>=LIN(MI,a,0) && LIN(MM,a,0) >=LIN(MJ,a,0))MT2=MM; else if ( LIN(MI,a,0)>=LIN(MJ,a,0))MT2=MI; else MT2=MJ; score=MAX3(LIN(MM,a,0), LIN(MI,a,0), LIN(MJ,a,0)); i=l1; j=l2; while (!(i==0 &&j==0)) { int next_a; l=MAX(LIN(MT2,a,2),LIN(MT2,a,3)); // HERE ("%c from %c %d %d SCORE=%d [%d %d] [%2d %2d]", T2[a][5],T2[a][4], T2[a][2], T2[a][3], T2[a][0], gop, gep, i, j); if (i==0) { while ( j>0) { al[0][LEN]=0; al[1][LEN]=1; j--; LEN++; } } else if (j==0) { while ( i>0) { al[0][LEN]=1; al[1][LEN]=0; i--; LEN++; } } else if (l==0) {HERE ("L=0 i=%d j=%d",l, i, j);exit (0);} else { for (b=0; bprf_number, prf2->prf_number, prf1->is_leaf, prf2->is_leaf); fprintf(prof_f, "%i\n0\n%i\n1\n", node_number,LEN); char statec[] = {'M','D','I'}; int num = 0; int state = 0; i = 0; j = 0; for ( b=0; b< LEN; b++) { if ((al[0][b]==1) && (al[1][b]==1)) { combine_profiles2file(prf1->prf, prf2->prf, i, j, param_set, prof_f, 'M'); ++i; ++j; if (state != 0) { fprintf(edit_f, "%c%i\n",statec[state], num); num =1; state = 0; } else ++num; } else if (al[0][b]==1) { // prf1->prf[param_set->alphabet_size-1] += prf2->num_sequences; combine_profiles2file(prf1->prf, prf2->prf, i, j, param_set, prof_f, 'I'); ++i; if (state != 2) { fprintf(edit_f, "%c%i\n",statec[state], num); num =1; state = 2; } else ++num; } else if (al[1][b]==1) { // prf2->prf[param_set->alphabet_size-1] += prf1->num_sequences; combine_profiles2file(prf1->prf, prf2->prf, i, j, param_set, prof_f, 'D'); ++j; if (state != 1) { fprintf(edit_f, "%c%i\n",statec[state], num); num =1; state = 1; } else ++num; } } fprintf(edit_f, "%c%i\n",statec[state], num); num =1; state = 1; fprintf(edit_f,"*\n"); fprintf(prof_f,"*\n"); free_char (al, -1); // exit(0); return LEN; } /** * \brief Tuns a profile into a consensus sequence. * * The character with the highest number of occurences is used as consensus. Gaps are not included. For example: 10 '-' and one 'A' would give 'A' as consensus. * \param profile The profile. * \param file_name Name of the file to save the consensus sequence in. * \param param_set The parameter of the fastal algorithm. * \return the sequence */ char* profile2consensus(Fastal_profile *profile, char *file_name, Fastal_param *param_set) { FILE *cons_f = fopen(file_name,"w"); fprintf(cons_f, ">%i\n", profile->prf_number); char* seq = vcalloc(profile->length+1, sizeof(char)); int i, j; int most_pos, most; int alphabet_size = param_set->alphabet_size; int **prf = profile->prf; char *pos2char = param_set->pos2char; for (i = 0; i < profile->length; ++i) { most = -1; for (j = 0; j < alphabet_size; ++j) { if (prf[j][i] > most) { most = prf[j][i]; most_pos = j; } } seq[i] = pos2char[most_pos]; fprintf(cons_f, "%c",pos2char[most_pos]); } seq[i] = '\0'; fprintf( cons_f, "\n"); fclose(cons_f); return seq; } /** * \brief Calculates the diagonals between two sequences. * * Uses bl2seq to calculate the diagonals. * \param seq_file1 File with sequence 1. * \param seq_file2 File with sequence 2. * \param diagonals An array where the diagonal points will be stored. * \param dig_length length of \a diagonals . * \param num_points Number of points in all diagonals. * \return number of diagonals; */ int seq_pair2blast_diagonal(char *seq_file_name1, char *seq_file_name2, int **diagonals, int *dig_length, int l1, int l2, int is_dna) { int *diag = vcalloc(l1 + l2, sizeof(int)); char *out_file = vtmpnam(NULL); char blast_command[600]; if (is_dna) sprintf(blast_command, "bl2seq -p blastn -i %s -j %s -D 1 -g F -o %s", seq_file_name1, seq_file_name2, out_file); else sprintf(blast_command, "bl2seq -p blastp -i %s -j %s -D 1 -g F -o %s", seq_file_name1, seq_file_name2, out_file); system(blast_command); int *diags = diagonals[0]; FILE *diag_f = fopen(out_file,"r"); char line[300]; fgets(line, 300, diag_f); fgets(line, 300, diag_f); fgets(line, 300, diag_f); char delims[] = "\t"; char *result = NULL; int length, pos_q, pos_d, i; int current_pos = 0; while (fgets(line, 