示例#1
0
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,&currentheight);
	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,&currentheight);

	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)
{
    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,&currentscale);

    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,&currentscale);

    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,&currentscale);

    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,&currentscale);

    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;
}
示例#3
0
文件: pepnet.c 项目: WenchaoLin/JAMg
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;
}
示例#4
0
文件: polydot.c 项目: WenchaoLin/JAMg
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;
}
示例#5
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;
}