static int gt_condenser_search_runner(GT_UNUSED int argc, GT_UNUSED const char **argv, GT_UNUSED int parsed_args, void *tool_arguments, GtError *err) { GtCondenserSearchArguments *arguments = tool_arguments; int i, had_err = 0; char *querypath = gt_str_get(arguments->querypath); GtStr* coarse_fname = gt_str_new_cstr("coarse_"); char *db_basename = NULL; char *suffix_ptr = NULL; GtTimer *timer = NULL; GtLogger *logger = NULL; gt_error_check(err); gt_assert(arguments); logger = gt_logger_new(arguments->verbose, GT_LOGGER_DEFLT_PREFIX, stderr); db_basename = gt_basename(gt_str_get(arguments->dbpath)); /* if first char is '.' this might be a hidden file */ if (strlen(db_basename) > (size_t) 1 && (suffix_ptr = strrchr(db_basename + 1, '.')) != NULL) { /* remove suffix */ *suffix_ptr = '\0'; } gt_str_append_cstr(coarse_fname, db_basename); gt_str_append_cstr(coarse_fname, ".fas"); gt_free(db_basename); db_basename = NULL; suffix_ptr = NULL; if (arguments->blastn || arguments->blastp) { GtMatch *match; GtMatchIterator *mp = NULL; GtNREncseq *nrencseq = NULL; GtStr *fastaname = gt_str_clone(arguments->dbpath); HitPosition *hits; double eval, raw_eval = 0.0; GtUword coarse_db_len = 0; GtMatchIteratorStatus status; int curr_hits = 0, max_hits = 100; hits = gt_malloc(sizeof (*hits) * (size_t) max_hits); gt_str_append_cstr(fastaname, ".fas"); for (i=0; i < max_hits; i++) { hits[i].range = gt_malloc(sizeof (*hits[i].range) * (size_t) 1); } if (gt_showtime_enabled()) { timer = gt_timer_new_with_progress_description("initialization"); gt_timer_start(timer); } /*extract sequences from compressed database*/ if (!had_err) { nrencseq = gt_n_r_encseq_new_from_file(gt_str_get(arguments->dbpath), logger, err); if (nrencseq == NULL) had_err = -1; } if (!had_err) { if (arguments->ceval == GT_UNDEF_DOUBLE || arguments->feval == GT_UNDEF_DOUBLE) { /* from NCBI BLAST tutorial: E = Kmne^{-lambdaS} calculates E-value for score S with natural scale parameters K for search space size and lambda for the scoring system E = mn2^-S' m being the subject (total) length, n the length of ONE query calculates E-value for bit-score S' */ GtFastaReader *reader; GtCondenserSearchAvg avg = {0,0}; reader = gt_fasta_reader_rec_new(arguments->querypath); had_err = gt_fasta_reader_run(reader, NULL, NULL, gt_condenser_search_cum_moving_avg, &avg, err); if (!had_err) { GtUword S = arguments->bitscore; gt_log_log(GT_WU " queries, avg query size: " GT_WU, avg.count, avg.avg); raw_eval = 1/pow(2.0, (double) S) * avg.avg; gt_logger_log(logger, "Raw E-value set to %.4e", raw_eval); gt_assert(avg.avg != 0); } gt_fasta_reader_delete(reader); } } /*create BLAST database from compressed database fasta file*/ if (!had_err) { if (timer != NULL) gt_timer_show_progress(timer, "create coarse BLAST db", stderr); if (arguments->blastn) had_err = gt_condenser_search_create_nucl_blastdb(gt_str_get(fastaname), err); else had_err = gt_condenser_search_create_prot_blastdb(gt_str_get(fastaname), err); } if (!had_err) { GtBlastProcessCall *call; if (timer != NULL) gt_timer_show_progress(timer, "coarse BLAST run", stderr); if (arguments->blastp) call = gt_blast_process_call_new_prot(); else call = gt_blast_process_call_new_nucl(); gt_blast_process_call_set_db(call, gt_str_get(fastaname)); gt_blast_process_call_set_query(call, querypath); gt_blast_process_call_set_evalue(call, arguments->ceval); gt_blast_process_call_set_num_threads(call, arguments->blthreads); mp = gt_match_iterator_blast_process_new(call, err); if (!mp) had_err = -1; gt_blast_process_call_delete(call); while (!had_err && (status = gt_match_iterator_next(mp, &match, err)) != GT_MATCHER_STATUS_END) { if (status == GT_MATCHER_STATUS_OK) { GtUword hit_seq_id; char string[7]; const char *dbseqid = gt_match_get_seqid2(match); if (sscanf(dbseqid,"%6s" GT_WU, string, &hit_seq_id) == 2) { gt_match_get_range_seq2(match, hits[curr_hits].range); hits[curr_hits].idx = hit_seq_id; gt_match_delete(match); curr_hits++; if (curr_hits == max_hits) { HitPosition *hit_extention; max_hits += 100; hits = gt_realloc(hits, sizeof (*hit_extention) * max_hits); for (i=max_hits - 100; i < max_hits; i++) { hits[i].range = gt_malloc(sizeof (*hits[i].range)); } } } else { gt_error_set(err, "could not parse unique db header %s", dbseqid); had_err = -1; } } else if (status == GT_MATCHER_STATUS_ERROR) { had_err = -1; } } gt_match_iterator_delete(mp); } /*extract sequences*/ if (!had_err) { GtNREncseqDecompressor *decomp; GtFile *coarse_hits; if (timer != NULL) gt_timer_show_progress(timer, "extract coarse search hits", stderr); decomp = gt_n_r_encseq_decompressor_new(nrencseq); coarse_hits = gt_file_new(gt_str_get(coarse_fname),"w", err); /* TODO DW do NOT extract complete uniques! these could be complete chromosomes!! just extract something around it? maybe +- max query length*/ for (i = 0; i < curr_hits; i++) { gt_n_r_encseq_decompressor_add_unique_idx_to_extract(decomp, hits[i].idx); } had_err = gt_n_r_encseq_decompressor_start_unique_extraction(coarse_hits, decomp, &coarse_db_len, err); gt_assert(coarse_db_len != 0); gt_file_delete(coarse_hits); gt_n_r_encseq_decompressor_delete(decomp); } gt_n_r_encseq_delete(nrencseq); /* create BLAST database from decompressed database file */ if (!had_err) { if (timer != NULL) gt_timer_show_progress(timer, "create fine BLAST db", stderr); if (arguments->blastn) had_err = gt_condenser_search_create_nucl_blastdb(gt_str_get(coarse_fname), err); else had_err = gt_condenser_search_create_prot_blastdb(gt_str_get(coarse_fname), err); } /* perform fine BLAST search */ if (!had_err) { GtBlastProcessCall *call; if (timer != NULL) gt_timer_show_progress(timer, "fine BLAST run", stderr); if (arguments->feval == GT_UNDEF_DOUBLE) { eval = raw_eval * coarse_db_len; } else { eval = arguments->feval; } if (arguments->blastp) call = gt_blast_process_call_new_prot(); else call = gt_blast_process_call_new_nucl(); gt_blast_process_call_set_db(call, gt_str_get(coarse_fname)); gt_blast_process_call_set_query(call, querypath); gt_blast_process_call_set_evalue(call, eval); gt_blast_process_call_set_num_threads(call, arguments->blthreads); gt_logger_log(logger, "Fine E-value set to: %.4e (len)" GT_WU, eval, coarse_db_len); mp = gt_match_iterator_blast_process_new(call, err); if (!mp) had_err = -1; gt_blast_process_call_delete(call); if (!had_err) { GtUword numofhits = 0; while (!had_err && (status = gt_match_iterator_next(mp, &match, err)) != GT_MATCHER_STATUS_END) { if (status == GT_MATCHER_STATUS_OK) { GtMatchBlast *matchb = (GtMatchBlast*) match; char *dbseqid = gt_malloc(sizeof (*dbseqid) * 50); GtRange