300, diag_f) != NULL) { strtok(line, delims); strtok(NULL, delims); strtok(NULL, delims); length = atoi(strtok(NULL, delims)); strtok(NULL, delims); strtok(NULL, delims); pos_q = atoi(strtok(NULL, delims))-1; strtok(NULL, delims); pos_d = atoi(strtok(NULL, delims))-1; if (current_pos >= *dig_length) { (*dig_length) += 90; diags = vrealloc(diags, sizeof(int)*(*dig_length)); } if (diag[l1-pos_q+pos_d] == 0) { diag[l1-pos_q+pos_d] =1; diags[current_pos++] = pos_q; diags[current_pos++] = pos_d; diags[current_pos++] = length; } } vfree(diag); fclose(diag_f); diagonals[0] = diags; return current_pos/3; } //******************************* OTHER STUFF *********************** /** * \brief Reads the sequence from a given position in a fasta file and turns it into a profile. * * \param seq_file The file where the sequence is stored. * \param off_set The off_set from the beginning of the file to the position of the sequence name. * \param profile The profile where the sequence will be stored into. * \param prf_number The number of this profile. */ void file_pos2profile(FILE *seq_file, //File with sequences long off_set, //offset of sequence from the beginning of file point to the sequence name, not to the sequence itself Fastal_profile *profile, //profile to save into int prf_number, //number of the profile Fastal_param *param_set) { int alphabet_size = param_set->alphabet_size; profile->is_leaf = 1; int *aa2pos = &(param_set->char2pos[0]); const int LINE_LENGTH = 500; char line[LINE_LENGTH]; profile->num_sequences = 1; profile->prf_number = prf_number; fseek (seq_file , off_set , SEEK_SET ); fgets (line, LINE_LENGTH , seq_file); int seq_length = 0; int i, j; while(fgets(line, LINE_LENGTH, seq_file)!=NULL) { if (line[0] != '>') { line[LINE_LENGTH-1] = '\n'; if (seq_length + LINE_LENGTH >= profile->allocated_memory) { for (i = 0; i < alphabet_size; ++i) { profile->prf[i] = vrealloc(profile->prf[i], (profile->allocated_memory+PROFILE_ENLARGEMENT)*sizeof(int)); } profile->allocated_memory += PROFILE_ENLARGEMENT; } i = 0; while (line[i] != '\n') { for(j = 0; jprf[j][seq_length+i] = 0; profile->prf[aa2pos[toupper(line[i])-'A']][seq_length+i] = 1; ++i; } seq_length += i; } else break; } profile->length = seq_length; } /** * constructs index of fasta_file */ int make_index_of_file(char *file_name, //file with sequences long **file_positions) //array to save the positions { const int LINE_LENGTH = 150; (*file_positions) = vcalloc(ENLARGEMENT_PER_STEP, sizeof(long)); int current_size = ENLARGEMENT_PER_STEP; int current_pos = 0; FILE *file = fopen(file_name,"r"); char *sequence = vcalloc(3*LINE_LENGTH,sizeof(char)); int seq_length=0; int allocated_length=3*LINE_LENGTH; char line[LINE_LENGTH]; int num_of_sequences = 0; int mem_for_pos = ENLARGEMENT_PER_STEP; if (file == NULL) { printf("FILE NOT FOUND\n"); exit(1); } else { (*file_positions)[num_of_sequences] = ftell(file); while(fgets(line, LINE_LENGTH , file)!=NULL) { int length = strlen(line); if (line[0] == '>') { ++num_of_sequences; if (num_of_sequences == mem_for_pos) { (*file_positions) = vrealloc((*file_positions),(ENLARGEMENT_PER_STEP+mem_for_pos) * sizeof(long)); mem_for_pos += ENLARGEMENT_PER_STEP; } } (*file_positions)[num_of_sequences] = ftell(file); } } fclose(file); return num_of_sequences; } /** * reads a profile from a profile_file */ profile_file2profile(Fastal_profile *prof, //structure to save the profile in FILE *profile_f, //file where the profile is stored long position, //position in profile_f where the profile is stored Fastal_param *param_set) { int alphabet_size = param_set->alphabet_size; int *aa2pos = &(param_set->char2pos[0]); fseek(profile_f,position,SEEK_SET); const int LINE_LENGTH = 500; char line[500]; fgets(line, LINE_LENGTH, profile_f); prof->prf_number = atoi(line); // fgets(line, LINE_LENGTH, profile_f); // prof->num_sequences = atoi(line); // fgets(line, LINE_LENGTH, profile_f); //is-dna is already known