/* @source needle application ** ** True Needleman-Wunsch global alignment ** @author Copyright (C) Alan Bleasby (ableasby@hgmp.mrc.ac.uk) ** @@ ** ** This program 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. ** ** This program 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 this program; if not, write to the Free Software ** Foundation, Inc., 59 Temple Place - Suite 330, Boston, MA 02111-1307, USA. ******************************************************************************/ #include "emboss.h" /* @prog needle *************************************************************** ** ** Needleman-Wunsch global alignment ** ******************************************************************************/ int main(int argc, char **argv) { AjPAlign align; AjPSeqall seqall; AjPSeq a; AjPSeq b; AjPStr alga; AjPStr algb; AjPStr ss; ajint lena; ajint lenb; const char *p; const char *q; ajint start1 = 0; ajint start2 = 0; ajint *compass; float* ix; float* iy; float* m; AjPMatrixf matrix; AjPSeqCvt cvt = 0; float **sub; float gapopen; float gapextend; float endgapopen; float endgapextend; ajulong maxarr = 1000; /* arbitrary. realloc'd if needed */ ajulong len; float score; AjBool dobrief = ajTrue; AjBool endweight = ajFalse; /* should end gap penalties be applied */ float id = 0.; float sim = 0.; float idx = 0.; float simx = 0.; AjPStr tmpstr = NULL; size_t stlen; embInit("needle", argc, argv); matrix = ajAcdGetMatrixf("datafile"); a = ajAcdGetSeq("asequence"); ajSeqTrim(a); seqall = ajAcdGetSeqall("bsequence"); gapopen = ajAcdGetFloat("gapopen"); gapextend = ajAcdGetFloat("gapextend"); endgapopen = ajAcdGetFloat("endopen"); endgapextend = ajAcdGetFloat("endextend"); dobrief = ajAcdGetBoolean("brief"); endweight = ajAcdGetBoolean("endweight"); align = ajAcdGetAlign("outfile"); gapopen = ajRoundFloat(gapopen, 8); gapextend = ajRoundFloat(gapextend, 8); AJCNEW0(compass, maxarr); AJCNEW0(m, maxarr); AJCNEW0(ix, maxarr); AJCNEW0(iy, maxarr); alga = ajStrNew(); algb = ajStrNew(); ss = ajStrNew(); sub = ajMatrixfGetMatrix(matrix); cvt = ajMatrixfGetCvt(matrix); lena = ajSeqGetLen(a); while(ajSeqallNext(seqall,&b)) { ajSeqTrim(b); lenb = ajSeqGetLen(b); if(lenb > (LONG_MAX/(ajlong)(lena+1))) ajFatal("Sequences too big. Try 'stretcher'"); len = lena*lenb; if(len>maxarr) { stlen = (size_t) len; AJCRESIZETRY0(compass,(size_t)maxarr,stlen); if(!compass) ajDie("Sequences too big. Try 'stretcher'"); AJCRESIZETRY0(m,(size_t)maxarr,stlen); if(!m) ajDie("Sequences too big. Try 'stretcher'"); AJCRESIZETRY0(ix,(size_t)maxarr,stlen); if(!ix) ajDie("Sequences too big. Try 'stretcher'"); AJCRESIZETRY0(iy,(size_t)maxarr,stlen); if(!iy) ajDie("Sequences too big. Try 'stretcher'"); maxarr=len; } p = ajSeqGetSeqC(a); q = ajSeqGetSeqC(b); ajStrAssignC(&alga,""); ajStrAssignC(&algb,""); score = embAlignPathCalcWithEndGapPenalties(p, q, lena, lenb, gapopen, gapextend, endgapopen, endgapextend, &start1, &start2, sub, cvt, m, ix, iy, compass, ajFalse, endweight); embAlignWalkNWMatrixUsingCompass(p, q, &alga, &algb, lena, lenb, &start1, &start2, compass); embAlignReportGlobal(align, a, b, alga, algb, start1, start2, gapopen, gapextend, score, matrix, ajSeqGetOffset(a), ajSeqGetOffset(b)); if(!dobrief) { embAlignCalcSimilarity(alga,algb,sub,cvt,lena,lenb,&id,&sim,&idx, &simx); ajFmtPrintS(&tmpstr,"Longest_Identity = %5.2f%%\n", id); ajFmtPrintAppS(&tmpstr,"Longest_Similarity = %5.2f%%\n", sim); ajFmtPrintAppS(&tmpstr,"Shortest_Identity = %5.2f%%\n", idx); ajFmtPrintAppS(&tmpstr,"Shortest_Similarity = %5.2f%%", simx); ajAlignSetSubHeaderApp(align, tmpstr); } ajAlignWrite(align); ajAlignReset(align); } ajAlignClose(align); ajAlignDel(&align); ajSeqallDel(&seqall); ajSeqDel(&a); ajSeqDel(&b); AJFREE(compass); AJFREE(ix); AJFREE(iy); AJFREE(m); ajStrDel(&alga); ajStrDel(&algb); ajStrDel(&ss); ajStrDel(&tmpstr); embExit(); return 0; }