range_seq1; GtRange range_seq2; numofhits++; gt_match_get_range_seq1(match, &range_seq1); gt_match_get_range_seq2(match, &range_seq2); gt_file_xprintf( arguments->outfp, "%s\t%s\t%.2f\t" GT_WU "\t" GT_WU "\t" GT_WU "\t" GT_WU "\t" GT_WU "\t%g\t%.3f\n", gt_match_get_seqid1(match), gt_match_get_seqid2(match), gt_match_blast_get_similarity(matchb), gt_match_blast_get_align_length(matchb), range_seq1.start, range_seq1.end, range_seq2.start, range_seq2.end, gt_match_blast_get_evalue(matchb), (double) gt_match_blast_get_bitscore(matchb)); gt_match_delete(match); gt_free(dbseqid); } else if (status == GT_MATCHER_STATUS_ERROR) { had_err = -1; } } gt_log_log(GT_WU " hits found\n", numofhits); } gt_match_iterator_delete(mp); } if (!had_err) if (timer != NULL) gt_timer_show_progress_final(timer, stderr); gt_timer_delete(timer); /*cleanup*/ for (i=0; i < max_hits; i++) { gt_free(hits[i].range); } gt_free(hits); gt_str_delete(fastaname); } gt_str_delete(coarse_fname); gt_logger_delete(logger); return had_err; }
static int process_feature(GtLTRClusterStream *lcs, const char *feature, GtError *err) { GtArray *matches; GtMatchIterator *mi = NULL; GtMatch *match = NULL; GtMatchIteratorStatus status; GtEncseq *encseq; unsigned long i; int had_err = 0; if (lcs->current_state != NULL) { char tmp[BUFSIZ]; gt_free(*lcs->current_state); (void) snprintf(tmp, BUFSIZ, "Clustering feature: %s", feature); *lcs->current_state = gt_cstr_dup(tmp); } matches = gt_array_new(sizeof(GtMatch*)); encseq = (GtEncseq*) gt_hashmap_get(lcs->feat_to_encseq, feature); gt_log_log("found encseq %p for feature %s", encseq, feature); if (!had_err) { mi = gt_match_iterator_last_new(encseq, encseq, lcs->match_score, lcs->mismatch_cost, lcs->gap_open_cost, lcs->gap_ext_cost, lcs->xdrop, lcs->ydrop, lcs->zdrop, lcs->k, lcs->mscoregapped, lcs->mscoregapless, err); if (mi != NULL) { while ((status = gt_match_iterator_next(mi, &match, err)) != GT_MATCHER_STATUS_END) { if (status == GT_MATCHER_STATUS_OK) { gt_array_add(matches, match); } else { gt_assert(status == GT_MATCHER_STATUS_ERROR); had_err = -1; break; } } } else had_err = -1; } if (!had_err) { GtClusteredSet *cs; GtHashmap *seqdesc2seqnum; GtMatch *tmp_match; const char *description; char *output; unsigned long desclen, num_of_seq; seqdesc2seqnum = gt_hashmap_new(GT_HASH_STRING, free_hash, NULL); num_of_seq = gt_encseq_num_of_sequences(encseq); for (i = 0; i < num_of_seq; i++) { description = gt_encseq_description(encseq, &desclen, i); output = gt_calloc((size_t) (desclen + 1), sizeof (char)); strncpy(output, description, (size_t) desclen); output[desclen] = '\0'; gt_hashmap_add(seqdesc2seqnum, (void*) gt_cstr_dup(output), (void*) (i + 1)); gt_free(output); } cs = gt_clustered_set_union_find_new(num_of_seq, err); if (cs != NULL) { if (cluster_sequences(matches, cs, seqdesc2seqnum, (unsigned) lcs->psmall, (unsigned) lcs->plarge, encseq, err) != 0) { had_err = -1; } if (!had_err) { (void) cluster_annotate_nodes(cs, encseq, feature, lcs->nodes, err); } } else had_err = -1; for (i = 0; i < gt_array_size(matches); i++) { tmp_match = *(GtMatch**) gt_array_get(matches, i); gt_match_delete(tmp_match); } gt_array_delete(matches); matches = NULL; gt_hashmap_delete(seqdesc2seqnum); gt_clustered_set_delete(cs, err); } gt_match_iterator_delete(mi); return had_err; }