int main(int argc, char **argv)
{
AjPSeqset seqset;
AjPSeqall seqall;
AjPSeq seq;
ajint i = 0;
AjPStr kimout = NULL;
AjPStr dir = NULL;
AjPFile obofile = NULL;
AjPFile resfile = NULL;
AjPDir taxdir = NULL;
embInit("ajtest", argc, argv);
seqall = ajAcdGetSeqall ("sequence");
seqset = ajAcdGetSeqset ("bsequence");
dir = ajAcdGetOutdirName("outdir");
obofile = ajAcdGetInfile ("obofile");
taxdir = ajAcdGetDirectory ("taxdir");
resfile = ajAcdGetInfile ("dbxreffile");
ajUser("Directory '%S'", dir);
ajUser("Set of %d", ajSeqsetGetSize(seqset));
while(ajSeqallNext (seqall, &seq))
{
ajUser ("%3d <%S>", i++, ajSeqGetUsaS(seq));
ajFmtPrintS(&kimout, "kim%d.out", i);
ajtest_kim (kimout, seq);
}
ajSeqDel(&seq);
ajSeqallDel(&seqall);
ajSeqsetDel(&seqset);
ajStrDel(&kimout);
ajStrDel(&dir);
if(taxdir)
ajTaxLoad(taxdir);
ajDirDel(&taxdir);
if(obofile)
ajOboParseObofile(obofile, "");
ajFileClose(&obofile);
if(resfile)
ajResourceParse(resfile, "");
ajFileClose(&resfile);
embExit();
return 0;
}
int main(int argc, char **argv)
{
/* Variable Declarations */
AjPSeqset seqset = NULL;
AjPAlign align = NULL;
AjPStr name = NULL;
AjPStr comment = NULL;
AjBool append = ajFalse;
AjPStr header = NULL;
/* ACD File Processing */
embInit("aligncopy", argc, argv);
seqset = ajAcdGetSeqset("sequences");
align = ajAcdGetAlign("outfile");
name = ajAcdGetString("name");
comment = ajAcdGetString("comment");
append = ajAcdGetBoolean("append");
/* Application logic */
ajAlignDefine(align, seqset);
if(ajStrGetLen(name))
ajFmtPrintS(&header, "Alignment: %S\n\n", name);
ajStrAppendS(&header, comment);
if(append)
ajAlignSetHeaderApp(align, header);
else
ajAlignSetHeader(align, header);
ajAlignWrite(align);
ajAlignClose(align);
/* Memory management and exit */
ajSeqsetDel(&seqset);
ajAlignDel(&align);
ajStrDel(&name);
ajStrDel(&comment);
ajStrDel(&header);
embExit();
return 0;
}
int main(int argc, char **argv)
{
/* Variable Declarations */
AjPSeqset seqset = NULL;
AjPSeqout seqout = NULL;
AjBool bigfirst;
ajuint nseqs;
ajuint i;
/* ACD File Processing */
embInit("sizeseq", argc, argv);
seqset = ajAcdGetSeqset("sequences");
bigfirst = ajAcdGetBoolean("descending");
seqout = ajAcdGetSeqoutall("outseq");
/* Application logic */
ajSeqsetSortLen(seqset);
nseqs = ajSeqsetGetSize(seqset);
if(bigfirst)
{
for(i=nseqs; i>0; i--)
ajSeqoutWriteSeq(seqout, ajSeqsetGetseqSeq(seqset,i-1));
}
else
{
for(i=0; i<nseqs; i++)
ajSeqoutWriteSeq(seqout, ajSeqsetGetseqSeq(seqset,i));
}
/* Memory management and exit */
ajSeqsetDel(&seqset);
ajSeqoutClose(seqout);
ajSeqoutDel(&seqout);
embExit();
return 0;
}
int main(int argc, char **argv)
{
AjPSeqset seqset = NULL;
AjPStr refseq; /* input name/number of reference sequence */
ajint nrefseq; /* numeric reference sequence */
AjPMatrix matrix; /* scoring matrix structure */
ajint **sub; /* integer scoring matrix */
AjPSeqCvt cvt = 0; /* conversion table for scoring matrix */
float identity;
ajint ident;
float fplural;
AjPStr cons;
AjPSeq consensus;
const AjPSeq ref;
const AjPSeq seq;
ajuint i;
AjBool html;
AjBool doheader;
AjBool dousa;
AjBool doname;
AjBool doseqlength;
AjBool doalignlength;
AjBool dogaps;
AjBool dogapcount;
AjBool doidcount;
AjBool dosimcount;
AjBool dodifcount;
AjBool dochange;
AjBool dodesc;
AjBool dowt;
ajint seqlength;
ajint alignlength;
ajint gaps;
ajint gapcount;
ajint idcount;
ajint simcount;
ajint difcount;
float change;
AjPFile outfile;
const AjPStr usa;
const AjPStr name;
