1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 251 252 253 254 255 256 257 258 259 260 261 262 263 264 265 266 267 268 269 270 271 272 273 274 275 276 277 278 279 280 281 282 283 284 285 286 287 288 289 290 291 292 293 294 295 296 297 298 299 300 301 302 303 304 305 306 307 308 309 310 311 312 313 314 315 316 317 318 319 320 321 322 323 324 325 326 327 328 329 330 331 332 333 334 335 336 337 338 339 340 341 342 343 344 345 346 347 348 349 350 351 352 353 354 355 356 357 358 359 360 361 362 363 364 365 366 367 368 369 370 371 372 373 374 375 376 377 378 379 380 381 382 383 384 385 386 387 388 389 390 391 392 393 394 395 396 397 398 399 400 401 402 403 404 405 406 407 408 409 410 411 412 413 414 415 416 417 418 419 420 421 422 423 424 425 426 427 428 429 430 431
|
/* @source embmat *************************************************************
**
** General match routines
**
** @author Copyright (c) 1999 Alan Bleasby
** @version $Revision: 1.22 $
** @modified $Date: 2011/11/08 15:12:52 $ by $Author: rice $
** @@
**
** This library is free software; you can redistribute it and/or
** modify it under the terms of the GNU Lesser General Public
** License as published by the Free Software Foundation; either
** version 2.1 of the License, or (at your option) any later version.
**
** This library 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
** Lesser General Public License for more details.
**
** You should have received a copy of the GNU Lesser General Public
** License along with this library; if not, write to the Free Software
** Foundation, Inc., 51 Franklin Street, Fifth Floor, Boston,
** MA 02110-1301, USA.
**
******************************************************************************/
#include "ajlib.h"
#include "embmat.h"
#include "ajlist.h"
#include "ajfile.h"
#include "ajfiledata.h"
#include <stdlib.h>
#include <limits.h>
static void matPushHitInt(const AjPStr n, const EmbPMatPrints m,
AjPList *l, ajint pos,
ajint score, ajint elem, ajint hpe, ajint hpm);
/* @funcstatic matPushHitInt **************************************************
**
** Put a matching protein matrix (EmbPMatPrints) on the heap
** as an EmbPMatMatch structure
**
** @param [r] n [const AjPStr] Sequence name
** @param [r] m [const EmbPMatPrints] Matching fingerprint element
** @param [w] l [AjPList *] List to push hits to
** @param [r] pos [ajint] Sequence position of element
** @param [r] score [ajint] Score of element
** @param [r] elem [ajint] Element number (0 to n)
** @param [r] hpe [ajint] Hits per element (so far)
** @param [r] hpm [ajint] Hits per motif (so far)
**
** @return [void]
**
** @release 1.0.0
******************************************************************************/
static void matPushHitInt(const AjPStr n, const EmbPMatPrints m,
AjPList *l, ajint pos,
ajint score, ajint elem, ajint hpe, ajint hpm)
{
EmbPMatMatch mat;
AJNEW0 (mat);
mat->seqname = ajStrNewC(ajStrGetPtr(n));
mat->cod = ajStrNewC(ajStrGetPtr((m)->cod));
mat->acc = ajStrNewC(ajStrGetPtr((m)->acc));
mat->tit = ajStrNewC(ajStrGetPtr((m)->tit));
mat->pat = ajStrNew();
mat->n = (m)->n;
mat->len = (m)->len[elem];
mat->thresh = (m)->thresh[elem];
mat->max = (m)->max[elem];
mat->element = elem;
mat->start = pos;
mat->score = score;
mat->hpe = hpe;
mat->hpm = hpm;
mat->all = ajFalse;
mat->ordered = ajFalse;
ajListPush(*l,(void *)mat);
return;
}
/* @func embMatMatchDel *******************************************************
**
** Deallocate a MatMatch structure
**
** @param [w] s [EmbPMatMatch *] Structure to delete
**
** @return [void]
**
** @release 1.0.0
******************************************************************************/
void embMatMatchDel(EmbPMatMatch *s)
{
ajStrDel(&(*s)->seqname);
ajStrDel(&(*s)->cod);
ajStrDel(&(*s)->acc);
ajStrDel(&(*s)->tit);
ajStrDel(&(*s)->pat);
ajStrDel(&(*s)->iso);
AJFREE(*s);
*s = NULL;
return;
}
/* @func embMatPrintsInit *****************************************************
**
** Initialise file pointer to the EMBOSS PRINTS data file
**
** @param [w] fp [AjPFile *] file pointer
** @return [void]
**
** @release 1.0.0
******************************************************************************/
void embMatPrintsInit(AjPFile *fp)
{
*fp = ajDatafileNewInNameC(PRINTS_MAT);
if(!*fp)
ajFatal("%s file not found. Create it with printsextract.", PRINTS_MAT);
return;