fgets(line, LINE_LENGTH, profile_f); prof->is_leaf = atoi(line); fgets(line, LINE_LENGTH, profile_f); prof->length = atoi(line); fgets(line, LINE_LENGTH, profile_f); prof->weight = atoi(line); int i,j; if (prof->length > prof->allocated_memory) for (i = 0;i < alphabet_size; ++i) { prof->prf[i] = vrealloc(prof->prf[i],prof->length*sizeof(int)); } char delims[] = " "; char *result = NULL; char *result_num = NULL; int length = prof->length; for (i = 0; i < length; ++i) { for(j = 0; jprf[j][i] = 0; fgets(line, LINE_LENGTH , profile_f); result = strtok( line, delims ); while( result != NULL) { result_num = &result[1]; prof->prf[aa2pos[result[0]-'A']][i] = atoi(result_num); result = strtok( NULL, delims ); } } } /** * writes a profile into a file */ void profile2file(Fastal_profile *profile, //the profile to save FILE* file, //file to save in Fastal_param *param_set) { int alphabet_size = param_set->alphabet_size; char *pos2aa = &(param_set->pos2char[0]); fseek(file,0,SEEK_SET); fprintf(file,"%i\n", profile->prf_number); // fprintf(file,"%i\n", profile->num_sequences); fprintf(file,"%i\n", profile->is_leaf); fprintf(file,"%i\n", profile->length); fprintf(file,"%i\n", profile->weight); int i = 0, j = 0; int max = profile->length; int x= 0; --alphabet_size; while (i < max) { for (j = 0; j < alphabet_size; ++j) if (profile->prf[j][i] > 0) { if (x) fprintf(file," %c%i", pos2aa[j],profile->prf[j][i]); else fprintf(file,"%c%i", pos2aa[j],profile->prf[j][i]); x = 1; } if (profile->prf[j][i] > 0) if (x) fprintf(file," %c%i", pos2aa[j],profile->prf[j][i]); else fprintf(file,"%c%i", pos2aa[j],profile->prf[j][i]); x = 1; x = 0; fprintf(file,"\n"); ++i; } fprintf(file,"*\n"); } /** * Reads the profile out of an alignment */ void file2profile(FILE* profile_f, //file to read the profile of Fastal_profile *prof, //profile saved in here int prf_number, //number of the profile Fastal_param *param_set) { int alphabet_size = param_set->alphabet_size; int *aa2pos = &(param_set->char2pos[0]); fseek(profile_f,0,SEEK_SET); const int LINE_LENGTH = 500; char line[500]; fgets(line, LINE_LENGTH, profile_f); prof->prf_number = atoi(line); // fgets(line, LINE_LENGTH, profile_f); //is-dna is already known fgets(line, LINE_LENGTH, profile_f); prof->is_leaf = atoi(line); fgets(line, LINE_LENGTH, profile_f); prof->length = atoi(line); fgets(line, LINE_LENGTH, profile_f); prof->weight = atoi(line); int i,j; if (prof->length > prof->allocated_memory) for (i = 0;i < alphabet_size; ++i) { prof->prf[i] = vrealloc(prof->prf[i],prof->length*sizeof(int)); } char delims[] = " "; char *result = NULL; char *result_num = NULL; int length = prof->length; for (i = 0; i < length; ++i) { for(j = 0; jprf[j][i] = 0; fgets(line, LINE_LENGTH , profile_f); result = strtok( line, delims ); while( result != NULL) { result_num = &result[1]; prof->prf[aa2pos[result[0]-'A']][i] = atoi(result_num); result = strtok( NULL, delims ); } } } /** * This method takes a profile and turns it into a sumed up version of same size. */ int** sumup_profile(Fastal_profile *profile, //profile to sum-up int **sumup, Fastal_param *param_set) //summed_up_profile { char *pos2aa = &(param_set->pos2char[0]); int alphabet_size = param_set->alphabet_size; int **M = param_set->M; int prof_length = profile->length; int i,j,k; for (i = 0; i < prof_length; ++i) { sumup[alphabet_size][i] = 0; for (k = 0; k < alphabet_size; ++k) { sumup[k][i] = 0; sumup[alphabet_size][i] += profile->prf[k][i]; for (j = 0; j < alphabet_size; ++j) { sumup[k][i] += profile->weight * profile->prf[j][i] * M[pos2aa[j]-'A'][pos2aa[k]-'A']; } } } return sumup; } /** * Turns the dynamic programming matrix into a editfile and calculates the new profile */ int nw_matrix2edit_file(double **prog_matrix, //dynamic programming matrix Fastal_profile *prf1, //profile of dim1 Fastal_profile *prf2, //profile of dim2 FILE *edit_f, //file to safe the edit in int **prf_field, //space to safe the new profile int *field_length, Fastal_param *param_set) //length of prf_field { int **M = param_set->M; int alphabet_size = param_set->alphabet_size; double gap_cost = param_set -> gop; fprintf(edit_f, "%i\n%i\n%i\n%i\n",prf1->prf_number, prf2->prf_number, prf1->is_leaf, prf2->is_leaf); int sum[] = {0,0,0}; char sumc[] = {'M','I','D'}; int last = 0; int n = 0; int m = 0; int field_pos = 0; int i; int prf1_length = prf1->length; int prf2_length = prf2->length; while ((n < prf1_length) && (m < prf2_length)) { //if necesarry allocate more memory for result if ((*field_length)-alphabet_size < field_pos) { (*field_length) += ENLARGEMENT_PER_STEP; for (i = 0; i prf[i][n]; } ++n; ++ field_pos; if (last != 1) { fprintf(edit_f,"%c%i\n",sumc[last],sum[last]); sum[last] = 0; } last = 1; ++sum[last]; } else if (prog_matrix[n][m] == (prog_matrix[n][m+1] +gap_cost)) { for (i = 0; iprf[i][m]; } ++m; ++ field_pos; if (last != 2) { fprintf(edit_f,"%c%i\n",sumc[last],sum[last]); sum[last] = 0; } last = 2; ++sum[last]; } else { for (i = 0; iprf[i][n] + prf2->prf[i][m]; } ++n; ++m; ++ field_pos; if (last != 0) { fprintf(edit_f,"%c%i\n",sumc[last],sum[last]); sum[last] = 0; } last = 0; ++sum[last]; } } fprintf(edit_f,"%c%i\n",sumc[last],sum[last]); //gaps in prf2 last = 0; while (n < prf1_length) { for (i = 0; iprf[i][n]; } ++n; ++ field_pos; ++last; } if (last > 0) fprintf(edit_f,"I%i\n",last); //gaps in prf1 last = 0; while (m < prf2_length) { for (i = 0; iprf[i][m]; } ++m; ++ field_pos; ++last; } if (last > 0) fprintf(edit_f,"D%i\n",last); fprintf(edit_f,"*\n"); return field_pos; } /** * \brief Pairwise alignments of profile is done here. * * \param profile1 Profile of sequence 1 * \param profile2 Profile of sequence 2 * \param prog_matrix Matrix for dynamic programming * \param edit_file_name The edit_file_name * \param sumup_prf The sumup version of profile 1, which later contains the aligned profile. * \param sumup_length Contains the length of the aligned profile. * \return length of the aligned profile */ int prf_nw(Fastal_profile *profile1, //profile of sequence 1 Fastal_profile *profile2, //profile of sequence 2 double **prog_matrix, //matrix for dynamic programming (at least as long as necessary for alignment) FILE *edit_file_name, //name of edit file int **sumup_prf, //sum_up int *sumup_length, Fastal_param *param_set) //sum_up length { int alphabet_size = param_set->alphabet_size; double gap_cost = param_set->gop; int i; if (*sumup_length < profile1->length) { for (i = 0; i < alphabet_size+1; ++i) { sumup_prf[i] = vrealloc(sumup_prf[i], profile1->length*sizeof(int)); } *sumup_length = profile1->length; } sumup_prf = sumup_profile(profile1, sumup_prf, param_set); int j,k; int prof1_length = profile1->length; int prof2_length = profile2->length; int** M = param_set->M; double match_score; int amino_counter; int residue_pairs = 0; for (i = prof2_length; i > 0; --i) { prog_matrix[prof1_length][i] = gap_cost * (prof2_length-i); } i = prof1_length-1; prog_matrix[prof1_length][prof2_length] = 0.0; while (i >=0) { j = prof2_length-1; prog_matrix[i][prof2_length] = gap_cost*(prof1_length-i); while (j >=0) { match_score = 0.0; residue_pairs = 0; for (k = 0; k < alphabet_size; ++k) { residue_pairs += profile2->prf[k][j]; match_score += (profile2->prf[k][j] * sumup_prf[k][i]); } match_score /= (residue_pairs * sumup_prf[alphabet_size][i]); prog_matrix[i][j] = MAX3(prog_matrix[i+1][j+1]+match_score, prog_matrix[i+1][j]+gap_cost, prog_matrix[i][j+1]+gap_cost); --j; } --i; } return nw_matrix2edit_file(prog_matrix, profile1, profile2, edit_file_name, sumup_prf, sumup_length, param_set); } /** * \brief Writes the sequence into the alignment_file. * * \param aligned_sequence Pattern of aligned sequence. * \param sequence_file File with sequences. * \param sequence_position Positions of sequences in \a sequence_file. * \param alignment_file The file to write the sequence into. * */ void edit_seq2aligned_seq(char *aligned_sequence, //pattern for aligned sequence FILE *sequence_file, //file with all the sequences long sequence_position, //position in sequence file with the correct sequence FILE *alignment_file) //file to write the alignment into { fseek(sequence_file, sequence_position, SEEK_SET); const int LINE_LENGTH = 300; char line[LINE_LENGTH]; fgets (line, LINE_LENGTH , sequence_file); fprintf(alignment_file,"%s", line); //writing of sequence name int pos = 0; int i = 0; while(fgets(line, LINE_LENGTH, sequence_file)!