AjPStr altusa; /* default name when the real name
is not known */
AjPStr altname;
AjPStr xxx = NULL;
embInit("infoalign", argc, argv);
seqset = ajAcdGetSeqset("sequence");
refseq = ajAcdGetString("refseq");
matrix = ajAcdGetMatrix("matrix");
ajSeqsetFill(seqset);
outfile = ajAcdGetOutfile("outfile");
html = ajAcdGetBoolean("html");
doheader = ajAcdGetBoolean("heading");
dousa = ajAcdGetBoolean("usa");
doname = ajAcdGetBoolean("name");
doseqlength = ajAcdGetBoolean("seqlength");
doalignlength = ajAcdGetBoolean("alignlength");
dogaps = ajAcdGetBoolean("gaps");
dogapcount = ajAcdGetBoolean("gapcount");
doidcount = ajAcdGetBoolean("idcount");
dosimcount = ajAcdGetBoolean("simcount");
dodifcount = ajAcdGetBoolean("diffcount");
dochange = ajAcdGetBoolean("change");
dodesc = ajAcdGetBoolean("description");
dowt = ajAcdGetBoolean("weight");
/* consensus parameters */
fplural = ajAcdGetFloat("plurality");
identity = ajAcdGetFloat("identity");
cons = ajStrNew();
consensus = ajSeqNew();
altusa = ajStrNewC("-");
altname = ajStrNewC("-");
/* get conversion table and scoring matrix */
cvt = ajMatrixGetCvt(matrix);
sub = ajMatrixGetMatrix(matrix);
/* get the number of the reference sequence */
nrefseq = infoalign_Getrefseq(refseq, seqset);
/* change the % plurality to the fraction of absolute total weight */
fplural = ajSeqsetGetTotweight(seqset) * fplural / 100;
/*
** change the % identity to the number of identical sequences at a
** position required for consensus
*/
ident = ajSeqsetGetSize(seqset) * (ajint)identity / 100;
/* get the consensus sequence */
embConsCalc(seqset, matrix, ajSeqsetGetSize(seqset), ajSeqsetGetLen(seqset),
fplural, 0.0, ident, ajFalse, &cons);
ajSeqAssignSeqS(consensus, cons);
ajSeqAssignNameS(consensus,(xxx=ajStrNewC("Consensus")));
/* get the reference sequence */
if(nrefseq == -1)
ref = consensus;
else
ref = ajSeqsetGetseqSeq(seqset, nrefseq);
/* start the HTML table */
if(html)
ajFmtPrintF(outfile,"<table border cellpadding=4 bgcolor="
"\"#FFFFF0\">\n");
/* print the header information */
if(doheader)
{
/* start the HTML table title line and output the Name header */
if(html)
ajFmtPrintF(outfile, "<tr>");
else
ajFmtPrintF(outfile, "%s", "# ");
if(dousa)
{
if(html)
ajFmtPrintF(outfile, "<th>USA</th>");
else
ajFmtPrintF(outfile, "%-16s", "USA");
}
if(doname)
{
if(html)
ajFmtPrintF(outfile, "<th>Name</th>");
else
ajFmtPrintF(outfile, "%-12s", "Name");
}
if(doseqlength)
{
if(html)
ajFmtPrintF(outfile, "<th>Sequence Length</th>");
else
ajFmtPrintF(outfile, "SeqLen\t");
}
if(doalignlength)
{
if(html)
ajFmtPrintF(outfile, "<th>Aligned Length</th>");
else
ajFmtPrintF(outfile, "AlignLen\t");
}
if(dogaps)
{
if(html)
ajFmtPrintF(outfile, "<th>Gaps</th>");
else
ajFmtPrintF(outfile, "Gaps\t");
}
if(dogapcount)
{
if(html)
ajFmtPrintF(outfile, "<th>Gap Length</th>");
else
ajFmtPrintF(outfile, "GapLen\t");
}
if(doidcount)
{
if(html)
ajFmtPrintF(outfile, "<th>Identity</th>");
else
ajFmtPrintF(outfile, "Ident\t");
}
if(dosimcount)
{
if(html)
ajFmtPrintF(outfile, "<th>Similarity</th>");
else
ajFmtPrintF(outfile, "Similar\t");
}
if(dodifcount)
{
if(html)
ajFmtPrintF(outfile, "<th>Difference</th>");
else
ajFmtPrintF(outfile, "Differ\t");
}
if(dochange)
{
if(html)
ajFmtPrintF(outfile, "<th>%% Change</th>");
else
ajFmtPrintF(outfile, "%% Change\t");
}
if(dowt)
{
if(html)
ajFmtPrintF(outfile, "<th>Weight</th>");
else
ajFmtPrintF(outfile, "Weight\t");
}
if(dodesc)
{
if(html)
