int main(int argc, char **argv) { AjPSeq seq; AjPGraph graph = 0; AjPFile outf = NULL; AjPFile file = NULL; AjPStr buffer = NULL; float twist[4][4][4]; float roll[4][4][4]; float tilt[4][4][4]; float rbend; float rcurve; float bendscale; float curvescale; float twistsum = (float) 0.0; float pi = (float) 3.14159; float pifac = (pi/(float) 180.0); float pi2 = pi/(float) 2.0; ajint *iseq = NULL; float *x; float *y; float *xave; float *yave; float *curve; float *bend; const char *ptr; ajint i; ajint ii; ajint k; ajint j; char residue[2]; float maxbend; float minbend; float bendfactor; float maxcurve; float mincurve; float curvefactor; float fxp; float fyp; float yincr; float yy1; ajint ixlen; ajint iylen; ajint ixoff; ajint iyoff; float ystart; float defheight; float currentheight; ajint count; ajint portrait = 0; ajint title = 0; ajint numres; ajint ibeg; ajint iend; ajint ilen; AjPStr sstr = NULL; ajint ipos; float dx; float dy; float rxsum; float rysum; float yp1; float yp2; double td; embInit("banana", argc, argv); seq = ajAcdGetSeq("sequence"); file = ajAcdGetDatafile("anglesfile"); outf = ajAcdGetOutfile("outfile"); graph = ajAcdGetGraph("graph"); numres = ajAcdGetInt("residuesperline"); ibeg = ajSeqGetBegin(seq); iend = ajSeqGetEnd(seq); ajStrAssignSubS(&sstr, ajSeqGetSeqS(seq), ibeg-1, iend-1); ilen = ajStrGetLen(sstr); AJCNEW0(iseq,ilen+1); AJCNEW0(x,ilen+1); AJCNEW0(y,ilen+1); AJCNEW0(xave,ilen+1); AJCNEW0(yave,ilen+1); AJCNEW0(curve,ilen+1); AJCNEW0(bend,ilen+1); ptr= ajStrGetPtr(sstr); for(ii=0;ii<ilen;ii++) { if(*ptr=='A' || *ptr=='a') iseq[ii+1] = 0; else if(*ptr=='T' || *ptr=='t') iseq[ii+1] = 1; else if(*ptr=='G' || *ptr=='g') iseq[ii+1] = 2; else if(*ptr=='C' || *ptr=='c') iseq[ii+1] = 3; else ajErr("%c is not an ATCG hence not valid",*ptr); ptr++; } if(!file) ajErr("Banana failed to open angle file"); ajReadline(file,&buffer); /* 3 junk lines */ ajReadline(file,&buffer); ajReadline(file,&buffer); for(k=0;k<4;k++) for(ii=0;ii<4;ii++) { if(ajReadline(file,&buffer)) { sscanf(ajStrGetPtr(buffer),"%f,%f,%f,%f", &twist[ii][0][k],&twist[ii][1][k],&twist[ii][2][k], &twist[ii][3][k]); } else ajErr("Error reading angle file"); for(j=0;j<4;j++) twist[ii][j][k] *= pifac; } for(k=0;k<4;k++) for(ii=0;ii<4;ii++) if(ajReadline(file,&buffer)) { sscanf(ajStrGetPtr(buffer),"%f,%f,%f,%f",&roll[ii][0][k], &roll[ii][1][k],&roll[ii][2][k],&roll[ii][3][k]); } else ajErr("Error reading angle file"); for(k=0;k<4;k++) for(ii=0;ii<4;ii++) if(ajReadline(file,&buffer)) sscanf(ajStrGetPtr(buffer),"%f,%f,%f,%f",&tilt[ii][0][k], &tilt[ii][1][k],&tilt[ii][2][k],&tilt[ii][3][k]); else ajErr("Error reading angle file"); if(ajReadline(file,&buffer)) sscanf(ajStrGetPtr(buffer),"%f,%f,%f,%f",&rbend,&rcurve, &bendscale,&curvescale); else ajErr("Error reading angle file"); ajFileClose(&file); ajStrDel(&buffer); for(ii=1;ii<ilen-1;ii++) { twistsum += twist[iseq[ii]][iseq[ii+1]][iseq[ii+2]]; dx = (roll[iseq[ii]][iseq[ii+1]][iseq[ii+2]]*sinfban(twistsum)) + (tilt[iseq[ii]][iseq[ii+1]][iseq[ii+2]]*sinfban(twistsum-pi2)); dy = roll[iseq[ii]][iseq[ii+1]][iseq[ii+2]]*cosfban(twistsum) + tilt[iseq[ii]][iseq[ii+1]][iseq[ii+2]]*cosfban(twistsum-pi2); x[ii+1] = x[ii]+dx; y[ii+1] = y[ii]+dy; } for(ii=6;ii<ilen-6;ii++) { rxsum = 0.0; rysum = 0.0; for(k=-4;k<=4;k++) { rxsum+=x[ii+k]; rysum+=y[ii+k]; } rxsum+=(x[ii+5]*(float)0.5); rysum+=(y[ii+5]*(float)0.5); rxsum+=(x[ii-5]*(float)0.5); rysum+=(y[ii-5]*(float)0.5); xave[ii] = rxsum*(float)0.1; yave[ii] = rysum*(float)0.1; } for(i=(ajint)rbend+1;i<=ilen-(ajint)rbend-1;i++) { td = sqrt(((x[i+(ajint)rbend]-x[i-(ajint)rbend])* (x[i+(ajint)rbend]-x[i-(ajint)rbend])) + ((y[i+(ajint)rbend]-y[i-(ajint)rbend])* (y[i+(ajint)rbend]-y[i-(ajint)rbend]))); bend[i] = (float) td; bend[i]*=bendscale; } for(i=(ajint)rcurve+6;i<=ilen-(ajint)rcurve-6;i++) { td = sqrt(((xave[i+(ajint)rcurve]- xave[i-(ajint)rcurve])*(xave[i+(ajint)rcurve]- xave[i-(ajint)rcurve]))+ ((yave[i+(ajint)rcurve]-yave[i-(ajint)rcurve])* (yave[i+(ajint)rcurve]-yave[i-(ajint)rcurve]))); curve[i] = (float) td; } if(outf) { ajFmtPrintF(outf,"Base Bend Curve\n"); ptr = ajStrGetPtr(sstr); for(ii=1;ii<=ilen;ii++) { ajFmtPrintF(outf,"%c %6.1f %6.1f\n", *ptr, bend[ii], curve[ii]); ptr++; } ajFileClose(&outf); } if(graph) { maxbend = minbend = 0.0; maxcurve = mincurve = 0.0; for(ii=1;ii<=ilen;ii++) { if(bend[ii] > maxbend) maxbend = bend[ii]; if(bend[ii] < minbend) minbend = bend[ii]; if(curve[ii] > maxcurve) maxcurve = curve[ii]; if(curve[ii] < mincurve) mincurve = curve[ii]; } ystart = 75.0; ajGraphAppendTitleS(graph, ajSeqGetUsaS(seq)); ajGraphicsSetPagesize(960, 768); ajGraphOpenWin(graph,(float)-1.0, (float)numres+(float)10.0, (float)0.0, ystart+(float)5.0); ajGraphicsGetParamsPage(&fxp,&fyp,&ixlen,&iylen,&ixoff,&iyoff); if(portrait) { ixlen = 768; iylen = 960; } else { ixlen = 960; iylen = 768; } ajGraphicsGetCharsize(&defheight,¤theight); if(!currentheight) { defheight = currentheight = (float) 4.440072; currentheight = defheight * ((float)ixlen/ ((float)(numres)*(currentheight+(float)1.0))) /currentheight; } ajGraphicsSetCharscale(((float)ixlen/((float)(numres)* (currentheight+(float)1.0)))/ currentheight); ajGraphicsGetCharsize(&defheight,¤theight); yincr = (currentheight + (float)3.0)*(float)0.3; if(!title) yy1 = ystart; else yy1 = ystart-(float)5.0; count = 1; residue[1]='\0'; bendfactor = (3*yincr)/maxbend; curvefactor = (3*yincr)/maxcurve; ptr = ajStrGetPtr(sstr); yy1 = yy1-(yincr*((float)5.0)); for(ii=1;ii<=ilen;ii++) { if(count > numres) { yy1 = yy1-(yincr*((float)5.0)); if(yy1<1.0) { if(!title) yy1=ystart; else yy1 = ystart-(float)5.0; yy1 = yy1-(yincr*((float)5.0)); ajGraphNewpage(graph,AJFALSE); } count = 1; } residue[0] = *ptr; ajGraphicsDrawposTextAtend((float)(count)+(float)2.0,yy1,residue); if(ii>1 && ii < ilen) { yp1 = yy1+yincr + (bend[ii]*bendfactor); yp2 = yy1+yincr + (bend[ii+1]*bendfactor); ajGraphicsDrawposLine((float)count+(float)1.5,yp1, (float)(count)+(float)2.5,yp2); } ipos = ilen-(ajint)rcurve-7; if(ipos < 0) ipos = 0; if(ii>rcurve+5 && ii<ipos) { yp1 = yy1+yincr + (curve[ii]*curvefactor); yp2 = yy1+yincr + (curve[ii+1]*curvefactor); ajGraphicsDrawposLine((float)count+(float)1.7,yp1, (float)(count)+(float)2.3,yp2); } ajGraphicsDrawposLine((float)count+(float)1.5,yy1+yincr, (float)(count)+(float)2.5,yy1+yincr); count++; ptr++; } ajGraphicsClose(); } AJFREE(iseq); AJFREE(x); AJFREE(y); AJFREE(xave); AJFREE(yave); AJFREE(curve); AJFREE(bend); ajStrDel(&sstr); ajSeqDel(&seq); ajFileClose(&file); ajFileClose(&outf); ajGraphxyDel(&graph); embExit(); return 0; }
