/* @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 m; AjPStr n; AjPStr ss; ajuint lena; ajuint lenb; const char *p; const char *q; ajint start1 = 0; ajint start2 = 0; float *path; ajint *compass; AjPMatrixf matrix; AjPSeqCvt cvt = 0; float **sub; float gapopen; float gapextend; ajulong maxarr = 1000; /* arbitrary. realloc'd if needed */ ajulong len; float score; AjBool dobrief = ajTrue; 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"); dobrief = ajAcdGetBoolean("brief"); align = ajAcdGetAlign("outfile"); gapopen = ajRoundF(gapopen, 8); gapextend = ajRoundF(gapextend, 8); AJCNEW(path, maxarr); AJCNEW(compass, maxarr); m = ajStrNew(); n = ajStrNew(); ss = ajStrNew(); sub = ajMatrixfArray(matrix); cvt = ajMatrixfCvt(matrix); lena = ajSeqGetLen(a); while(ajSeqallNext(seqall,&b)) { ajSeqTrim(b); lenb = ajSeqGetLen(b); if(lenb > (ULONG_MAX/(ajulong)(lena+1))) ajFatal("Sequences too big. Try 'stretcher' or 'supermatcher'"); len = lena*lenb; if(len>maxarr) { stlen = (size_t) len; AJCRESIZETRY(path,stlen); if(!path) ajDie("Sequences too big. Try 'stretcher'"); AJCRESIZETRY(compass,stlen); if(!compass) ajDie("Sequences too big. Try 'stretcher'"); maxarr=len; } p = ajSeqGetSeqC(a); q = ajSeqGetSeqC(b); ajStrAssignC(&m,""); ajStrAssignC(&n,""); score = embAlignPathCalc(p,q,lena,lenb,gapopen,gapextend,path,sub,cvt, compass,ajFalse); /*score = embAlignScoreNWMatrix(path,compass,gapopen,gapextend, a,b,lena,lenb,sub,cvt, &start1,&start2);*/ embAlignWalkNWMatrix(path,a,b,&m,&n,lena,lenb,&start1,&start2,gapopen, gapextend,compass); embAlignReportGlobal(align, a, b ,m, n, start1, start2, gapopen, gapextend, score, matrix, ajSeqGetOffset(a), ajSeqGetOffset(b)); if(!dobrief) { embAlignCalcSimilarity(m,n,sub,cvt,lena,lenb,&id,&sim,&idx, &simx); ajFmtPrintAppS(&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(path); ajStrDel(&n); ajStrDel(&m); ajStrDel(&ss); ajStrDel(&tmpstr); embExit(); return 0; }