ajFmtPrintF(outfile, "<th>Description</th>");
else
ajFmtPrintF(outfile, "Description");
}
/* end the HTML table title line */
if(html)
ajFmtPrintF(outfile, "</tr>\n");
else
ajFmtPrintF(outfile, "\n");
}
for(i=0; i<ajSeqsetGetSize(seqset); i++)
{
seq = ajSeqsetGetseqSeq(seqset, i);
/* get the usa ('-' if unknown) */
usa = ajSeqGetUsaS(seq);
if(ajStrGetLen(usa) == 0)
usa = altusa;
/* get the name ('-' if unknown) */
name = ajSeqGetNameS(seq);
if(ajStrGetLen(name) == 0)
name = altname;
/* get the stats from the comparison to the reference sequence */
infoalign_Compare(ref, seq, sub, cvt, &seqlength, &alignlength,
&gaps, &gapcount, &idcount, &simcount,
&difcount, &change);
/* start table line */
if(html)
ajFmtPrintF(outfile, "<tr>");
if(dousa)
infoalign_OutputStr(outfile, usa, html,
(dodesc || dowt || dochange ||
dodifcount || dosimcount ||
doidcount || dogapcount || dogaps ||
doseqlength || doalignlength || doname), 18);
if(doname)
infoalign_OutputStr(outfile, name, html,
(dodesc || dowt || dochange ||
dodifcount || dosimcount ||
doidcount || dogapcount || dogaps ||
doseqlength || doalignlength), 14);
if(doseqlength)
infoalign_OutputInt(outfile, seqlength, html,
(dodesc || dowt || dochange ||
dodifcount || dosimcount ||
doidcount || dogapcount ||
dogaps || doalignlength));
if(doalignlength)
infoalign_OutputInt(outfile, alignlength, html,
(dodesc || dowt || dochange ||
dodifcount || dosimcount ||
doidcount || dogapcount || dogaps));
if(dogaps)
infoalign_OutputInt(outfile, gaps, html,
(dodesc || dowt || dochange ||
dodifcount || dosimcount ||
doidcount || dogapcount));
if(dogapcount)
infoalign_OutputInt(outfile, gapcount, html,
(dodesc || dowt || dochange ||
dodifcount || dosimcount ||
doidcount));
if(doidcount)
infoalign_OutputInt(outfile, idcount, html,
(dodesc || dowt || dochange ||
dodifcount || dosimcount));
if(dosimcount)
infoalign_OutputInt(outfile, simcount, html,
(dodesc || dowt || dochange ||
dodifcount));
if(dodifcount)
infoalign_OutputInt(outfile, difcount, html,
(dodesc || dowt || dochange));
if(dochange)
infoalign_OutputFloat(outfile, change, html, (dodesc || dowt) );
if(dowt)
infoalign_OutputFloat(outfile, ajSeqsetGetseqWeight(seqset,i), html,
dodesc);
if(dodesc)
infoalign_OutputStr(outfile, ajSeqGetDescS(seq), html, ajFalse,
NOLIMIT);
/* end table line */
if(html)
ajFmtPrintF(outfile, "</tr>\n");
else
ajFmtPrintF(outfile, "\n");
}
/* end the HTML table */
if(html)
ajFmtPrintF(outfile, "</table>\n");
ajFileClose(&outfile);
/* tidy up */
ajStrDel(&altusa);
ajStrDel(&altname);
ajStrDel(&xxx);
ajSeqDel(&consensus);
ajSeqsetDel(&seqset);
ajStrDel(&refseq);
ajMatrixDel(&matrix);
ajStrDel(&cons);
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 = NULL;
AjPStr cl = NULL;
AjPSeqout seqout = NULL;
float thresh = 0.;
AjBool netphos = ajFalse;
AjPStr format = NULL;
AjBool plot = ajFalse;
AjPStr fn = NULL;
AjPStr stmp = NULL;
AjPStr outfname = NULL;
embInitPV("eyinoyang", argc, argv, "CBSTOOLS",VERSION);
seqset = ajAcdGetSeqset("sequence");
outfname= ajAcdGetOutfileName("outfile");
plot = ajAcdGetBoolean("plot");
netphos = ajAcdGetBoolean("netphos");
thresh = ajAcdGetFloat("threshold");
format = ajAcdGetListSingle("format");
cl = ajStrNewS(ajAcdGetpathC("yinOyang"));
fn = ajStrNew();
stmp = ajStrNew();
ajFilenameSetTempname(&fn);
seqout = ajSeqoutNew();
if(!ajSeqoutOpenFilename(seqout, fn))
ajFatal("Cannot open temporary file %S",fn);
ajSeqoutSetFormatC(seqout, "fasta");