int main(int argc, char **argv) { AjPFile infile = NULL; AjPFile outfile = NULL; AjPStr line; AjPGraph graphLB = NULL; AjPGraphdata xygraph = NULL; AjPGraphdata xygraph2 = NULL; AjBool doplot; ajint N=0; float *xdata = NULL; float *ydata = NULL; float *V = NULL; float *S = NULL; float a; float b; float upperXlimit; float upperYlimit; float A; float B; float C; float D; float xmin; float xmax; float ymin; float ymax; float xmin2; float xmax2; float ymin2; float ymax2; float Vmax; float Km; float cutx; float cuty; float amin = 0.; float amax = 0.; float bmin = 0.; float bmax = 0.; embInit("findkm", argc, argv); infile = ajAcdGetInfile("infile"); outfile = ajAcdGetOutfile ("outfile"); doplot = ajAcdGetBoolean("plot"); graphLB = ajAcdGetGraphxy("graphLB"); line = ajStrNew(); /* Determine N by reading infile */ while(ajReadlineTrim(infile, &line)) if(ajStrGetLen(line) >0) N++; /* only allocate memory to the arrays */ AJCNEW(xdata, N); AJCNEW(ydata, N); AJCNEW(S, N); AJCNEW(V, N); ajFileSeek(infile, 0L, 0); N=0; while(ajReadlineTrim(infile, &line)) { if(ajStrGetLen(line) > 0) { sscanf(ajStrGetPtr(line),"%f %f",&S[N],&V[N]); if(S[N] > 0.0 && V[N] > 0.0) { xdata[N] = S[N]; ydata[N] = S[N]/V[N]; N++; } } } /* find the max and min values for the graph parameters*/ xmin = (float)0.5*findkm_findmin(xdata, N); xmax = (float)1.5*findkm_findmax(xdata, N); ymin = (float)0.5*findkm_findmin(ydata, N); ymax = (float)1.5*findkm_findmax(ydata, N); xmin2 = (float)0.5*findkm_findmin(S, N); xmax2 = (float)1.5*findkm_findmax(S, N); ymin2 = (float)0.5*findkm_findmin(V, N); ymax2 = (float)1.5*findkm_findmax(V, N); /* ** In case the casted ints turn out to be same number on the axis, ** make the max number larger than the min so graph can be seen. */ if((ajint)xmax == (ajint)xmin) ++xmax; if((ajint)ymax == (ajint)ymin) ++ymax; if((ajint)xmax2 == (ajint)xmin2) ++xmax2; if((ajint)ymax2 == (ajint)ymin2) ++ymax2; /* ** Gaussian Elimination for Best-fit curve plotting and ** calculating Km and Vmax */ A = findkm_summation(xdata, N); B = findkm_summation(ydata, N); C = findkm_multisum(xdata, ydata, N); D = findkm_multisum(xdata, xdata, N); /* ** To find the best fit line, Least Squares Fit: y =ax +b; ** Two Simultaneous equations, REARRANGE FOR b ** ** findkm_summation(ydata, N) - findkm_summation(xdata,N)*a - N*b =0; ** b = (findkm_summation(ydata,N) - findkm_summation(xdata,N)*a) / N; ** b = (B - A*a)/ N; ** ** C - D*a - A*((B - A*a)/ N) =0; ** C - D*a - A*B/N + A*A*a/N =0; ** C - A*B/N = D*a - A*A*a/N; */ /* REARRANGE FOR a */ a = (N*C - A*B)/ (N*D - A*A); b = (B - A*a)/ N; /* ** Equation of Line - Lineweaver burk eqn ** 1/V = (Km/Vmax)*(1/S) + 1/Vmax; */ Vmax = 1/a; Km = b/a; cutx = -1/Km; cuty = Km/Vmax; /* set limits for last point on graph */ upperXlimit = findkm_findmax(xdata,N)+3; upperYlimit = (upperXlimit)*a + b; ajFmtPrintF(outfile, "---Hanes Woolf Plot Calculations---\n"); ajFmtPrintF(outfile, "Slope of best fit line is a = %.2f\n", a); ajFmtPrintF(outfile,"Coefficient in Eqn of line y = ma +b is b " "= %.2f\n", b); ajFmtPrintF(outfile, "Where line cuts x axis = (%.2f, 0)\n", cutx); ajFmtPrintF(outfile, "Where line cuts y axis = (0, %.2f)\n", cuty); ajFmtPrintF(outfile, "Limit-point of graph for plot = (%.2f, %.2f)\n\n", upperXlimit, upperYlimit); ajFmtPrintF(outfile, "Vmax = %.2f, Km = %f\n",Vmax, Km); /* draw graphs */ if(doplot) { xygraph = ajGraphdataNewI(N); ajGraphdataAddXY(xygraph, S, V); ajGraphDataAdd(graphLB, xygraph); ajGraphdataSetTitleC(xygraph, "Michaelis Menten Plot"); ajGraphdataSetXlabelC(xygraph, "[S]"); ajGraphdataSetYlabelC(xygraph, "V"); ajGraphxySetXstartF(graphLB, 0.0); ajGraphxySetXendF(graphLB, xmax2); ajGraphxySetYstartF(graphLB, 0.0); ajGraphxySetYendF(graphLB, ymax2); ajGraphxySetXrangeII(graphLB, (ajint)0.0, (ajint)xmax2); ajGraphxySetYrangeII(graphLB, (ajint)0.0, (ajint)ymax2); ajGraphdataAddposLine(xygraph, 0.0, 0.0, S[0], V[0], (ajint)BLACK); ajGraphxyShowPointsCircle(graphLB, ajTrue); ajGraphdataSetMinmax(xygraph,0.0,xmax2,0.0,ymax2); ajGraphicsCalcRange(S,N,&amin,&amax); ajGraphicsCalcRange(V,N,&bmin,&bmax); ajGraphdataSetTruescale(xygraph,amin,amax,bmin,bmax); ajGraphdataSetTypeC(xygraph,"2D Plot Float"); xygraph2 = ajGraphdataNewI(N); ajGraphdataAddXY(xygraph2, xdata, ydata); ajGraphDataAdd(graphLB, xygraph2); ajGraphdataSetTitleC(xygraph2, "Hanes Woolf Plot"); ajGraphdataSetXlabelC(xygraph2, "[S]"); ajGraphdataSetYlabelC(xygraph2, "[S]/V"); ajGraphxySetXstartF(graphLB, cutx); ajGraphxySetXendF(graphLB, upperXlimit); ajGraphxySetYstartF(graphLB, 0.0); ajGraphxySetYendF(graphLB, upperYlimit); ajGraphxySetXrangeII(graphLB, (ajint)cutx, (ajint)upperXlimit); ajGraphxySetYrangeII(graphLB, (ajint)0.0, (ajint)upperYlimit); ajGraphxyShowPointsCircle(graphLB, ajTrue); ajGraphdataSetMinmax(xygraph2, cutx,upperXlimit,0.0,upperYlimit); ajGraphicsCalcRange(xdata,N,&amin,&amax); ajGraphicsCalcRange(ydata,N,&bmin,&bmax); ajGraphdataSetTruescale(xygraph2,amin,amax,bmin,bmax); ajGraphdataSetTypeC(xygraph2,"2D Plot"); ajGraphSetTitleC(graphLB,"FindKm"); ajGraphxySetflagOverlay(graphLB,ajFalse); ajGraphxyDisplay(graphLB, ajTrue); } AJFREE(xdata); AJFREE(ydata); AJFREE(S); AJFREE(V); ajFileClose(&infile); ajFileClose(&outfile); ajGraphxyDel(&graphLB); ajStrDel(&line); embExit(); return 0; }
int main(int argc, char **argv) { AjPSeq seq1; AjPSeq seq2; ajint wordlen; AjPTable seq1MatchTable = 0; AjPList matchlist = NULL; AjPGraph graph = NULL; AjPGraph xygraph = NULL; AjBool boxit; /* ** Different ticks as they need to be different for x and y due to ** length of string being important on x */ ajuint acceptableticksx[]= { 1,10,50,100,500,1000,1500,10000, 500000,1000000,5000000 }; ajuint acceptableticks[]= { 1,10,50,100,200,500,1000,2000,5000,10000,15000, 500000,1000000,5000000 }; ajint numbofticks = 10; float xmargin; float ymargin; float ticklen; float tickgap; float onefifth = 0.0; ajint i; float k; float max; char ptr[10]; ajint begin1; ajint begin2; ajint end1; ajint end2; ajuint len1; ajuint len2; float fbegin1; float fbegin2; float fend1; float fend2; float flen1; float flen2; AjBool stretch; embInit("dottup", argc, argv); wordlen = ajAcdGetInt("wordsize"); seq1 = ajAcdGetSeq("asequence"); seq2 = ajAcdGetSeq("bsequence"); graph = ajAcdGetGraph("graph"); boxit = ajAcdGetBoolean("boxit"); stretch = ajAcdGetToggle("stretch"); xygraph = ajAcdGetGraphxy("xygraph"); begin1 = ajSeqGetBegin(seq1); begin2 = ajSeqGetBegin(seq2); end1 = ajSeqGetEnd(seq1); end2 = ajSeqGetEnd(seq2); len1 = end1 - begin1 + 1; len2 = end2 - begin2 + 1; flen1 = (float) len1; flen2 = (float) len2; fbegin1 = (float) begin1; fbegin2 = (float) begin2; fend1 = (float) end1; fend2 = (float) end2; offset1 = fbegin1; offset2 = fbegin2; ajSeqTrim(seq1); ajSeqTrim(seq2); embWordLength(wordlen); if(embWordGetTable(&seq1MatchTable, seq1)) matchlist = embWordBuildMatchTable(seq1MatchTable, seq2, ajTrue); if(stretch) { dottup_stretchplot(xygraph,matchlist,seq1,seq2,begin1,begin2,end1, end2); if(matchlist) embWordMatchListDelete(&matchlist); /* free the match structures */ } else { /* only here if stretch is false */ max= flen1; if(flen2 > max) max = flen2; xmargin = ymargin = max * (float)0.15; ajGraphOpenWin(graph, fbegin1-ymargin,fend1+ymargin, fbegin2-xmargin,(float)fend2+xmargin); ajGraphicsSetCharscale(0.5); if(matchlist) dottup_plotMatches(matchlist); if(boxit) { ajGraphicsDrawposRect(fbegin1, fbegin2, fend1, fend2); i = 0; while(acceptableticksx[i]*numbofticks < len1) i++; if(i<=13) tickgap = (float) acceptableticksx[i]; else tickgap = (float) acceptableticksx[10]; ticklen = xmargin * (float) 0.1; onefifth = xmargin * (float)0.2; ajGraphicsDrawposTextAtmid(fbegin1+flen1*(float)0.5, fbegin1-(onefifth*(float)3.0), ajGraphGetYlabelC(graph)); if(len2/len1 > 10 ) { /* a lot smaller then just label start and end */ ajGraphicsDrawposLine(fbegin1,fbegin2,fbegin1, fbegin2-ticklen); sprintf(ptr,"%u",ajSeqGetOffset(seq1)); ajGraphicsDrawposTextAtmid(fbegin1,fbegin2-(onefifth),ptr); ajGraphicsDrawposLine(fend1,fbegin2, fend1,fbegin2-ticklen); sprintf(ptr,"%d",end1); ajGraphicsDrawposTextAtmid(fend1,fbegin2-(onefifth),ptr); } else for(k=fbegin1;k<fend1;k+=tickgap) { ajGraphicsDrawposLine(k,fbegin2,k,fbegin2-ticklen); sprintf(ptr,"%d",(ajint)k); ajGraphicsDrawposTextAtmid( k,fbegin2-(onefifth),ptr); } i = 0; while(acceptableticks[i]*numbofticks < len2) i++; tickgap = (float) acceptableticks[i]; ticklen = ymargin*(float)0.1; onefifth = ymargin*(float)0.2; ajGraphicsDrawposTextAtlineJustify(fbegin1-(onefifth*(float)4.), fbegin2+flen2*(float)0.5, fbegin2-(onefifth*(float)4.), fbegin2+flen2, ajGraphGetXlabelC(graph), 0.5); if(len1/len2 > 10 ) { /* a lot smaller then just label start and end */ ajGraphicsDrawposLine(fbegin1,fbegin2,fbegin1-ticklen, fbegin2); sprintf(ptr,"%u",ajSeqGetOffset(seq2)); ajGraphicsDrawposTextAtend(fbegin1-(onefifth),fbegin2,ptr); ajGraphicsDrawposLine(fbegin1,fend2,fbegin1-ticklen, fend2); sprintf(ptr,"%d",end2); ajGraphicsDrawposTextAtend(fbegin2-(onefifth),fend2,ptr); } else for(k=fbegin2;k<fend2;k+=tickgap) { ajGraphicsDrawposLine(fbegin1,k,fbegin1-ticklen,k); sprintf(ptr,"%d",(ajint)k); ajGraphicsDrawposTextAtend(fbegin1-(onefifth),k,ptr); } } } ajGraphicsClose(); ajSeqDel(&seq1); ajSeqDel(&seq2); ajGraphxyDel(&graph); ajGraphxyDel(&xygraph); embWordFreeTable(&seq1MatchTable); if(matchlist) embWordMatchListDelete(&matchlist); /* free the match structures */ embExit(); return 0; }
int main(int argc, char **argv) { AjPList list = NULL; AjPSeq seq; AjPSeq seq2; AjPStr aa0str = 0; AjPStr aa1str = 0; const char *s1; const char *s2; char *strret = NULL; ajuint i; ajuint j; ajuint k; ajint l; ajint abovethresh; ajint total; ajint starti = 0; ajint startj = 0; ajint windowsize; float thresh; AjPGraph graph = NULL; AjPGraph xygraph = NULL; float flen1; float flen2; ajuint len1; ajuint len2; AjPTime ajtime = NULL; time_t tim; AjBool boxit=AJTRUE; /* Different ticks as they need to be different for x and y due to length of string being important on x */ ajuint acceptableticksx[]= { 1,10,50,100,500,1000,1500,10000, 500000,1000000,5000000 }; ajuint acceptableticks[]= { 1,10,50,100,200,500,1000,2000,5000,10000,15000, 500000,1000000,5000000 }; ajint numbofticks = 10; float xmargin; float ymargin; float ticklen; float tickgap; float onefifth; float k2; float max; char ptr[10]; AjPMatrix matrix = NULL; ajint** sub; AjPSeqCvt cvt; AjPStr subt = NULL; ajint b1; ajint b2; ajint e1; ajint e2; AjPStr se1; AjPStr se2; ajint ithresh; AjBool stretch; PPoint ppt = NULL; float xa[1]; float ya[1]; AjPGraphdata gdata=NULL; AjPStr tit = NULL; AjIList iter = NULL; float x1 = 0.; float x2 = 0.; float y1 = 0.; float y2 = 0.; ajuint tui; se1 = ajStrNew(); se2 = ajStrNew(); embInit("dotmatcher", argc, argv); seq = ajAcdGetSeq("asequence"); seq2 = ajAcdGetSeq("bsequence"); stretch = ajAcdGetToggle("stretch"); graph = ajAcdGetGraph("graph"); xygraph = ajAcdGetGraphxy("xygraph"); windowsize = ajAcdGetInt("windowsize"); ithresh = ajAcdGetInt("threshold"); matrix = ajAcdGetMatrix("matrixfile"); sub = ajMatrixGetMatrix(matrix); cvt = ajMatrixGetCvt(matrix); thresh = (float)ithresh; ajtime = ajTimeNew(); tim = time(0); ajTimeSetLocal(ajtime, tim); b1 = ajSeqGetBegin(seq); b2 = ajSeqGetBegin(seq2); e1 = ajSeqGetEnd(seq); e2 = ajSeqGetEnd(seq2); len1 = ajSeqGetLen(seq); len2 = ajSeqGetLen(seq2); tui = ajSeqGetLen(seq); flen1 = (float) tui; tui = ajSeqGetLen(seq2); flen2 = (float) tui; ajStrAssignSubC(&se1,ajSeqGetSeqC(seq),b1-1,e1-1); ajStrAssignSubC(&se2,ajSeqGetSeqC(seq2),b2-1,e2-1); ajSeqAssignSeqS(seq,se1); ajSeqAssignSeqS(seq2,se2); s1 = ajStrGetPtr(ajSeqGetSeqS(seq)); s2 = ajStrGetPtr(ajSeqGetSeqS(seq2)); aa0str = ajStrNewRes(1+len1); /* length plus trailing blank */ aa1str = ajStrNewRes(1+len2); list = ajListNew(); for(i=0;i<len1;i++) ajStrAppendK(&aa0str,(char)ajSeqcvtGetCodeK(cvt, *s1++)); for(i=0;i<len2;i++) ajStrAppendK(&aa1str,(char)ajSeqcvtGetCodeK(cvt, *s2++)); max = (float)len1; if(len2 > max) max = (float) len2; xmargin = ymargin = max *(float)0.15; ticklen = xmargin*(float)0.1; onefifth = xmargin*(float)0.2; subt = ajStrNewC((strret= ajFmtString("(windowsize = %d, threshold = %3.2f %D)", windowsize,thresh,ajtime))); if(!stretch) { if( ajStrGetLen(ajGraphGetSubtitleS(graph)) <=1) ajGraphSetSubtitleS(graph,subt); ajGraphOpenWin(graph, (float)0.0-ymargin,(max*(float)1.35)+ymargin, (float)0.0-xmargin,(float)max+xmargin); ajGraphicsDrawposTextAtmid(flen1*(float)0.5, (float)0.0-(xmargin/(float)2.0), ajGraphGetXlabelC(graph)); ajGraphicsDrawposTextAtlineJustify((float)0.0-(xmargin*(float)0.75), flen2*(float)0.5, (float)0.0-(xmargin*(float)0.75),flen1, ajGraphGetYlabelC(graph),0.5); ajGraphicsSetCharscale(0.5); } s1= ajStrGetPtr(aa0str); s2 = ajStrGetPtr(aa1str); for(j=0; (ajint)j < (ajint)len2-windowsize;j++) { i =0; total = 0; abovethresh =0; k = j; for(l=0;l<windowsize;l++) total = total + sub[(ajint)s1[i++]][(ajint)s2[k++]]; if(total >= thresh) { abovethresh=1; starti = i-windowsize; startj = k-windowsize; } while(i < len1 && k < len2) { total = total - sub[(ajint)s1[i-windowsize]] [(ajint)s2[k-windowsize]]; total = total + sub[(ajint)s1[i]][(ajint)s2[k]]; if(abovethresh) { if(total < thresh) { abovethresh = 0; /* draw the line */ dotmatcher_pushpoint(&list,(float)starti,(float)startj, (float)i-1,(float)k-1,stretch); } } else if(total >= thresh) { starti = i-windowsize; startj = k-windowsize; abovethresh= 1; } i++; k++; } if(abovethresh) /* draw