=NULL) { if (line[0] != '>') { line[LINE_LENGTH-1] = '\n'; i = 0; while (line[i] != '\n') { while (aligned_sequence[pos] == '-') { fprintf(alignment_file,"-"); ++pos; } fprintf(alignment_file,"%c",line[i]); ++i; ++pos; } } else break; } while (aligned_sequence[pos] != '\n') { fprintf(alignment_file,"-"); ++pos; } fprintf(alignment_file,"\n"); } /** * \brief Recursive function to turn the edit_file into the alignment. * * \param sequence_file File with all sequences. * \param sequence_position The array of sequence positions in \a sequence_file * \param edit_file File to safe the edit profiles in. * \param edit_positions Array saving the coorespondence between edit profile and position in \a edit_file * \param node_number The current node. * \param number_of_sequences The number of sequences. * \param aligned_sequence The sequence that is edited. * \param alignment_length The length of the alignment. * \param edit_seq_file File that saves the edited_sequences of the internal nodes. * \param offset Saves the size of the edited_sequences. * \param alignment_file File where the alignment is saved. * */ void edit2alignment(FILE *sequence_file, //sequence file long *seq_positions, //sequence positions FILE *edit_file, //file saving the edit profiles long *edit_positions, //array saving the correspondence between edit profile and position in edit_file int node_number, //the current node int number_of_sequences, //number of sequences char *aligned_sequence, //the sequence that is edited int alignment_length, //length of the alignment - and thus of aligned_sequence FILE *edit_seq_file, //file saving the edited_sequences of the internal nodes int offset, //saves the size of the edited_sequence FILE* alignment_file) //file saving the alignments { fseek(edit_file, edit_positions[node_number-number_of_sequences], SEEK_SET); const LINE_LENGTH = 50; char line[LINE_LENGTH]; fgets(line, LINE_LENGTH , edit_file); int child1 = atoi(line); fgets(line, LINE_LENGTH , edit_file); int child2 = atoi(line); fgets(line, LINE_LENGTH , edit_file); int is_leaf1 = atoi(line); fgets(line, LINE_LENGTH , edit_file); int is_leaf2 = atoi(line); static char seq_line[10]; char x; int number; int pos = 0; //first child while(fgets(line, LINE_LENGTH , edit_file)!=NULL) { x = line[0]; if (x == '*') break; number = atoi(&line[1]); if (x == 'M') { while (number > 0) { if (aligned_sequence[pos] == 'X') --number; ++pos; } } else if (x == 'I') { while (number > 0) { if (aligned_sequence[pos] == 'X') --number; ++pos; } } else if (x == 'D') { while (number > 0) { if (aligned_sequence[pos] == 'X') { aligned_sequence[pos] = '-'; --number; } ++pos; } } } if (is_leaf1) { edit_seq2aligned_seq(aligned_sequence, sequence_file, seq_positions[child1], alignment_file); } else { fprintf(edit_seq_file, "%s", aligned_sequence); edit2alignment(sequence_file, seq_positions, edit_file, edit_positions, child1, number_of_sequences, aligned_sequence, alignment_length, edit_seq_file, offset, alignment_file); } //second child fseek(edit_seq_file, offset, SEEK_CUR); fgets(aligned_sequence, alignment_length+3, edit_seq_file); fseek(edit_seq_file, offset, SEEK_CUR); pos = 0; fseek(edit_file, edit_positions[node_number-number_of_sequences], SEEK_SET); while(fgets(line, LINE_LENGTH , edit_file)!