ajSeqoutWriteSet(seqout,seqset);
ajSeqoutClose(seqout);
if(ajStrMatchC(format,"short"))
ajStrAppendC(&cl," -f s");
else if(ajStrMatchC(format,"long"))
ajStrAppendC(&cl," -f l");
if(plot)
ajStrAppendC(&cl," -g");
if(netphos)
ajStrAppendC(&cl," -y");
if(netphos)
{
ajFmtPrintS(&stmp," -t %f",thresh);
ajStrAppendS(&cl,stmp);
}
ajFmtPrintS(&stmp," %S",fn);
ajStrAppendS(&cl,stmp);
#if 0
ajFmtPrint("%`S\n",cl);
#endif
#if 1
ajSysExecOutnameAppendS(cl, outfname);
#endif
ajSysFileUnlinkS(fn);
ajStrDel(&cl);
ajStrDel(&fn);
ajStrDel(&stmp);
ajStrDel(&format);
ajSeqoutDel(&seqout);
ajSeqsetDel(&seqset);
ajStrDel(&outfname);
embExit();
return 0;
}
int main(int argc, char **argv)
{
AjPSeqset seqset = NULL;
AjPStr cl = NULL;
AjPSeqout seqout = NULL;
AjBool full = ajFalse;
AjPStr fn = NULL;
AjPStr stmp = NULL;
AjPStr outfname = NULL;
embInitPV("echlorop", argc, argv, "CBSTOOLS", VERSION);
seqset = ajAcdGetSeqset("sequence");
outfname= ajAcdGetOutfileName("outfile");
full = ajAcdGetBoolean("full");
cl = ajStrNewS(ajAcdGetpathC("chlorop"));
fn = ajStrNew();
stmp = ajStrNew();
ajFilenameSetTempname(&fn);
seqout = ajSeqoutNew();
if(!ajSeqoutOpenFilename(seqout, fn))
ajFatal("Cannot open temporary file %S",fn);
ajSeqoutSetFormatC(seqout, "fasta");
ajSeqoutWriteSet(seqout,seqset);
ajSeqoutClose(seqout);
if(full)
ajStrAppendC(&cl," -F");
ajFmtPrintS(&stmp," %S",fn);
ajStrAppendS(&cl,stmp);
#if 0
ajFmtPrint("%S\n",cl);
#endif
#if 1
ajSysExecOutnameAppendS(cl, outfname);
#endif
ajSysFileUnlinkS(fn);
ajStrDel(&cl);
ajStrDel(&fn);
ajStrDel(&stmp);
ajSeqoutDel(&seqout);
ajSeqsetDel(&seqset);
ajStrDel(&outfname);
embExit();
return 0;
}
int main(int argc, char **argv)
{
AjPSeqset seq1;
AjPSeqset seq2;
AjPFile list;
ajint n1;
ajint n2;
ajint *lengths1;
ajint *lengths2;
ajuint *order1;
ajuint *order2;
ajint *hits1;
ajint *hits2;
ajint curr1;
ajint curr2;
ajint tmp1;
ajint tmp2 = 0;
ajint i;
AjPStr operator;
ajint OperatorCode=0;
embInit("listor", argc, argv);
seq1 = ajAcdGetSeqset("firstsequences");
seq2 = ajAcdGetSeqset("secondsequences");
list = ajAcdGetOutfile("outfile");
operator = ajAcdGetListSingle("operator");
/* get the operator value */
switch(ajStrGetCharFirst(operator))
{
case 'O':
OperatorCode = L_OR;
break;
case 'A':
OperatorCode = L_AND;
break;
case 'X':
OperatorCode = L_XOR;
break;
case 'N':
OperatorCode = L_NOT;
break;
default:
ajFatal("Invalid operator type: %S", operator);
embExitBad();
}
/* get the order of seqset 1 by length */
n1 = ajSeqsetGetSize(seq1);
/* lengths of seq1 entries */
lengths1 = AJCALLOC0(n1, sizeof(ajint));
/* seq1 entries which match seq2 */
hits1 = AJCALLOC0(n1, sizeof(ajint));
/* seq1 entries in length order */
order1 = AJCALLOC0(n1, sizeof(ajint));
for(i=0; i<n1; i++)
{
lengths1[i] = ajSeqGetLen(ajSeqsetGetseqSeq(seq1, i));
order1[i] = i;
hits1[i] = -1;
}
ajSortIntIncI(lengths1, order1, n1);
/* get the order of seqset 2 by length */
n2 = ajSeqsetGetSize(seq2);
lengths2 = AJCALLOC0(n2, sizeof(ajint));
hits2 = AJCALLOC0(n2, sizeof(ajint));
order2 = AJCALLOC0(n2, sizeof(ajint));
for(i=0; i<n2; i++)
{
lengths2[i] = ajSeqGetLen(ajSeqsetGetseqSeq(seq2, i));
order2[i] = i;
hits2[i] = -1;
}
ajSortIntIncI(lengths2, order2, n2);
/*
** go down the two sequence sets, by size order, looking for identical
**lengths
*/
curr1 = 0;
curr2 = 0;
while(curr1 < n1 && curr2 < n2)
{
if(lengths1[order1[curr1]] < lengths2[order2[curr2]])
/* seq1 is shorter - increment curr1 index */
curr1++;