the line */ dotmatcher_pushpoint(&list,(float)starti,(float)startj, (float)i-1,(float)k-1, stretch); } for(i=0; (ajint)i < (ajint)len1-windowsize;i++) { j = 0; total = 0; abovethresh =0; k = i; for(l=0;l<windowsize;l++) total = total + sub[(ajint)s1[k++]][(ajint)s2[j++]]; if(total >= thresh) { abovethresh=1; starti = k-windowsize; startj = j-windowsize; } while(k < len1 && j < len2) { total = total - sub[(ajint)s1[k-windowsize]] [(ajint)s2[j-windowsize]]; total = total + sub[(ajint)s1[k]][(ajint)s2[j]]; if(abovethresh) { if(total < thresh) { abovethresh = 0; /* draw the line */ dotmatcher_pushpoint(&list,(float)starti,(float)startj, (float)k-1,(float)j-1,stretch); } } else if(total >= thresh) { starti = k-windowsize; startj = j-windowsize; abovethresh= 1; } j++; k++; } if(abovethresh) /* draw the line */ dotmatcher_pushpoint(&list,(float)starti,(float)startj, (float)k-1,(float)j-1, stretch); } if(boxit && !stretch) { ajGraphicsDrawposRect(0.0,0.0,flen1, flen2); i=0; while(acceptableticksx[i]*numbofticks < len1) i++; if(i<=13) tickgap = (float)acceptableticksx[i]; else tickgap = (float)acceptableticksx[10]; ticklen = xmargin*(float)0.1; onefifth = xmargin*(float)0.2; if(len2/len1 > 10 ) { /* if a lot smaller then just label start and end */ ajGraphicsDrawposLine((float)0.0,(float)0.0,(float)0.0,(float)0.0-ticklen); sprintf(ptr,"%d",b1-1); ajGraphicsDrawposTextAtmid((float)0.0,(float)0.0-(onefifth),ptr); ajGraphicsDrawposLine(flen1,(float)0.0, flen1,(float)0.0-ticklen); sprintf(ptr,"%d",len1+b1-1); ajGraphicsDrawposTextAtmid(flen1,(float)0.0-(onefifth),ptr); } else for(k2=0.0;k2<len1;k2+=tickgap) { ajGraphicsDrawposLine(k2,(float)0.0,k2,(float)0.0-ticklen); sprintf(ptr,"%d",(ajint)k2+b1-1); ajGraphicsDrawposTextAtmid(k2,(float)0.0-(onefifth),ptr); } i = 0; while(acceptableticks[i]*numbofticks < len2) i++; tickgap = (float)acceptableticks[i]; ticklen = ymargin*(float)0.01; onefifth = ymargin*(float)0.02; if(len1/len2 > 10 ) { /* if a lot smaller then just label start and end */ ajGraphicsDrawposLine((float)0.0,(float)0.0,(float)0.0-ticklen,(float)0.0); sprintf(ptr,"%d",b2-1); ajGraphicsDrawposTextAtend((float)0.0-(onefifth),(float)0.0,ptr); ajGraphicsDrawposLine((float)0.0,flen2,(float)0.0-ticklen, flen2); sprintf(ptr,"%d",len2+b2-1); ajGraphicsDrawposTextAtend((float)0.0-(onefifth),flen2,ptr); } else for(k2=0.0;k2<len2;k2+=tickgap) { ajGraphicsDrawposLine((float)0.0,k2,(float)0.0-ticklen,k2); sprintf(ptr,"%d",(ajint)k2+b2-1); ajGraphicsDrawposTextAtend((float)0.0-(onefifth),k2,ptr); } } if(!stretch) ajGraphicsClose(); else /* the xy graph for -stretch */ { tit = ajStrNew(); ajFmtPrintS(&tit,"%S",ajGraphGetTitleS(xygraph)); gdata = ajGraphdataNewI(1); xa[0] = (float)b1; ya[0] = (float)b2; ajGraphSetTitleC(xygraph,ajStrGetPtr(tit)); ajGraphSetXlabelC(xygraph,ajSeqGetNameC(seq)); ajGraphSetYlabelC(xygraph,ajSeqGetNameC(seq2)); ajGraphdataSetTypeC(gdata,"2D Plot Float"); ajGraphdataSetTitleS(gdata,subt); ajGraphdataSetMinmax(gdata,(float)b1,(float)e1,(float)b2, (float)e2); ajGraphdataSetTruescale(gdata,(float)b1,(float)e1,(float)b2, (float)e2); ajGraphxySetXstartF(xygraph,(float)b1); ajGraphxySetXendF(xygraph,(float)e1); ajGraphxySetYstartF(xygraph,(float)b2); ajGraphxySetYendF(xygraph,(float)e2); ajGraphxySetXrangeII(xygraph,b1,e1); ajGraphxySetYrangeII(xygraph,b2,e2); if(list) { iter = ajListIterNewread(list); while((ppt = ajListIterGet(iter))) { x1 = ppt->x1+b1-1; y1 = ppt->y1+b2-1; x2 = ppt->x2+b1-1; y2 = ppt->y2+b2-1; ajGraphAddLine(xygraph,x1,y1,x2,y2,0); AJFREE(ppt); } ajListIterDel(&iter); } ajGraphdataAddXY(gdata,xa,ya); ajGraphDataReplace(xygraph,gdata); ajGraphxyDisplay(xygraph,ajFalse); ajGraphicsClose(); ajStrDel(&tit); } ajListFree(&list); ajSeqDel(&seq); ajSeqDel(&seq2); ajGraphxyDel(&graph); ajGraphxyDel(&xygraph); ajMatrixDel(&matrix); ajTimeDel(&ajtime); /* deallocate memory */ ajStrDel(&aa0str); ajStrDel(&aa1str); ajStrDel(&se1); ajStrDel(&se2); ajStrDel(&subt); AJFREE(strret); /* created withing ajFmtString */ embExit(); return 0; }
int main(int argc, char **argv) { ajint i; ajint numseq; ajint j = 0; ajint numres; ajint count; ajint k; ajint kmax; float defheight; float currentscale; AjPStr shade = NULL; AjPFloat pair = NULL; AjPGraph graph = NULL; AjPMatrix cmpmatrix = NULL; AjPSeqCvt cvt = NULL; AjPStr matcodes = NULL; AjBool consensus; AjBool colourbyconsensus; AjBool colourbyresidues; AjBool colourbyshade = AJFALSE; AjBool boxit; AjBool boxcol; AjBool portrait; AjBool collision; ajint identity; AjBool listoptions; ajint alternative; AjPStr altstr = NULL; AjPStr sidentity = NULL; AjPStr ssimilarity = NULL; AjPStr sother = NULL; AjPStr sboxcolval = NULL; AjPStr options = NULL; /* ajint showscore = 0; */ ajint iboxcolval = 0; ajint cidentity = RED; ajint csimilarity = GREEN; ajint cother = BLACK; float fxp; float fyp; float yincr; float y; ajint ixlen; ajint iylen; ajint ixoff; ajint iyoff; char res[2] = " "; float *score = 0; float scoremax = 0; float *identical = NULL; ajint identicalmaxindex; float *matching = NULL; ajint matchingmaxindex; float *colcheck = NULL; ajint **matrix; ajint m1 = 0; ajint m2 = 0; ajint ms = 0; ajint highindex = 0; ajint myindex; ajint *previous = 0; AjBool iscons = ajFalse; ajint currentstate = 0; ajint oldfg = 0; float fold = 0.0; ajint *colmat = 0; ajint *shadecolour = 0; /* float identthresh = 1.5; */ /* float simthresh = 1.0; */ /* float relthresh = 0.5; */ float part = 0.0; const char *cptr; ajint resbreak; float fplural; float ystart; float xmin; float xmax; float xmid; AjPTime ajtime; ajint gapcount = 0; ajint countforgap = 0; ajint boxindex; float max; ajint matsize; ajint seqperpage = 0; ajint startseq; ajint endseq; ajint newILend = 0; ajint newILstart; void *freeptr; ajint itmp; embInit("prettyplot", argc, argv); seqset = ajAcdGetSeqset("sequences"); numres = ajAcdGetInt("residuesperline"); resbreak = ajAcdGetInt("resbreak"); ajSeqsetFill(seqset); /* Pads sequence set with gap characters */ numseq = ajSeqsetGetSize(seqset); graph = ajAcdGetGraph("graph"); colourbyconsensus = ajAcdGetBoolean("ccolours"); colourbyresidues = ajAcdGetBoolean("docolour"); shade = ajAcdGetString("shade"); pair = ajAcdGetArray("pair"); identity = ajAcdGetInt("identity"); boxit = ajAcdGetBoolean("box"); ajtime = ajTimeNewTodayFmt("daytime"); ajSeqsetTrim(seqset); /* offset = ajSeqsetGetOffset(seqset); Unused */ ajGraphAppendTitleS(graph, ajSeqsetGetUsa(seqset)); if(boxit) { AJCNEW(seqboxptr, numseq); for(i=0;i<numseq;i++) AJCNEW(seqboxptr[i], ajSeqsetGetLen(seqset)); } boxcol = ajAcdGetBoolean("boxcol"); sboxcolval = ajAcdGetString("boxuse"); if(boxcol) { iboxcolval = ajGraphicsCheckColourS(sboxcolval); if(iboxcolval == -1) iboxcolval = GREY; } consensus = ajAcdGetBoolean("consensus"); if(consensus) { AJCNEW(constr, ajSeqsetGetLen(seqset)+1); constr[0] = '\0'; } shownames = ajAcdGetBoolean("name"); shownumbers = ajAcdGetBoolean("number"); charlen = ajAcdGetInt("maxnamelen"); fplural = ajAcdGetFloat("plurality"); portrait = ajAcdGetBoolean("portrait"); collision = ajAcdGetBoolean("collision"); listoptions = ajAcdGetBoolean("listoptions"); altstr = ajAcdGetListSingle("alternative"); cmpmatrix = ajAcdGetMatrix("matrixfile"); ajStrToInt(altstr, &alternative); matrix = ajMatrixGetMatrix(cmpmatrix); cvt = ajMatrixGetCvt(cmpmatrix); matsize = ajMatrixGetSize(cmpmatrix); AJCNEW(identical,matsize); AJCNEW(matching,matsize); AJCNEW(colcheck,matsize); numgaps = numres/resbreak; numgaps--; if(portrait) { ajGraphicsSetPortrait(1); ystart = (float) 75.0; } else ystart = (float) 75.0; /* pair is an array of three non-negative floats */ /* identthresh = ajFloatGet(pair,0); Unused */ /* simthresh = ajFloatGet(pair,1); Unused */ /* relthresh = ajFloatGet(pair,2); Unused */ /* ** shade is a formatted 4-character string. Characters BLPW only. ** controlled by a pattern in ACD. */ if(ajStrGetLen(shade)) { AJCNEW(shadecolour,4); cptr = ajStrGetPtr(shade); for(i=0;i<4;i++){ if(cptr[i]== 'B' || cptr[i]== 'b') shadecolour[i] = BLACK; else if(cptr[i]== 'L' || cptr[i]== 'l') shadecolour[i] = BROWN; else if(cptr[i]== 'P' || cptr[i]== 'p') shadecolour[i] = WHEAT; else if(cptr[i]== 'W' || cptr[i]== 'w') shadecolour[i] = WHITE; } colourbyconsensus = colourbyresidues = ajFalse; colourbyshade = ajTrue; } /* ** we can colour by consensus or residue but not both ** if we have to choose, use the consensus */ if(colourbyconsensus && colourbyresidues) colourbyconsensus = AJFALSE; sidentity = ajAcdGetString("cidentity"); ssimilarity = ajAcdGetString("csimilarity"); sother = ajAcdGetString("cother"); if(colourbyconsensus) { cidentity = ajGraphicsCheckColourS(sidentity); if(cidentity == -1) cidentity = RED; csimilarity = ajGraphicsCheckColourS(ssimilarity); if(csimilarity == -1) csimilarity = GREEN; cother = ajGraphicsCheckColourS(sother); if(cother == -1) cother = BLACK; } else if(colourbyresidues) { matcodes = ajMatrixGetCodes(cmpmatrix); if(ajSeqsetIsProt(seqset)) colmat = ajGraphicsBasecolourNewProt(matcodes); else colmat = ajGraphicsBasecolourNewNuc(matcodes); } /* output the options used as the subtitle for the bottom of the graph */ if(listoptions) { ajStrAssignC(&options,""); ajFmtPrintAppS(&options,"-plurality %.1f",fplural); if(collision) ajStrAppendC(&options," -collision"); else ajStrAppendC(&options," -nocollision"); if(boxit) ajStrAppendC(&options," -box"); else ajStrAppendC(&options," -nobox"); if(boxcol) ajStrAppendC(&options," -boxcol"); else ajStrAppendC(&options," -noboxcol"); if(colourbyconsensus) ajStrAppendC(&options," -colbyconsensus"); else if(colourbyresidues) ajStrAppendC(&options," -colbyresidues"); else if(colourbyshade) ajStrAppendC(&options," -colbyshade"); else ajStrAppendC(&options," -nocolour"); if(alternative==2) ajStrAppendC(&options," -alt 2"); else if(alternative==1) ajStrAppendC(&options," -alt 1"); else if(alternative==3) ajStrAppendC(&options," -alt 3"); } AJCNEW(seqcolptr, numseq); for(i=0;i<numseq;i++) AJCNEW(seqcolptr[i], ajSeqsetGetLen(seqset)); AJCNEW(seqcharptr, numseq); AJCNEW(seqnames, numseq); AJCNEW(score, numseq); AJCNEW(previous, numseq); AJCNEW(seqcount, numseq); for(i=0;i<numseq;i++) { ajSeqsetFmtUpper(seqset); seqcharptr[i] = ajSeqsetGetseqSeqC(seqset, i); seqnames[i] = 0; ajStrAppendS(&seqnames[i],ajSeqsetGetseqNameS(seqset, i)); ajStrTruncateLen(&seqnames[i],charlen); previous[i] = 0; seqcount[i] = 0; } /* ** user will pass the number of residues to fit a page ** therefore we now need to calculate the size of the chars ** based on this and get the new char width. ** 'charlen' maximum characters for the name (truncated above) */ ajGraphicsGetCharsize(&defheight,¤tscale); xmin = -charlen - (float)2.0; xmax = (float)numres+(float)11.0+(float)(numres/resbreak); xmid = (xmax + xmin)/(float)2.0; ajGraphOpenWin(graph, xmin, xmax, (float)0.0, ystart+(float)1.0); ajGraphGetParamsPage(graph, &fxp,&fyp,&ixlen,&iylen,&ixoff,&iyoff); if(portrait) { itmp = ixlen; ixlen = iylen; iylen = itmp; } ajGraphicsGetCharsize(&defheight,¤tscale); ajGraphicsSetCharscale(((float)ixlen/((float)(numres+charlen+1)* (currentscale * (float) 1.5)))/ currentscale); /* ajGraphicsSetCharscale(((float)ixlen/((float)(numres+charlen)* (currentscale+(float)1.0)))/ currentscale); */ ajGraphicsGetCharsize(&defheight,¤tscale); yincr = (currentscale + (float)3.0)*(float)0.3; /* ** If we have titles (now the standard graph title and subtitle and footer) ** leave 7 rows of space for them */ y=ystart-(float)7.0; if(ajStrGetLen(options)) { fold = ajGraphicsSetCharscale(1.0); ajGraphicsDrawposTextAtmid(xmid,2.0, ajStrGetPtr(options)); ajGraphicsSetCharscale(fold); } /* if sequences per page not set then calculate it */ if(!seqperpage) { seqperpage = prettyplot_calcseqperpage(yincr,y,consensus); if(seqperpage>numseq) seqperpage=numseq; } count = 0; /* ** for boxes we need to set a foreground colour for the box lines ** and save the current foreground colour */ if(boxit && boxcol) oldfg = ajGraphicsSetFgcolour(iboxcolval); /* ** step through each residue position */ kmax = ajSeqsetGetLen(seqset) - 1; for(k=0; k<= kmax; k++) { /* reset column score array */ for(i=0;i<numseq;i++) score[i] = 0.0; /* reset matrix character testing arrays */ for(i=0;i<matsize;i++) { identical[i] = 0.0; matching[i] = 0.0; colcheck[i] = 0.0; } /* generate a score for this residue in each sequence */ for(i=0;i<numseq;i++) { m1 = ajSeqcvtGetCodeK(cvt, seqcharptr[i][k]); for(j=0;j<numseq;j++) { m2 = ajSeqcvtGetCodeK(cvt, seqcharptr[j][k]); if(m1 && m2) score[i] += (float)matrix[m1][m2]* ajSeqsetGetseqWeight(seqset, j); } if(m1) identical[m1] += ajSeqsetGetseqWeight(seqset, i); } /* find the highest score */ highindex = -1; scoremax = INT_MIN; /*ajDebug("Scores at position %d:\n", k);*/ for(i=0;i<numseq;i++) { /*ajDebug(" seq %d: '%c' %f\n",i,seqcharptr[i][k],score[i]);*/ if(score[i] > scoremax) { scoremax = score[i]; highindex = i; } } for(i=0;i<numseq;i++) { m1 = ajSeqcvtGetCodeK(cvt, seqcharptr[i][k]); if(!matching[m1]) { for(j=0;j<numseq;j++) { m2 = ajSeqcvtGetCodeK(cvt, seqcharptr[j][k]); if(m1 && m2 && matrix[m1][m2] > 0) matching[m1] += ajSeqsetGetseqWeight(seqset, j); } } } /* find highs for matching and identical */ matchingmaxindex = 0; identicalmaxindex = 0; for(i=0;i<numseq;i++) { m1 = ajSeqcvtGetCodeK(cvt, seqcharptr[i][k]); if(identical[m1] > identical[identicalmaxindex]) identicalmaxindex = m1; } for(i=0;i<numseq;i++) { m1 = ajSeqcvtGetCodeK(cvt, seqcharptr[i][k]); if(matching[m1] > matching[matchingmaxindex]) matchingmaxindex = m1; else if(matching[m1] == matching[matchingmaxindex]) { if(identical[m1] > identical[matchingmaxindex]) matchingmaxindex= m1; } } iscons = ajFalse; boxindex = -1; max = -3; ajDebug("k:%2d highindex:%2d matching:%4.2f\n", k, highindex, matching[ajSeqcvtGetCodeK(cvt, seqcharptr[highindex][k])]); if(highindex != -1 && matching[ajSeqcvtGetCodeK(cvt, seqcharptr[highindex][k])] >= fplural) { iscons = ajTrue; boxindex = highindex; } else { for(i=0;i<numseq;i++) { m1 = ajSeqcvtGetCodeK(cvt, seqcharptr[i][k]); if(matching[m1] > max) { max = matching[m1]; highindex = i; } else if(matching[m1] == max) { if(identical[m1] > identical[ajSeqcvtGetCodeK(cvt, seqcharptr[highindex][k])] ) { max = matching[m1]; highindex = i; } } } if(matching[ajSeqcvtGetCodeK(cvt, seqcharptr[highindex][k])] >= fplural) { iscons = ajTrue; boxindex = highindex; } } if(iscons) { if(!collision) { /* check for collisions */ if(alternative == 1) { /* check to see if this is unique for collisions */ for(i=0;i<numseq;i++) { m1 = ajSeqcvtGetCodeK(cvt, seqcharptr[i][k]); if(identical[m1] >= identical[identicalmaxindex] && m1 != identicalmaxindex) iscons = ajFalse; } /*ajDebug("after (alt=1) iscons: %B",iscons);*/ } else if(alternative == 2) { for(i=0;i<numseq;i++) { m1 = ajSeqcvtGetCodeK(cvt, seqcharptr[i][k]); if((matching[m1] >= matching[matchingmaxindex] && m1 != matchingmaxindex && matrix[m1][matchingmaxindex] < 0.1)|| (identical[m1] >= identical[matchingmaxindex] && m1 != matchingmaxindex)) iscons = ajFalse; } } else if(alternative == 3) { /* ** to do this check one is NOT in consensus to see if ** another score of fplural has been found */ ms = ajSeqcvtGetCodeK(cvt, seqcharptr[highindex][k]); for(i=0;i<numseq;i++) { m1 = ajSeqcvtGetCodeK(cvt, seqcharptr[i][k]); if(ms != m1 && colcheck[m1] == 0.0) /* NOT in the current consensus */ for(j=0;j<numseq;j++) { m2 = ajSeqcvtGetCodeK(cvt, seqcharptr[j][k]); if( matrix[ms][m2] < 0.1) { /* NOT in the current consensus */ if( matrix[m1][m2] > 0.1) colcheck[m1] += ajSeqsetGetseqWeight(seqset, j); } } } for(i=0;i<numseq;i++) { m1 = ajSeqcvtGetCodeK(cvt, seqcharptr[i][k]); /* if any other matches then we have a collision */ if(colcheck[m1] >= fplural) iscons = ajFalse; } /*ajDebug("after alt=2 iscons: %B", iscons);*/ } else { for(i=0;i<numseq;i++) { m1 = ajSeqcvtGetCodeK(cvt, seqcharptr[i][k]); if((matching[m1] >= matching[matchingmaxindex] && m1 != matchingmaxindex && matrix[m1][matchingmaxindex] < 0.1)) iscons = ajFalse; if(identical[m1] >= identical[matchingmaxindex] && m1 != matchingmaxindex && matrix[m1][matchingmaxindex] > 0.1) iscons = ajFalse; } if(!iscons) { /* matches failed try identicals */ if(identical[identicalmaxindex] >= fplural) { iscons = ajTrue; /* ** if nothing has an equal or higher match that ** does not match highest then false */ for(i=0;i<numseq;i++) { m1 = ajSeqcvtGetCodeK(cvt, seqcharptr[i][k]); if(identical[m1] >= identical[identicalmaxindex] && m1 != identicalmaxindex) iscons = ajFalse; else if(matching[m1] >= matching[identicalmaxindex] && matrix[m1][matchingmaxindex] <= 0.0) iscons = ajFalse; else if(m1 == identicalmaxindex) j = i; } if(iscons) highindex = j; } } } } if(identity) { j = 0; for(i=0;i<numseq;i++) if(seqcharptr[highindex][k] == seqcharptr[i][k]) j++; if(j<identity) iscons = ajFalse; } } /* ** Done a full line of residues ** Boxes have been defined up to this point */ if(count >= numres ) { /* check y position for next set */ y=y-(yincr*((float)numseq+(float)2.0+((float)consensus*(float)2))); if(y<yincr*((float)numseq+(float)2.0+((float)consensus*(float)2))) { /* full page - print it */ y=ystart-(float)6.0; startseq = 0; endseq = seqperpage; newILstart = newILend; newILend = k; while(startseq < numseq) { /* AJB */ /*if(startseq != 0) ajGraphNewpage(graph, AJFALSE);*/ /*ajDebug("Inner loop: startseq: %d numseq: %d endseq: %d\n", startseq, numseq, endseq);*/ if(endseq>numseq) endseq=numseq; prettyplot_fillinboxes(numseq,ajSeqsetGetLen(seqset), startseq,endseq, newILstart,newILend, numres,resbreak, boxit,boxcol,consensus, ystart,yincr,cvt); startseq = endseq; endseq += seqperpage; ajGraphNewpage(graph, AJFALSE); } } count = 0; gapcount = 0; } count++; countforgap++; for(j=0;j<numseq;j++) { /* START OF BOXES */ if(boxit) { seqboxptr[j][k] = 0; if(boxindex!=-1) { myindex = boxindex; if(matrix[ajSeqcvtGetCodeK(cvt, seqcharptr[j][k])] [ajSeqcvtGetCodeK(cvt, seqcharptr[myindex][k])] > 0) part = 1.0; else { if(identical[ajSeqcvtGetCodeK(cvt, seqcharptr[j][k])] >= fplural) part = 1.0; else part = 0.0; } if(previous[j] != part) /* draw vertical line */ seqboxptr[j][k] |= BOXLEF; if(j==0) { /* special case for horizontal line */ if(part) { currentstate = 1; /* draw hori line */ seqboxptr[j][k] |= BOXTOP; } else currentstate = 0; } else { /* j != 0 Normal case for horizontal line */ if(part != currentstate) { /*draw hori line */ seqboxptr[j][k] |= BOXTOP; currentstate = (ajint) part; } } if(j== numseq-1 && currentstate) /* draw horiline at bottom */ seqboxptr[j][k] |= BOXBOT; previous[j] = (ajint) part; } else { part = 0; if(previous[j]) { /* draw vertical line */ seqboxptr[j][k] |= BOXLEF; } previous[j] = 0; } if(count == numres || k == kmax || countforgap >= resbreak ) { /* last one on the row or a break*/ if(previous[j]) { /* draw vertical line */ seqboxptr[j][k] |= BOXRIG; } previous[j] = 0; } } /* end box */ if(boxit && boxcol) if(boxindex != -1) { myindex = boxindex; if(matrix[ajSeqcvtGetCodeK(cvt, seqcharptr[j][k])] [ajSeqcvtGetCodeK(cvt, seqcharptr[myindex][k])] > 0 || identical[ajSeqcvtGetCodeK(cvt, seqcharptr[j][k])] >= fplural ) seqboxptr[j][k] |= BOXCOLOURED; } /* END OF BOXES */ if(ajSeqcvtGetCodeK(cvt, seqcharptr[j][k])) res[0] = seqcharptr[j][k]; else res[0] = '-'; if(colourbyconsensus) { part = (float) matrix[ajSeqcvtGetCodeK(cvt, seqcharptr[j][k])] [ajSeqcvtGetCodeK(cvt, seqcharptr[highindex][k])]; if(iscons && seqcharptr[highindex][k] == seqcharptr[j][k]) seqcolptr[j][k] = cidentity; else if(part > 0.0) seqcolptr[j][k] = csimilarity; else seqcolptr[j][k] = cother; } else if(colourbyresidues) seqcolptr[j][k] = colmat[ajSeqcvtGetCodeK(cvt, seqcharptr[j][k])]; else if(iscons && colourbyshade) { part = (float) matrix[ajSeqcvtGetCodeK(cvt, seqcharptr[j][k])] [ajSeqcvtGetCodeK(cvt, seqcharptr[highindex][k])]; if(part >= 1.5) seqcolptr[j][k] = shadecolour[0]; else if(part >= 1.0) seqcolptr[j][k] = shadecolour[1]; else if(part >= 0.5) seqcolptr[j][k] = shadecolour[2]; else seqcolptr[j][k] = shadecolour[3]; } else