=NULL) { x = line[0]; if (x == '*') break; number = atoi(&line[1]); if (x == 'M') { while (number > 0) { if (aligned_sequence[pos] == 'X') --number; ++pos; } } else if (x == 'I') { while (number > 0) { if (aligned_sequence[pos] == 'X') { aligned_sequence[pos] = '-'; --number; } ++pos; } } else if (x == 'D') { while (number > 0) { if (aligned_sequence[pos] == 'X') --number; ++pos; } } } if (is_leaf2) { edit_seq2aligned_seq(aligned_sequence, sequence_file, seq_positions[child2], alignment_file); } else { fprintf(edit_seq_file, "%s", aligned_sequence); edit2alignment(sequence_file, seq_positions, edit_file, edit_positions, child2, number_of_sequences, aligned_sequence, alignment_length, edit_seq_file, offset, alignment_file); } } // * The file has the follwing format (# and text behind are only comments and not included into the file): // * 1 # Number of profile. // * 1 # is DNA or not. // * 5 # Number of columns in the profile. // * 4A 1C # In this column are 4 'A' and 1 'C' // * 3G # In this column are 3 'G' // * 5A # In this column are 5 'A' // * 2A 3C # In this column are 2 'A' and 3 'C' // * 5C # In this column are 5 'C' // * * # Marks the end of this profile /** * \brief Writes a profile to a file. * * \param sumup_prf The profile array, not a real profile. * \param length The length of the profile. * \param file The FILE object to write the the profile into. * \param is_dna The type of sequence. * \param number The number of the profile. */ void write2file(int **sumup_prf, int length, FILE *file, int number, Fastal_param *param_set) { char *pos2aa = &(param_set->pos2char[0]); fprintf(file,"%i\n0\n%i\n1\n",number, length ); int i, j; int alphabet_size = param_set->alphabet_size; i = 0; int x = 0; while (i < length) { for (j = 0; j < alphabet_size; ++j) if (sumup_prf[j][i] > 0) { if (x) fprintf(file," %c%i", pos2aa[j],sumup_prf[j][i]); else fprintf(file,"%c%i", pos2aa[j],sumup_prf[j][i]); x = 1; } // x = 1; x = 0; fprintf(file,"\n"); ++i; } fprintf(file,"*\n"); } /** * main of the fastal algorithm */ int fastal(int argc, //number of arguments char **argv) //arguments first = fastal, second = tree { int test; for (test = 0; test < argc; ++test) { printf("%s\n",argv[test]); } struct fastal_arguments arguments; arguments.output_file = "out.aln"; arguments.tree_file = NULL; arguments.gep = -1; arguments.gop = -10; arguments.method = "fast"; // argp_parse (&argp, argc, argv, 0, 0, &arguments); Fastal_param *param_set = vcalloc(1,sizeof(Fastal_param)); fill_parameters(arguments.is_dna, param_set, arguments.method); param_set->gep = arguments.gep; param_set->gop = arguments.gop; int alphabet_size = param_set->alphabet_size; //sequence file management char **seq_name; long *file_positions = NULL; long **tmp = &file_positions; int number_of_sequences = make_index_of_file(arguments.sequence_file, tmp); FILE *seq_file = fopen(arguments.sequence_file,"r"); //edit file management FILE *edit_file = fopen("edit_tmp","w+"); long current_edit_pos; long *edit_positions = vcalloc(number_of_sequences,sizeof(long)); //profile management Fastal_profile **profiles = vcalloc(3,sizeof(Fastal_profile*)); initiate_profiles(profiles, param_set); FILE * prof_file = fopen("prf_tmp","w+"); long* profile_positions = vcalloc(4,sizeof(long*)); int max_prof = 4; int saved_prof = 0; //dynamic programming matrix double ** dyn_matrix = vcalloc(1,sizeof(double*)); dyn_matrix[0] = vcalloc(1,sizeof(double)); int *length1 = vcalloc(1,sizeof(int)); int *length2 = vcalloc(1,sizeof(int)); *length1 = 1; *length2 = 2; int i; int **sumup_prf = vcalloc(alphabet_size+1,sizeof(int*)); for (i = 0; i < alphabet_size+1; ++i) sumup_prf[i] = vcalloc(1,sizeof(int)); int *sumup_length = vcalloc(1,sizeof(int)); *sumup_length = 1; if (arguments.tree_file == NULL) { arguments.tree_file = "HUMAN.tree"; printf("CONSTRUCT TREE\n"); make_partTree(arguments.sequence_file, arguments.tree_file, 4, 20); } printf("CONSTRUCT ALIGNMENT\n"); //tree file management FILE *tree_file = fopen(arguments.tree_file,"r"); const int LINE_LENGTH = 100; char line[LINE_LENGTH]; char delims[] = " "; int node[3]; char *result = NULL; int j; int alignment_length; //memory for sparse dynamic int *diagonals = vcalloc(3,sizeof(int)); int *dig_length = vcalloc(1,sizeof(int)); *dig_length = 3; int **list = NULL;//vcalloc(1,sizeof(int*)); // list[0] = vcalloc(7,sizeof(int)); int *list_length = vcalloc(1,sizeof(int)); *list_length = 0; int ***list_p = vcalloc(1,sizeof(int**)); //bottom-up traversal while(fgets(line, LINE_LENGTH, tree_file)!