else if(lengths1[order1[curr1]] > lengths2[order2[curr2]])
/* seq2 is shorter - increment curr2 index */
curr2++;
else
{
/* identical lengths - check all seq1/seq2 entries of this len */
for(tmp1=curr1; tmp1<n1
&& lengths1[order1[tmp1]] == lengths2[order2[curr2]]; tmp1++)
for(tmp2=curr2; tmp2<n2 && lengths2[order2[tmp2]] ==
lengths2[order2[curr2]]; tmp2++)
/* check to see if the sequences are identical */
if(!ajStrCmpCaseS(ajSeqGetSeqS(ajSeqsetGetseqSeq(seq1,
order1[tmp1])),
ajSeqGetSeqS(ajSeqsetGetseqSeq(seq2,
order2[tmp2]))))
{
hits1[order1[tmp1]] = order2[tmp2];
hits2[order2[tmp2]] = order1[tmp1];
}
curr1 = tmp1;
curr2 = tmp2;
}
}
/* output the required entries to the list file */
listor_Output(list, OperatorCode, seq1, seq2, hits1, hits2, n1, n2);
AJFREE(lengths1);
AJFREE(lengths2);
AJFREE(order1);
AJFREE(order2);
AJFREE(hits1);
AJFREE(hits2);
ajFileClose(&list);
ajStrDel(&operator);
ajSeqsetDel(&seq1);
ajSeqsetDel(&seq2);
embExit();
return 0;
}
int main(int argc, char **argv)
{
AjPSeqall seqall = NULL;
AjPFile dend_outfile = NULL;
AjPStr tmp_dendfilename = NULL;
AjPFile tmp_dendfile = NULL;
AjPStr tmp_aln_outfile = NULL;
AjPSeqset seqset = NULL;
AjPSeqout seqout = NULL;
AjPSeqin seqin = NULL;
AjBool only_dend;
AjBool are_prot = ajFalse;
AjBool do_slow;
AjBool use_dend;
AjPFile dend_file = NULL;
AjPStr dend_filename = NULL;
ajint ktup;
ajint gapw;
ajint topdiags;
ajint window;
AjBool nopercent;
AjPStr pw_matrix = NULL;
AjPStr pw_dna_matrix = NULL;
AjPFile pairwise_matrix = NULL;
float pw_gapc;
float pw_gapv;
AjPStr pwmstr = NULL;
char pwmc = '\0';
AjPStr pwdstr = NULL;
char pwdc = '\0';
AjPStr m1str = NULL;
AjPStr m2str = NULL;
char m1c = '\0';
char m2c = '\0';
AjPStr matrix = NULL;
AjPStr dna_matrix = NULL;
AjPFile ma_matrix = NULL;
float gapc;
float gapv;
AjBool endgaps;
AjBool norgap;
AjBool nohgap;
ajint gap_dist;
ajint maxdiv;
AjPStr hgapres = NULL;
AjPSeqout fil_file = NULL;
AjPSeq seq = NULL;
AjPStr cmd = NULL;
AjPStr tmp = NULL;
AjPStr tmpFilename;
AjPStr line = NULL;
ajint nb = 0;
/* get all the parameters */
embInit("emma", argc, argv);
pwmstr = ajStrNew();
pwdstr = ajStrNew();
m1str = ajStrNew();
m2str = ajStrNew();
seqall = ajAcdGetSeqall("sequence");
seqout = ajAcdGetSeqoutset("outseq");
dend_outfile = ajAcdGetOutfile("dendoutfile");
only_dend = ajAcdGetToggle("onlydend");
use_dend = ajAcdGetToggle("dendreuse");
dend_file = ajAcdGetInfile("dendfile");
if (dend_file)
ajStrAssignS(&dend_filename, ajFileGetPrintnameS(dend_file));
ajFileClose(&dend_file);
do_slow = ajAcdGetToggle("slowalign");
ktup = ajAcdGetInt("ktup");
gapw = ajAcdGetInt("gapw");
topdiags = ajAcdGetInt("topdiags");
window = ajAcdGetInt("window");
nopercent = ajAcdGetBoolean("nopercent");
pw_matrix = ajAcdGetListSingle("pwmatrix");
pwmc = ajStrGetCharFirst(pw_matrix);
if(pwmc=='b')
ajStrAssignC(&pwmstr,"blosum");
else if(pwmc=='p')
ajStrAssignC(&pwmstr,"pam");
else if(pwmc=='g')
ajStrAssignC(&pwmstr,"gonnet");
else if(pwmc=='i')
ajStrAssignC(&pwmstr,"id");
else if(pwmc=='o')
ajStrAssignC(&pwmstr,"own");
pw_dna_matrix = ajAcdGetListSingle("pwdnamatrix");
pwdc = ajStrGetCharFirst(pw_dna_matrix);
if(pwdc=='i')
ajStrAssignC(&pwdstr,"iub");
else if(pwdc=='c')
ajStrAssignC(&pwdstr,"clustalw");
else if(pwdc=='o')
ajStrAssignC(&pwdstr,"own");
pairwise_matrix = ajAcdGetInfile("pairwisedatafile");
pw_gapc = ajAcdGetFloat( "pwgapopen");
pw_gapv = ajAcdGetFloat( "pwgapextend");
matrix = ajAcdGetListSingle( "matrix");