if(colourbyshade) seqcolptr[j][k] = shadecolour[3]; else seqcolptr[j][k] = BLACK; } if(consensus) { if(iscons) res[0] = seqcharptr[highindex][k]; else res[0] = '-'; strcat(constr,res); } if(countforgap >= resbreak) { gapcount++; countforgap=0; } } startseq = 0; endseq=seqperpage; newILstart = newILend; newILend = k; while(startseq < numseq) { if(startseq) ajGraphNewpage(graph, AJFALSE); /*ajDebug("Final loop: startseq: %d numseq: %d endseq: %d\n", startseq, numseq, endseq);*/ if(endseq>numseq) endseq = numseq; prettyplot_fillinboxes(numseq,ajSeqsetGetLen(seqset), startseq,endseq, newILstart,newILend, numres,resbreak, boxit,boxcol,consensus, ystart,yincr,cvt); startseq = endseq; endseq += seqperpage; } ajGraphicsGetCharsize(&defheight,¤tscale); if(boxit && boxcol) oldfg = ajGraphicsSetFgcolour(oldfg); ajGraphicsCloseWin(); ajGraphxyDel(&graph); ajStrDel(&sidentity); ajStrDel(&ssimilarity); ajStrDel(&sother); ajStrDel(&options); ajStrDel(&altstr); ajStrDel(&matcodes); for(i=0;i<numseq;i++) { ajStrDel(&seqnames[i]); AJFREE(seqcolptr[i]); if(seqboxptr) AJFREE(seqboxptr[i]); } AJFREE(seqcolptr); AJFREE(seqboxptr); AJFREE(seqnames); AJFREE(score); AJFREE(previous); AJFREE(seqcount); AJFREE(colmat); AJFREE(shadecolour); freeptr = (void *) seqcharptr; AJFREE(freeptr); AJFREE(identical); AJFREE(matching); AJFREE(colcheck); ajSeqsetDel(&seqset); ajMatrixDel(&cmpmatrix); ajStrDel(&shade); ajStrDel(&sboxcolval); ajStrDel(&sidentity); ajStrDel(&ssimilarity); ajStrDel(&sother); ajFloatDel(&pair); ajTimeDel(&ajtime); AJFREE(constr); embExit(); return 0; }
int main(int argc, char **argv) { AjPSeqset seqset; const AjPSeq seq1; const AjPSeq seq2; ajint wordlen; AjPTable seq1MatchTable = NULL; AjPList matchlist ; AjPGraph graph = 0; ajuint i; ajuint j; float total=0; ajuint acceptableticks[]= { 1,10,50,100,200,500,1000,1500,10000,50000, 100000,500000,1000000,5000000 }; ajint numbofticks = 10; ajint gap,tickgap; AjBool boxit = AJTRUE; AjBool dumpfeat = AJFALSE; float xmargin; float ymargin; float k; char ptr[10]; float ticklen; float onefifth; AjPFeattable *tabptr = NULL; AjPFeattabOut seq1out = NULL; AjPStr sajb = NULL; float flen1; float flen2; ajuint tui; embInit("polydot", argc, argv); wordlen = ajAcdGetInt("wordsize"); seqset = ajAcdGetSeqset("sequences"); graph = ajAcdGetGraph("graph"); gap = ajAcdGetInt("gap"); boxit = ajAcdGetBoolean("boxit"); seq1out = ajAcdGetFeatout("outfeat"); dumpfeat = ajAcdGetToggle("dumpfeat"); sajb = ajStrNew(); embWordLength(wordlen); AJCNEW(lines,ajSeqsetGetSize(seqset)); AJCNEW(pts,ajSeqsetGetSize(seqset)); AJCNEW(tabptr,ajSeqsetGetSize(seqset)); for(i=0;i<ajSeqsetGetSize(seqset);i++) { seq1 = ajSeqsetGetseqSeq(seqset, i); total += ajSeqGetLen(seq1); } total +=(float)(gap*(ajSeqsetGetSize(seqset)-1)); xmargin = total*(float)0.15; ymargin = total*(float)0.15; ticklen = xmargin*(float)0.1; onefifth = xmargin*(float)0.2; i = 0; while(acceptableticks[i]*numbofticks < ajSeqsetGetLen(seqset)) i++; if(i<=13) tickgap = acceptableticks[i]; else tickgap = acceptableticks[13]; ajGraphAppendTitleS(graph, ajSeqsetGetUsa(seqset)); ajGraphOpenWin(graph, (float)0.0-xmargin,(total+xmargin)*(float)1.35, (float)0.0-ymargin, total+ymargin); ajGraphicsSetCharscale((float)0.3); for(i=0;i<ajSeqsetGetSize(seqset);i++) { which = i; seq1 = ajSeqsetGetseqSeq(seqset, i); tui = ajSeqGetLen(seq1); flen1 = (float) tui; if(embWordGetTable(&seq1MatchTable, seq1)){ /* get table of words */ for(j=0;j<ajSeqsetGetSize(seqset);j++) { seq2 = ajSeqsetGetseqSeq(seqset, j); tui = ajSeqGetLen(seq2); flen2 = (float) tui; if(boxit) ajGraphicsDrawposRect(xstart,ystart, xstart+flen1, ystart+flen2); matchlist = embWordBuildMatchTable(seq1MatchTable, seq2, ajTrue); if(matchlist) polydot_plotMatches(matchlist); if(i<j && dumpfeat) embWordMatchListConvToFeat(matchlist,&tabptr[i], &tabptr[j],seq1, seq2); if(matchlist) /* free the match structures */ embWordMatchListDelete(&matchlist); if(j==0) { for(k=0.0;k<ajSeqGetLen(seq1);k+=tickgap) { ajGraphicsDrawposLine(xstart+k,ystart,xstart+k, ystart-ticklen); sprintf(ptr,"%d",(ajint)k); ajGraphicsDrawposTextAtmid(xstart+k, ystart-(onefifth), ptr); } ajGraphicsDrawposTextAtmid( xstart+(flen1/(float)2.0), ystart-(3*onefifth), ajStrGetPtr(ajSeqsetGetseqNameS(seqset, i))); } if(i==0) { for(k=0.0;k<ajSeqGetLen(seq2);k+=tickgap) { ajGraphicsDrawposLine(xstart,ystart+k,xstart-ticklen, ystart+k); sprintf(ptr,"%d",(ajint)k); ajGraphicsDrawposTextAtend(xstart-(onefifth), ystart+k, ptr); } ajGraphicsDrawposTextAtlineJustify( xstart-(3*onefifth), ystart+(flen2/(float)2.0), xstart-(3*onefifth),ystart+flen2, ajStrGetPtr(ajSeqsetGetseqNameS(seqset, j)),0.5); } ystart += flen2+(float)gap; } } embWordFreeTable(&seq1MatchTable); seq1MatchTable = NULL; xstart += flen1+(float)gap; ystart = 0.0; } ajGraphicsDrawposTextAtstart(total+onefifth,total-(onefifth), "No. Length Lines Points Sequence"); for(i=0;i<ajSeqsetGetSize(seqset);i++) { seq1 = ajSeqsetGetseqSeq(seqset, i); ajFmtPrintS(&sajb,"%3u %6d %5d %6d %s",i+1, ajSeqGetLen(seq1),lines[i], pts[i],ajSeqGetNameC(seq1)); ajGraphicsDrawposTextAtstart(total+onefifth,total-(onefifth*(i+2)), ajStrGetPtr(sajb)); } if(dumpfeat && seq1out) { for(i=0;i<ajSeqsetGetSize(seqset);i++) { ajFeattableWrite(seq1out, tabptr[i]); ajFeattableDel(&tabptr[i]); } } ajGraphicsClose(); ajGraphxyDel(&graph); ajStrDel(&sajb); AJFREE(lines); AJFREE(pts); AJFREE(tabptr); ajSeqsetDel(&seqset); ajFeattabOutDel(&seq1out);; embExit(); return 0; }
int main(int argc, char **argv) { AjPSeq seq = NULL; AjPStr strand = NULL; AjPStr substr = NULL; AjPStr squares = NULL; AjPStr diamonds = NULL; AjPStr octags = NULL; AjBool amphipathic; AjPStr txt = NULL; AjPGraph graph = NULL; ajint begin; ajint end; ajint lc; ajint i; ajint j; ajint r; ajint count; ajint pstart; ajint pstop; float xmin = 0.0; float xmax = 150.0; float ymin = 0.0; float ymax = 112.5; float xstart; float ystart; float ch = (float)1.8; float xinc; float yinc; AjPStr fstr = NULL; float x; float y; embInit("pepnet", argc, argv); seq = ajAcdGetSeq("sequence"); graph = ajAcdGetGraph("graph"); octags = ajAcdGetString("octags"); squares = ajAcdGetString("squares"); diamonds = ajAcdGetString("diamonds"); amphipathic = ajAcdGetToggle("amphipathic"); ajStrFmtUpper(&octags); ajStrFmtUpper(&squares); ajStrFmtUpper(&diamonds); if(amphipathic) { ajStrAssignC(&squares,"ACFGILMVWY"); ajStrAssignC(&diamonds,""); ajStrAssignC(&octags,""); } substr = ajStrNew(); txt = ajStrNew(); fstr = ajStrNew(); begin = ajSeqGetBegin(seq); end = ajSeqGetEnd(seq); strand = ajSeqGetSeqCopyS(seq); ajStrFmtUpper(&strand); ajStrAssignSubC(&substr,ajStrGetPtr(strand),begin-1,end-1); ajGraphAppendTitleS(graph, ajSeqGetUsaS(seq)); ajGraphOpenWin(graph, xmin,xmax,ymin,ymax); for(count=begin-1,r=0;count<end;count+=231) { if (count > begin) ajGraphNewpage(graph, ajFalse); pstart=count; pstop = AJMIN(end-1, count+230); ajGraphicsSetCharscale(0.75); xstart = 145.0; ystart = 80.0; yinc = ch * (float)2.5; xinc = yinc / (float)2.5; x = xstart; for(i=pstart;i<=pstop;i+=7) { lc = i; if(x < 10.0*xinc) { x = xstart; ystart -= (float)7.5*yinc; } y=ystart; ajFmtPrintS(&txt,"%d",i+1); ajGraphicsSetFgcolour(RED); ajGraphicsDrawposTextJustify(x-xinc,y-yinc-1,ajStrGetPtr(txt),0.5); for(j=0;j<4;++j) { x -= xinc; y += yinc; if(lc <= pstop) pepnet_plotresidue(*(ajStrGetPtr(substr)+r),x,y, ajStrGetPtr(squares),ajStrGetPtr(octags), ajStrGetPtr(diamonds)); ++r; ++lc; } y=ystart+yinc/(float)2.0; for(j=4;j<7;++j) { x -= xinc; y += yinc; if(lc <= pstop) pepnet_plotresidue(*(ajStrGetPtr(substr)+r),x,y, ajStrGetPtr(squares),ajStrGetPtr(octags), ajStrGetPtr(diamonds)); ++r; ++lc; } } } ajGraphicsClose(); ajGraphxyDel(&graph); ajStrDel(&strand); ajStrDel(&fstr); ajSeqDel(&seq); ajStrDel(&substr); ajStrDel(&squares); ajStrDel(&diamonds); ajStrDel(&octags); ajStrDel(&txt); embExit(); return 0; }
int main(int argc, char **argv) { AjPSeq seq = NULL; AjPStr strand = NULL; AjPStr substr = NULL; AjPStr squares = NULL; AjPStr diamonds = NULL; AjPStr octags = NULL; AjBool wheel; AjBool amphipathic; AjPGraph graph=0; AjBool first; AjBool startloop; ajint begin; ajint end; ajint len; ajint steps; ajint turns; ajint lc; ajint i; ajint j; ajint k; float xmin = (float) -1.0; float xmax = (float) 1.0; float ymin = (float) -0.75; float ymax = (float) 0.75; float minresplot = (float) 36.0; float resgap = (float) 0.0533; float wheelgap = (float) 0.00; float nresgap = (float) 0.08; float angle; float oldangle; float ang; float radius; float wradius; float xx1; float xx2; float yy1; float yy2; embInit("pepwheel", argc, argv); seq = ajAcdGetSeq("sequence"); steps = ajAcdGetInt("steps"); turns = ajAcdGetInt("turns"); graph = ajAcdGetGraph("graph"); octags = ajAcdGetString("octags"); squares = ajAcdGetString("squares"); diamonds = ajAcdGetString("diamonds"); wheel = ajAcdGetBoolean("wheel"); amphipathic = ajAcdGetToggle("amphipathic"); ajStrFmtUpper(&octags); ajStrFmtUpper(&squares); ajStrFmtUpper(&diamonds); if(amphipathic) { ajStrAssignC(&squares,"ACFGILMVWY"); ajStrAssignC(&diamonds,""); ajStrAssignC(&octags,""); } substr = ajStrNew(); begin = ajSeqGetBegin(seq); end = ajSeqGetEnd(seq); ajDebug("begin: %d end: %d\n", begin, end); strand = ajSeqGetSeqCopyS(seq); ajStrFmtUpper(&strand); ajStrAssignSubC(&substr,ajStrGetPtr(strand),begin-1,end-1); len = ajStrGetLen(substr); ajGraphAppendTitleS(graph, ajSeqGetUsaS(seq)); ajGraphOpenWin(graph,xmin,xmax,ymin,ymax); ajGraphicsSetFgcolour(AJB_BLACK); ang = ((float)360.0 / (float)steps) * (float)turns; first = ajTrue; angle = (float) 90.0 + ang; if(end-begin > (ajint)minresplot) wradius = (float) 0.2; else wradius = (float) 0.40; for(i=0,lc=0,radius=wradius+wheelgap;i<len;i+=steps) { wradius += wheelgap; startloop = ajTrue; k = AJMIN(i+steps, end); for(j=i;j<k;++j) { oldangle = angle; angle = oldangle-ang; if(first) startloop = first = ajFalse; else { if(startloop) { if(wheel) { ajCvtPolToRec(wradius-wheelgap,oldangle,&xx1,&yy1); ajCvtPolToRec(wradius,angle,&xx2,&yy2); ajGraphicsDrawposLine(xx1,yy1,xx2,yy2); } startloop=ajFalse; } else if(wheel) { ajCvtPolToRec(wradius,oldangle,&xx1,&yy1); ajCvtPolToRec(wradius,angle,&xx2,&yy2); ajGraphicsDrawposLine(xx1,yy1,xx2,yy2); } } pepwheel_plotresidue(*(ajStrGetPtr(substr)+lc),radius+resgap,angle, ajStrGetPtr(squares),ajStrGetPtr(octags), ajStrGetPtr(diamonds), xmin,xmax,ymin,ymax); ++lc; if(lc==len) break; } radius += nresgap; } ajGraphicsClose(); ajGraphxyDel(&graph); ajStrDel(&strand); ajStrDel(&substr); ajSeqDel(&seq); ajStrDel(&squares); ajStrDel(&diamonds); ajStrDel(&octags); embExit(); return 0; }
int main(int argc, char **argv) { AjPGraphdata graphdata; ajint i; AjPGraph mult; AjBool overlap; embInit("testplot", argc, argv); mult = ajAcdGetGraphxy("graph"); ipoints = ajAcdGetInt("points"); overlap = ajAcdGetBoolean("overlap"); ajUser("Plotting sin, cos and tan for %d degrees",ipoints); /* Create multiple graph store for a set of graphs */ /* This is used for drawing several graphs in one window */ /* create a new graph */ graphdata = ajGraphdataNewI(ipoints); /* add graph to list in a multiple graph */ ajGraphDataAdd(mult,graphdata); /* set overlap based on bool*/ ajGraphxySetflagOverlay(mult, overlap); /* create the point values for this graph */ for(i=0;i<ipoints; i++) { graphdata->x[i] = (float)i; graphdata->y[i] = sin(ajCvtDegToRad(i)); } /* embGraphSetData(graphdata,&array[0][0]);*/ ajGraphdataSetYlabelC(graphdata,"SINE(degrees)"); ajGraphdataSetXlabelC(graphdata,"degrees"); ajGraphdataSetTitleC(graphdata,"hello"); ajGraphdataSetColour(graphdata,GREEN); if(!overlap) { ajGraphdataAddposRect(graphdata,70.0,0.55,80.0,0.45,GREEN,1); ajGraphdataAddposTextC(graphdata,82.0,0.5,GREEN,"Sine"); } graphdata = ajGraphdataNewI(ipoints); ajGraphDataAdd(mult,graphdata); for(i=0;i<ipoints; i++) { graphdata->x[i] = (float)i; graphdata->y[i] = cos(ajCvtDegToRad((float)i)); } ajGraphdataSetXlabelC(graphdata,"degrees"); ajGraphdataSetYlabelC(graphdata,"COS(degrees)"); ajGraphdataSetTitleC(graphdata,"hello"); ajGraphdataSetColour(graphdata,RED); if(!overlap) { ajGraphdataAddposLine(graphdata,5.0,0.1,15.0,0.1,RED); ajGraphdataAddposTextC(graphdata,17.0,0.1,RED,"Cosine"); } /* now set larger axis than needed */ ajGraphdataSetMinmax(graphdata,0.0,(float)ipoints,-0.5,1.5); graphdata = ajGraphdataNewI(ipoints); ajGraphdataSetLinetype(graphdata, 3); ajGraphDataAdd(mult,graphdata); for(i=0;i<ipoints; i++) { graphdata->x[i] = (float)i; graphdata->y[i] = (tan(ajCvtDegToRad(i))*0.2); } ajGraphdataSetXlabelC(graphdata,"degrees"); ajGraphdataSetYlabelC(graphdata,"TAN(degrees)"); ajGraphdataSetTitleC(graphdata,"hello"); ajGraphdataSetLinetype(graphdata, 2); ajGraphdataSetColour(graphdata,BLUE); if(!overlap) { ajGraphdataAddposRect(graphdata,5.0,9.0,15.0,8.5,BLUE,0); ajGraphdataAddposTextC(graphdata,17.0,8.75,BLUE,"Tangent"); } ajGraphSetYlabelC(mult,"sin,cos,tan"); ajGraphSetXlabelC(mult,"degrees"); ajGraphSetTitleC(mult,"Trig functions"); ajGraphxySetYstartF(mult,0.0); ajGraphxySetYendF(mult,2.0); if(overlap) { ajGraphAddRect(mult,5.0,9.0,15.0,8.5,BLUE,0); ajGraphAddRect(mult,5.0,8.0,15.0,7.5,GREEN,1); ajGraphAddLine(mult,5.0,6.75,15.0,6.75,RED); ajGraphAddTextC(mult,17.0,8.75,BLUE,"Tangent"); ajGraphAddTextC(mult,17.0,7.75,GREEN,"Sine"); ajGraphAddTextC(mult,17.0,6.75,RED,"Cosine"); } ajGraphxyDisplay(mult,AJTRUE); ajGraphxyDel(&mult); embExit(); return 0; }