=NULL) { //read profiles node[0] = atoi(strtok(line,delims)); node[1] = atoi(strtok(NULL,delims)); node[2] = atoi(strtok(NULL,delims)); //getting profile of second child if (node[1] < number_of_sequences) { file_pos2profile(seq_file, file_positions[node[1]], profiles[1], node[1], param_set); //profile to save into } else { profile_file2profile(profiles[1], prof_file, profile_positions[--saved_prof], param_set); fseek (prof_file , profile_positions[saved_prof] , SEEK_SET); } //getting profile of first child if (node[0] < number_of_sequences) { file_pos2profile(seq_file, file_positions[node[0]], profiles[0], node[0], param_set); //profile to save into } else { profile_file2profile(profiles[0], prof_file, profile_positions[--saved_prof], param_set); fseek (prof_file , profile_positions[saved_prof] , SEEK_SET); } if (saved_prof == max_prof) { max_prof += 5; profile_positions = vrealloc(profile_positions, max_prof*sizeof(long)); } edit_positions[node[2]-number_of_sequences] = ftell(edit_file); profile_positions[saved_prof] = ftell(prof_file); ++saved_prof; if (!strcmp(param_set->method,"nw")) { dyn_matrix = resize_dyn_matrix(dyn_matrix, length1, length2, profiles[0]->length+1, profiles[1]->length+1); alignment_length = prf_nw(profiles[0], profiles[1], dyn_matrix, edit_file, sumup_prf, sumup_length, param_set); write2file(sumup_prf, alignment_length, prof_file, node[2], param_set); } else if (!strcmp(param_set->method, "fast")) { char *file_name1 = vtmpnam(NULL); char *file_name2 = vtmpnam(NULL); char *seq1 = profile2consensus(profiles[0], file_name1, param_set); char *seq2 = profile2consensus(profiles[1], file_name2, param_set); int **diagonals_p = &diagonals; int num_diagonals = seq_pair2blast_diagonal(file_name1, file_name2, diagonals_p, dig_length, strlen(seq1),strlen(seq2), arguments.is_dna); diagonals = diagonals_p[0]; char *p = ¶m_set->pos2char[0]; list = diagonals2int(diagonals, num_diagonals, seq1, seq2, list_length, param_set);//, profiles[0], profiles[1], p); alignment_length = list2linked_pair_wise_fastal(profiles[0], profiles[1], param_set, list, *list_length, edit_file, prof_file, node[2]); int x; for (x = 0; x < *list_length; ++x) { vfree(list[x]); } vfree(list); list = NULL; vfree(seq1); vfree(seq2); } } //free_memory & close files vfree(diagonals); fclose(tree_file); fclose(prof_file); free_fastal_profile(profiles[0], alphabet_size); free_fastal_profile(profiles[1], alphabet_size); vfree(profiles); vfree(profile_positions); free_dyn_matrix(*length1,dyn_matrix); for (i = 0; i <= alphabet_size; ++i) { vfree(sumup_prf[i]); } vfree(sumup_prf); vfree(param_set); //bottom-down traversal (edit_files --> alignment) char file_name[FILENAMELEN]; sprintf(file_name,arguments.output_file); FILE *alignment_file = fopen(file_name, "w"); FILE *edit_seq_file = fopen("edit_seq.tmp","w+"); char *aligned_sequence = vcalloc(alignment_length+3, sizeof(char)); long offset = ftell(edit_seq_file); for (i = 0; i < alignment_length; ++i) { fprintf(edit_seq_file, "X"); aligned_sequence[i] = 'X'; } aligned_sequence[i]= '\n'; aligned_sequence[i+1]= '\0'; fprintf(edit_seq_file, "\n"); offset = (ftell(edit_seq_file) - offset)*-1; edit2alignment(seq_file, file_positions, edit_file, edit_positions, node[2], number_of_sequences, aligned_sequence, alignment_length, edit_seq_file, offset, alignment_file); //free_memory & close files vfree(edit_positions); fclose(edit_file); fclose(seq_file); return 0; } //****************** toolbox *************************** /** * enlargement of the dynamic programming