m1c = ajStrGetCharFirst(matrix);
if(m1c=='b')
ajStrAssignC(&m1str,"blosum");
else if(m1c=='p')
ajStrAssignC(&m1str,"pam");
else if(m1c=='g')
ajStrAssignC(&m1str,"gonnet");
else if(m1c=='i')
ajStrAssignC(&m1str,"id");
else if(m1c=='o')
ajStrAssignC(&m1str,"own");
dna_matrix = ajAcdGetListSingle( "dnamatrix");
m2c = ajStrGetCharFirst(dna_matrix);
if(m2c=='i')
ajStrAssignC(&m2str,"iub");
else if(m2c=='c')
ajStrAssignC(&m2str,"clustalw");
else if(m2c=='o')
ajStrAssignC(&m2str,"own");
ma_matrix = ajAcdGetInfile("mamatrixfile");
gapc = ajAcdGetFloat("gapopen");
gapv = ajAcdGetFloat("gapextend");
endgaps = ajAcdGetBoolean("endgaps");
norgap = ajAcdGetBoolean("norgap");
nohgap = ajAcdGetBoolean("nohgap");
gap_dist = ajAcdGetInt("gapdist");
hgapres = ajAcdGetString("hgapres");
maxdiv = ajAcdGetInt("maxdiv");
tmp = ajStrNewC("fasta");
/*
** Start by writing sequences into a unique temporary file
** get file pointer to unique file
*/
fil_file = ajSeqoutNew();
tmpFilename = emma_getUniqueFileName();
if(!ajSeqoutOpenFilename( fil_file, tmpFilename))
embExitBad();
/* Set output format to fasta */
ajSeqoutSetFormatS( fil_file, tmp);
while(ajSeqallNext(seqall, &seq))
{
/*
** Check sequences are all of the same type
** Still to be done
** Write out sequences
*/
if (!nb)
are_prot = ajSeqIsProt(seq);
ajSeqoutWriteSeq(fil_file, seq);
++nb;
}
ajSeqoutClose(fil_file);
if(nb < 2)
ajFatal("Multiple alignments need at least two sequences");
/* Generate clustalw command line */
cmd = ajStrNewS(ajAcdGetpathC("clustalw"));
/* add tmp file containing sequences */
ajStrAppendC(&cmd, " -infile=");
ajStrAppendS(&cmd, tmpFilename);
/* add out file name */
tmp_aln_outfile = emma_getUniqueFileName();
ajStrAppendC(&cmd, " -outfile=");
ajStrAppendS(&cmd, tmp_aln_outfile);
/* calculating just the nj tree or doing full alignment */
if(only_dend)
ajStrAppendC(&cmd, " -tree");
else
if(!use_dend)
ajStrAppendC(&cmd, " -align");
/* Set sequence type from information from acd file */
if(are_prot)
ajStrAppendC(&cmd, " -type=protein");
else
ajStrAppendC(&cmd, " -type=dna");
/*
** set output to MSF format - will read in this file later and output
** user requested format
*/
ajStrAppendC(&cmd, " -output=");
ajStrAppendC(&cmd, "gcg");
/* If going to do pairwise alignment */
if(!use_dend)
{
/* add fast pairwise alignments*/
if(!do_slow)
{
ajStrAppendC(&cmd, " -quicktree");
ajStrAppendC(&cmd, " -ktuple=");
ajStrFromInt(&tmp, ktup);
ajStrAppendS(&cmd, tmp);
ajStrAppendC(&cmd, " -window=");
ajStrFromInt(&tmp, window);
ajStrAppendS(&cmd, tmp);
if(nopercent)
ajStrAppendC(&cmd, " -score=percent");
else
ajStrAppendC(&cmd, " -score=absolute");
ajStrAppendC(&cmd, " -topdiags=");
ajStrFromInt(&tmp, topdiags);
ajStrAppendS(&cmd, tmp);
ajStrAppendC(&cmd, " -pairgap=");
ajStrFromInt(&tmp, gapw);
ajStrAppendS(&cmd, tmp);
}
else
{
if(pairwise_matrix)
{
if(are_prot)
ajStrAppendC(&cmd, " -pwmatrix=");
else
ajStrAppendC(&cmd, " -pwdnamatrix=");
ajStrAppendS(&cmd, ajFileGetPrintnameS(pairwise_matrix));
}
else
{
if(are_prot)
{
ajStrAppendC(&cmd, " -pwmatrix=");
ajStrAppendS(&cmd, pwmstr);
}
else
{
ajStrAppendC(&cmd, " -pwdnamatrix=");
ajStrAppendS(&cmd, pwdstr);
}
}
ajStrAppendC(&cmd, " -pwgapopen=");
ajStrFromFloat(&tmp, pw_gapc, 3);
ajStrAppendS(&cmd, tmp);
ajStrAppendC(&cmd, " -pwgapext=");
ajStrFromFloat(&tmp, pw_gapv, 3);
ajStrAppendS(&cmd, tmp);
}
}
/* Multiple alignments */
/* using existing tree or generating new tree? */