}
/* @func embMatProtReadInt ****************************************************
**
** Fill a protein matrix structure (EmbPMatPrints) from a data file
** Gets next entry.
**
** @param [u] fp [AjPFile] data file pointer
**
** @return [EmbPMatPrints] matrix structure
** @category new [EmbPMatPrints] Read protein matrix structure from a data file
**
** @release 1.0.0
******************************************************************************/
EmbPMatPrints embMatProtReadInt(AjPFile fp)
{
EmbPMatPrints ret;
AjPStr line;
ajint i;
ajuint j;
ajuint m;
const char *p;
line = ajStrNewC("#");
p = ajStrGetPtr(line);
while(!*p || *p=='#' || *p=='!' || *p=='\n')
{
if(!ajReadlineTrim(fp,&line))
{
ajStrDel(&line);
return NULL;
}
p = ajStrGetPtr(line);
}
ajDebug("embMatProtReadint starting\n");
ajDebug ("Line: %S\n", line);
AJNEW0 (ret);
ret->cod = ajStrNew();
ajStrAssignS(&ret->cod,line);
ajReadlineTrim(fp,&line);
ret->acc = ajStrNew();
ajStrAssignS(&ret->acc,line);
ajReadlineTrim(fp,&line);
ajStrToUint(line,&ret->n);
ajReadlineTrim(fp,&line);
ret->tit = ajStrNew();
ajStrAssignS(&ret->tit,line);
ajDebug ("Lineb: %S\n", line);
AJCNEW(ret->len, ret->n);
AJCNEW(ret->max, ret->n);
AJCNEW(ret->thresh, ret->n);
AJCNEW(ret->matrix, ret->n);
for(m=0;m<ret->n;++m)
{
ajReadlineTrim(fp,&line);
ajStrToUint(line,&ret->len[m]);
ajReadlineTrim(fp,&line);
ajStrToUint(line,&ret->thresh[m]);
ajReadlineTrim(fp,&line);
ajStrToUint(line,&ret->max[m]);
ajDebug ("m: %d/%d len:%d thresh:%d max:%d\n",
m, ret->n, ret->len[m], ret->thresh[m], ret->max[m]);
for(i=0;i<26;++i)
{
AJCNEW0(ret->matrix[m][i], ret->len[m]);
ajReadlineTrim(fp,&line);
ajDebug ("Linec [%d][%d]: %S\n", m, i, line);
p = ajStrGetPtr(line);
for(j=0;j<ret->len[m];++j)
{
if(!j)
p = ajSysFuncStrtok(p," ");
else
p = ajSysFuncStrtok(NULL," ");
sscanf(p,"%u",&ret->matrix[m][i][j]);
}
}
}
ajReadlineTrim(fp,&line);
ajDebug ("Linec: %S\n", line);
ajStrDel(&line);
return ret;
}
/* @func embMatProtDelInt *****************************************************
**
** Deallocate a protein matrix structure (EmbPMatPrints)
**
** @param [d] s [EmbPMatPrints *] matrix structure
**
** @return [void]
**
** @release 1.0.0
******************************************************************************/
void embMatProtDelInt(EmbPMatPrints *s)
{
ajint n;
ajint i;
ajint j;
n = (*s)->n;
for(i=0;i<n;++i)
for(j=0;j<26;++j)
AJFREE((*s)->matrix[i][j]);
AJFREE((*s)->matrix);
AJFREE((*s)->len);
AJFREE((*s)->thresh);
AJFREE((*s)->max);
ajStrDel(&(*s)->cod);
ajStrDel(&(*s)->acc);
ajStrDel(&(*s)->tit);
AJFREE(*s);
return;
}
/* @func embMatProtScanInt ****************************************************
**
** Scan a protein sequence with a fingerprint
**
** @param [r] s [const AjPStr] Sequence
** @param [r] n [const AjPStr] name of sequence
** @param [r] m [const EmbPMatPrints] Fingerprint matrix
** @param [w] l [AjPList *] List to push hits to
** @param [w] all [AjBool *] Set if all elements match
** @param [w] ordered [AjBool *] Set if all elements are in order
** @param [r] overlap [AjBool] True if overlaps are allowed
**
** @return [ajuint] number of hits
**
** @release 1.0.0
******************************************************************************/
ajuint embMatProtScanInt(const AjPStr s, const AjPStr n, const EmbPMatPrints m,
AjPList *l,
AjBool *all, AjBool *ordered, AjBool overlap)
{
EmbPMatMatch mm;
AjPStr t;
char *p;
char *q;
ajint slen;
ajint score;
ajint mlen;
ajint elem;
ajint minpc;
ajint maxscore;
ajint limit;
ajint sum;
ajint hpe;
ajint hpm;
ajint lastelem;
ajint lastpos;
ajint op;
ajint i;
ajint j;
t = ajStrNewC(ajStrGetPtr(s));
ajStrFmtUpper(&t);
p = q = ajStrGetuniquePtr(&t);
slen = ajStrGetLen(t);
for(i=0;i<slen;++i,++p)
*p = ajSysCastItoc(ajBasecodeToInt((ajint)*p));
p = q;
*all = *ordered = ajTrue;
lastelem = lastpos = INT_MAX;
hpm=0;
for(elem=(m)->n - 1;elem >= 0;--elem)
{
hpe = 0;
mlen = (m)->len[elem];
minpc = (m)->thresh[elem];
maxscore = (m)->max[elem];
limit = slen-mlen;
for(i=0;i<limit;++i)
{
sum = 0;
for(j=0;j<mlen;++j)
sum += (m)->matrix[elem][(ajint) p[i+j]][j];
score = (sum*100)/maxscore;
if(score>=minpc)
{
if(elem<lastelem && *ordered)
{
if(lastelem == INT_MAX)
{
lastelem = elem;
lastpos = i;
}
else
{
lastelem = elem;
op = i;
if(!overlap)
op += mlen;
if(op >= lastpos)
*ordered = ajFalse;
lastpos = i;
}
}
++hpe;
++hpm;
matPushHitInt(n,m,l,i,score,elem,hpe,hpm);
}
}
if(!hpe)
*all = ajFalse;
}
if(hpm)
{
ajListPop(*l,(void **)&mm);
if(*all)
{
mm->all = ajTrue;
if(*ordered)
mm->ordered = ajTrue;
else
mm->ordered = ajFalse;
}
else
{
mm->all = ajFalse;
if(*ordered)
mm->ordered = ajTrue;
else
mm->ordered = ajFalse;
}
ajListPush(*l,(void *)mm);
}
ajStrDel(&t);
return hpm;
}
|