matrix in case it is to small. */ double** resize_dyn_matrix(double **dyn_matrix, //the dynamic programming matrix int *old_length1, //old length of dimension 1 int *old_length2, //old length of dimension 2 int length1, //new minimum length of dimension 1 int length2) //new maximum length of dimension 2 { int i; if (*old_length1 < length1) { dyn_matrix = vrealloc(dyn_matrix,length1*sizeof(double*)); for (i = *old_length1; i < length1; ++i) dyn_matrix[i] = vcalloc(*old_length2,sizeof(double)); *old_length1 = length1; } if (*old_length2 < length2) { for (i = 0;i<*old_length1; ++i) dyn_matrix[i] = vrealloc(dyn_matrix[i], length2*sizeof(double)); *old_length2 = length2; } return dyn_matrix; } /** * frees the memory of a dynamic programming matrix */ void free_dyn_matrix(int length1, //length of first dimension double **dyn_matrix) //dynamic matrix { int i = 0; for (; ialphabet_size; int i,j; for (i =0; i < 3; ++i) { profiles[i] = vcalloc(1,sizeof(Fastal_profile)); profiles[i]->weight = 1; profiles[i]->is_leaf = 1; profiles[i]->prf = vcalloc(alphabet_size, sizeof(int*)); for (j = 0; j < alphabet_size; ++j) { profiles[i]->prf[j] = vcalloc(PROFILE_ENLARGEMENT, sizeof(int)); } profiles[i]->allocated_memory = PROFILE_ENLARGEMENT; } } /** * initalises the files where the profiles are temporarly stored. */ void initiate_profile_files(FILE **profile_files) { char names[10]; int i = 0; for (;i < 4; ++i) { sprintf(names,"tmp_prf_%i",i); profile_files[i] = fopen(names,"w+"); } } /** * frees all memory occupied by the profile */ void free_fastal_profile(Fastal_profile* profile, int alphabet_size) { --alphabet_size; for (;alphabet_size >= 0; --alphabet_size) vfree(profile->prf[alphabet_size]); vfree(profile->prf); } /** * initialize the parameters */ void fill_parameters(int is_dna, Fastal_param *param_set, char *method) { sprintf(param_set->method,"%s",method); int i; if (is_dna) { param_set->alphabet_size = 10; char tmp1[] = {'A','C','G','T','N','R','Y','D','M','W'}; int tmp2[] = { 0, -1, 1, 7, -1, -1, 2, -1, -1, -1, -1, -1, 8, 4, -1, -1, -1, 5, -1, 3, -1, -1, 9, -1, 6, -1}; for (i = 0; ialphabet_size; ++i) param_set->pos2char[i] = tmp1[i]; for (i = 0; i<26; ++i) param_set->char2pos[i] = tmp2[i]; param_set->M = read_matrice("dna_idmat"); } else { param_set->alphabet_size = 24; char tmp1[] = {'A','C','G','T','F','D','H','I','K','L','M','N','P','Q','R','S','E','V','W','Y','B','J','X','Z'}; int tmp2[] = { 0, 20, 1, 5, 16, 4, 2, 6, 7, 21, 8, 9, 10, 11, -1, 12, 13, 14, 15, 3, -1, 17, 18,22, 19,23}; for (i = 0; ialphabet_size; ++i) param_set->pos2char[i] = tmp1[i]; for (i = 0; i<26; ++i) param_set->char2pos[i] = tmp2[i]; param_set->M = read_matrice("blosum62mt"); } } /*********************************COPYRIGHT NOTICE**********************************/ /*© Centro de Regulacio Genomica */ /*and */ /*Cedric Notredame */ /*Tue Oct 27 10:12:26 WEST 2009. */ /*All rights reserved.*/ /*This file is part of T-COFFEE.*/ /**/ /* T-COFFEE is free software; you can redistribute it and/or modify*/ /* it under the terms of the GNU General Public License as published by*/ /* the Free Software Foundation; either version 2 of the License, or*/ /* (at your option) any later version.*/ /**/ /* T-COFFEE is distributed in the hope that it will be useful,*/ /* but WITHOUT ANY WARRANTY; without even the implied warranty of*/ /* MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the*/ /* GNU General Public License for more details.*/ /**/ /* You should have received a copy of the GNU General Public License*/ /* along with Foobar; if not, write to the Free Software*/ /* Foundation, Inc., 59 Temple Place, Suite 330, Boston, MA 02111-1307 USA*/ /*............................................... |*/ /* If you need some more information*/ /* cedric.notredame@europe.com*/ /*............................................... |*/ /**/ /**/ /* */ /*********************************COPYRIGHT NOTICE**********************************/