if(use_dend)
{
ajStrAppendC(&cmd, " -usetree=");
ajStrAppendS(&cmd, dend_filename);
}
else
{
/* use tmp file to hold dend file, will read back in later */
tmp_dendfilename = emma_getUniqueFileName();
ajStrAppendC(&cmd, " -newtree=");
ajStrAppendS(&cmd, tmp_dendfilename);
}
if(ma_matrix)
{
if(are_prot)
ajStrAppendC(&cmd, " -matrix=");
else
ajStrAppendC(&cmd, " -pwmatrix=");
ajStrAppendS(&cmd, ajFileGetPrintnameS(ma_matrix));
}
else
{
if(are_prot)
{
ajStrAppendC(&cmd, " -matrix=");
ajStrAppendS(&cmd, m1str);
}
else
{
ajStrAppendC(&cmd, " -dnamatrix=");
ajStrAppendS(&cmd, m2str);
}
}
ajStrAppendC(&cmd, " -gapopen=");
ajStrFromFloat(&tmp, gapc, 3);
ajStrAppendS(&cmd, tmp);
ajStrAppendC(&cmd, " -gapext=");
ajStrFromFloat(&tmp, gapv, 3);
ajStrAppendS(&cmd, tmp);
ajStrAppendC(&cmd, " -gapdist=");
ajStrFromInt(&tmp, gap_dist);
ajStrAppendS(&cmd, tmp);
ajStrAppendC(&cmd, " -hgapresidues=");
ajStrAppendS(&cmd, hgapres);
if(!endgaps)
ajStrAppendC(&cmd, " -endgaps");
if(norgap)
ajStrAppendC(&cmd, " -nopgap");
if(nohgap)
ajStrAppendC(&cmd, " -nohgap");
ajStrAppendC(&cmd, " -maxdiv=");
ajStrFromInt(&tmp, maxdiv);
ajStrAppendS(&cmd, tmp);
/* run clustalw */
/* ajFmtError("..%s..\n\n", ajStrGetPtr( cmd)); */
ajDebug("Executing '%S'\n", cmd);
ajSysExecS(cmd);
/* produce alignment file only if one was produced */
if(!only_dend)
{
/* read in tmp alignment output file to output through EMBOSS output */
seqin = ajSeqinNew();
/*
** add the Usa format to the start of the filename to tell EMBOSS
** format of file
*/
ajStrInsertC(&tmp_aln_outfile, 0, "msf::");
ajSeqinUsa(&seqin, tmp_aln_outfile);
seqset = ajSeqsetNew();
if(ajSeqsetRead(seqset, seqin))
{
ajSeqoutWriteSet(seqout, seqset);
ajSeqoutClose(seqout);
ajSeqinDel(&seqin);
/* remove the Usa from the start of the string */
ajStrCutStart(&tmp_aln_outfile, 5);
}
else
ajFmtError("Problem writing out EMBOSS alignment file\n");
}
/* read in new tmp dend file (if produced) to output through EMBOSS */
if(tmp_dendfilename!=NULL)
{
tmp_dendfile = ajFileNewInNameS( tmp_dendfilename);
if(tmp_dendfile!=NULL){
while(ajReadlineTrim(tmp_dendfile, &line))
ajFmtPrintF(dend_outfile, "%s\n", ajStrGetPtr( line));
ajFileClose(&tmp_dendfile);
ajSysFileUnlinkS(tmp_dendfilename);
}
}
ajSysFileUnlinkS(tmpFilename);
if(!only_dend)
ajSysFileUnlinkS(tmp_aln_outfile);
ajStrDel(&pw_matrix);
ajStrDel(&matrix);
ajStrDel(&pw_dna_matrix);
ajStrDel(&dna_matrix);
ajStrDel(&tmp_dendfilename);
ajStrDel(&dend_filename);
ajStrDel(&tmp_aln_outfile);
ajStrDel(&pwmstr);
ajStrDel(&pwdstr);
ajStrDel(&m1str);
ajStrDel(&m2str);
ajStrDel(&hgapres);
ajStrDel(&cmd);
ajStrDel(&tmp);
ajStrDel(&tmpFilename);
ajStrDel(&line);
ajFileClose(&dend_outfile);
ajFileClose(&tmp_dendfile);
ajFileClose(&dend_file);
ajFileClose(&pairwise_matrix);
ajFileClose(&ma_matrix);
ajSeqallDel(&seqall);
ajSeqsetDel(&seqset);
ajSeqDel(&seq);
ajSeqoutDel(&seqout);
ajSeqoutDel(&fil_file);
ajSeqinDel(&seqin);
embExit();
return 0;
}
int main(int argc, char *argv[])
{
char *string;
char *structure=NULL;
char *cstruc=NULL;
char *ns_bases=NULL;
char *c;
int n_seq;
int i;
int length;
int sym;
int endgaps = 0;
int mis = 0;
double min_en;
double real_en;
double sfact = 1.07;
int pf = 0;
int istty;
char *AS[MAX_NUM_NAMES]; /* aligned sequences */
char *names[MAX_NUM_NAMES]; /* sequence names */
AjPSeqset seq = NULL;
AjPFile confile = NULL;
AjPFile alifile = NULL;
AjPFile paramfile = NULL;
AjPFile outf = NULL;
AjPFile essfile = NULL;
