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/* Philip T.L.C. Clausen Jan 2017 plan@dtu.dk */
/*
* Copyright (c) 2017, Philip Clausen, Technical University of Denmark
* All rights reserved.
*
* Licensed under the Apache License, Version 2.0 (the "License");
* you may not use this file except in compliance with the License.
* You may obtain a copy of the License at
*
* http://www.apache.org/licenses/LICENSE-2.0
*
* Unless required by applicable law or agreed to in writing, software
* distributed under the License is distributed on an "AS IS" BASIS,
* WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
* See the License for the specific language governing permissions and
* limitations under the License.
*/
#define _XOPEN_SOURCE 600
#include <math.h>
#include <stdio.h>
#include <time.h>
#include "nw.h"
#include "penalties.h"
#include "pherror.h"
#include "threader.h"
#include "version.h"
#include "xml.h"
void initXML(FILE *out, const char *templatefilename, const unsigned totFrags, int argc, char **argv) {
fprintf(out, "<?xml version=\"1.0\"?>\n");
fprintf(out, "<!DOCTYPE BlastOutput PUBLIC \"-//NCBI//NCBI BlastOutput/EN\" \"http://www.ncbi.nlm.nih.gov/dtd/NCBI_BlastOutput.dtd\">\n");
fprintf(out, "<BlastOutput>\n");
fprintf(out, "\t<BlastOutput_program>kma</BlastOutput_program>\n");
fprintf(out, "\t<BlastOutput_version>KMA %s</BlastOutput_version>\n", KMA_VERSION);
fprintf(out, "\t<BlastOutput_reference>Philip T.L.C. Clausen, Frank M. Aarestrup & Ole Lund, \"Rapid and precise alignment of raw reads against redundant databases with KMA\", BMC Bioinformatics, 2018;19:307.</BlastOutput_reference>\n");
fprintf(out, "\t<BlastOutput_db>%s</BlastOutput_db>\n", templatefilename);
fprintf(out, "\t<BlastOutput_query-ID>kma-%s-%ld</BlastOutput_query-ID>\n", templatefilename, time(NULL));
fprintf(out, "\t<BlastOutput_query-def>%s</BlastOutput_query-def>\n", "nucl");
fprintf(out, "\t<BlastOutput_query-len>%d</BlastOutput_query-len>\n", totFrags);
fprintf(out, "\t<BlastOutput_param>\n");
fprintf(out, "\t\t<Parameters>\n");
fprintf(out, "\t\t\t<Parameters_cmd>%s", *argv);
while(--argc) {
fprintf(out, " %s", *++argv);
}
fprintf(out, "</Parameters_cmd>\n");
fprintf(out, "\t\t</Parameters>\n");
fprintf(out, "\t</BlastOutput_param>\n");
fprintf(out, "<BlastOutput_iterations>\n");
}
void capXML(FILE *out) {
fprintf(out, "</BlastOutput_iterations>\n");
fprintf(out, "</BlastOutput>\n");
}
FILE * openInitXML(const char *filename, const char *templatefilename, const unsigned totFrags, int argc, char **argv) {
FILE *fileP;
if(*filename == '-' && filename[1] == '-' && filename[2] == 0) {
fileP = stdout;
} else {
fileP = sfopen(filename, "wb");
}
initXML(fileP, templatefilename, totFrags, argc, argv);
return fileP;
}
void closeCapXML(FILE *out) {
capXML(out);
if(out && out != stdout) {
fclose(out);
}
}
void newIterXML(FILE *out, const int template, const int t_len, const char *template_name) {
fprintf(out, "<Iteration>\n");
fprintf(out, "\t<Iteration_iter-num>%d</Iteration_iter-num>\n", template);
fprintf(out, "\t<Iteration_query-ID>Query_%d</Iteration_query-ID>\n", template);
fprintf(out, "\t<Iteration_query-def>%s</Iteration_query-def>\n", template_name);
fprintf(out, "\t<Iteration_query-len>%d</Iteration_query-len>\n", t_len);
fprintf(out, "<Iteration_hits>\n");
}
double getEntropy(const unsigned char *aligned_assem_q, const int len) {
unsigned i, *cPtr, counts[256];
unsigned char *qPtr;
double p, h;
if(len == 0) {
return 0;
}
/* init counts */
cPtr = counts - 1;
i = 257;
while(--i) {
*++cPtr = 0;
}
/* get counts */
qPtr = (unsigned char *) aligned_assem_q + len;
i = len + 1;
while(--i) {
++counts[*--qPtr];
}
/* calculate entropy */
h = 0;
i = 257;
cPtr = counts - 1;
while(--i) {
if((p = *++cPtr)) {
p /= len;
h -= p * log2(p);
}
}
return h;
}
void capIterXML(FILE *out, const int DB_size, const long unsigned seqsize, const int t_len, const int readCounts, const double p_value, const long read_score, const unsigned char *aligned_assem_q, const int len) {
fprintf(out, "</Iteration_hits>\n");
fprintf(out, "\t<Iteration_stat>\n");
fprintf(out, "\t\t<Statistics>\n");
fprintf(out, "\t\t\t<Statistics_db-num>%d</Statistics_db-num>\n", DB_size);
fprintf(out, "\t\t\t<Statistics_db-len>%ld</Statistics_db-len>\n", seqsize);
fprintf(out, "\t\t\t<Statistics_hsp-len>%d</Statistics_hsp-len>\n", readCounts);
fprintf(out, "\t\t\t<Statistics_eff-space>%lu</Statistics_eff-space>\n", seqsize * t_len);
fprintf(out, "\t\t\t<Statistics_kappa>%4.1e</Statistics_kappa>\n", p_value * read_score);
fprintf(out, "\t\t\t<Statistics_lambda>%4.1e</Statistics_lambda>\n", p_value);
fprintf(out, "\t\t\t<Statistics_entropy>%f</Statistics_entropy>\n", getEntropy(aligned_assem_q, len));
fprintf(out, "\t\t</Statistics>\n");
fprintf(out, "\t</Iteration_stat>\n");
fprintf(out, "</Iteration>\n");
}
void hitXML(FILE *out, const int template, const unsigned char *template_name, const Aln *aligned, const AlnScore *alnStat, const Penalties *rewards, const int flag) {
static volatile int Lock = 0;
static int num = 0;
volatile int *lock = &Lock;
int i, Ms, MMs, W1s, Us, gap, pos, **d;
unsigned char *t, *q;
char *s, bases[6] = "ACGTN-";
/* get stats */
d = rewards->d;
Ms = 0;
MMs = 0;
W1s = 0;
Us = 0;
gap = 0;
pos = 0;
t = aligned->t - 1;
s = aligned->s - 1;
q = aligned->q;
i = aligned->len + 1;
while(--i) {
if(*++s == '_') {
*s = ' ';
if(*++t == 5 || *q == 5) {
if(gap) {
++Us;
} else {
++W1s;
gap = 1;
}
} else {
++MMs;
if(0 < d[*t][*q]) {
++pos;
}
gap = 1;
}
} else {
++Ms;
++t;
if(0 < d[*t][*q]) {
++pos;
}
gap = 1;
}
*t = bases[*t];
*q = bases[*q];
++q;
}
pos += W1s * (0 < rewards->W1) + Us * (0 < rewards->U);
/* print stats */
lock(lock);
fprintf(out, "<Hit>\n");
fprintf(out, "\t<Hit_num>%d</Hit_num>\n", ++num);
fprintf(out, "\t<Hit_id>gnl|BL_ORD_ID|%d</Hit_id>\n", template + 1);
fprintf(out, "\t<Hit_def>%s</Hit_def>\n", template_name);
fprintf(out, "\t<Hit_accession>%d</Hit_accession>\n", template);
fprintf(out, "\t<Hit_len>%d</Hit_len>\n", aligned->len);
fprintf(out, "\t<Hit_hsps>\n");
fprintf(out, "\t\t<Hsp>\n");
fprintf(out, "\t\t\t<Hsp_num>1</Hsp_num>\n");
fprintf(out, "\t\t\t<Hsp_bit-score>%d</Hsp_bit-score>\n", aligned->score);
fprintf(out, "\t\t\t<Hsp_score>%d</Hsp_score>\n", aligned->mapQ);
fprintf(out, "\t\t\t<Hsp_evalue>%f</Hsp_evalue>\n", pow(10, aligned->mapQ / (-10.0)));
fprintf(out, "\t\t\t<Hsp_query-from>%d</Hsp_query-from>\n", ((flag & 16) ? (aligned->end) : (aligned->start)) + 1);
fprintf(out, "\t\t\t<Hsp_query-to>%d</Hsp_query-to>\n", ((flag & 16) ? (aligned->start) : (aligned->end)) + 1);
fprintf(out, "\t\t\t<Hsp_hit-from>%d</Hsp_hit-from>\n", alnStat->pos + 1);
fprintf(out, "\t\t\t<Hsp_hit-to>%d</Hsp_hit-to>\n", alnStat->pos + alnStat->len - alnStat->tGaps + 1);
fprintf(out, "\t\t\t<Hsp_query-frame>%d</Hsp_query-frame>\n", aligned->start % 3);
fprintf(out, "\t\t\t<Hsp_hit-frame>%d</Hsp_hit-frame>\n", alnStat->pos % 3);
fprintf(out, "\t\t\t<Hsp_identity>%d</Hsp_identity>\n", Ms);
fprintf(out, "\t\t\t<Hsp_positive>%d</Hsp_positive>\n", pos);
fprintf(out, "\t\t\t<Hsp_gaps>%d</Hsp_gaps>\n", W1s + Us);
fprintf(out, "\t\t\t<Hsp_align-len>%d</Hsp_align-len>\n", aligned->len);
fprintf(out, "\t\t\t<Hsp_qseq>%s</Hsp_qseq>\n", aligned->q);
fprintf(out, "\t\t\t<Hsp_hseq>%s</Hsp_hseq>\n", aligned->t);
fprintf(out, "\t\t\t<Hsp_midline>%s</Hsp_midline>\n", aligned->s);
fprintf(out, "\t\t</Hsp>\n");
fprintf(out, "\t</Hit_hsps>\n");
fprintf(out, "</Hit>\n");
unlock(lock);
}
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