AjPFile dotfile = NULL;
AjPStr constring = NULL;
float eT = 0.;
AjBool eGU;
AjBool eclose;
AjBool lonely;
AjPStr ensbases = NULL;
AjBool etloop;
AjPStr eenergy = NULL;
char ewt = '\0';
float escale = 0.;
AjPStr edangles = NULL;
char edangle = '\0';
ajint len;
AjPSeq tseq = NULL;
AjPStr tname = NULL;
int circ = 0;
int doAlnPS = 0;
int doColor = 0;
embInitPV("vrnaalifoldpf",argc,argv,"VIENNA",VERSION);
constring = ajStrNew();
seq = ajAcdGetSeqset("sequence");
confile = ajAcdGetInfile("constraintfile");
paramfile = ajAcdGetInfile("paramfile");
eT = ajAcdGetFloat("temperature");
eGU = ajAcdGetBoolean("gu");
eclose = ajAcdGetBoolean("closegu");
lonely = ajAcdGetBoolean("lp");
ensbases = ajAcdGetString("nsbases");
etloop = ajAcdGetBoolean("tetraloop");
eenergy = ajAcdGetListSingle("energy");
escale = ajAcdGetFloat("scale");
edangles = ajAcdGetListSingle("dangles");
mis = !!ajAcdGetBoolean("most");
endgaps = !!ajAcdGetBoolean("endgaps");
nc_fact = (double) ajAcdGetFloat("nspenalty");
cv_fact = (double) ajAcdGetFloat("covariance");
outf = ajAcdGetOutfile("outfile");
essfile = ajAcdGetOutfile("ssoutfile");
alifile = ajAcdGetOutfile("alignoutfile");
circ = !!ajAcdGetBoolean("circular");
doColor = !!ajAcdGetBoolean("colour");
dotfile = ajAcdGetOutfile("dotoutfile");
do_backtrack = 1;
pf = 1;
string = NULL;
istty = 0;
dangles = 2;
temperature = (double) eT;
noGU = (eGU) ? 0 : 1;
no_closingGU = (eclose) ? 0 : 1;
noLonelyPairs = (lonely) ? 0 : 1;
ns_bases = (ajStrGetLen(ensbases)) ? MAJSTRGETPTR(ensbases) : NULL;
tetra_loop = !!etloop;
ewt = *ajStrGetPtr(eenergy);
if(ewt == '0')
energy_set = 0;
else if(ewt == '1')
energy_set = 1;
else if(ewt == '2')
energy_set = 2;
sfact = (double) escale;
edangle = *ajStrGetPtr(edangles);
if(edangle == '0')
dangles = 0;
else if(edangle == '1')
dangles = 1;
else if(edangle == '2')
dangles = 2;
else if(edangle == '3')
dangles = 3;
if(paramfile)
read_parameter_file(paramfile);
if (ns_bases != NULL)
{
nonstandards = space(33);
c=ns_bases;
i=sym=0;
if (*c=='-')
{
sym=1;
c++;
}
while (*c!='\0')
{
if (*c!=',')
{
nonstandards[i++]=*c++;
nonstandards[i++]=*c;
if ((sym)&&(*c!=*(c-1)))
{
nonstandards[i++]=*c;
nonstandards[i++]=*(c-1);
}
}
c++;
}
}
if(alifile)
doAlnPS = 1;
if(confile)
vienna_GetConstraints(confile,&constring);
n_seq = ajSeqsetGetSize(seq);
if(n_seq > MAX_NUM_NAMES - 1)
ajFatal("[e]RNAalifold is restricted to %d sequences\n",
MAX_NUM_NAMES - 1);
if (n_seq==0)
ajFatal("No sequences found");
for(i=0;i<n_seq;++i)
{
tseq = (AjPSeq) ajSeqsetGetseqSeq(seq,i);
ajSeqGapStandard(tseq, '-');
tname = (AjPStr) ajSeqsetGetseqNameS(seq,i);
len = ajSeqGetLen(tseq);
AS[i] = (char *) space(len+1);
names[i] = (char *) space(ajStrGetLen(tname)+1);
strcpy(AS[i],ajSeqGetSeqC(tseq));
strcpy(names[i],ajStrGetPtr(tname));
}
AS[n_seq] = NULL;
names[n_seq] = NULL;
if (endgaps)
for (i=0; i<n_seq; i++)
mark_endgaps(AS[i], '~');
length = (int) strlen(AS[0]);
structure = (char *) space((unsigned) length+1);
if(confile)
{
fold_constrained = 1;
strcpy(structure,ajStrGetPtr(constring));
}
if (circ && noLonelyPairs)
ajWarn(
"warning, depending on the origin of the circular sequence, "
"some structures may be missed when using -noLP\n"
"Try rotating your sequence a few times\n");
if (circ)
min_en = circalifold((const char **)AS, structure);
else
min_en = alifold(AS, structure);
{
int i;
double s=0;
extern int eos_debug;
eos_debug=-1; /* shut off warnings about nonstandard pairs */
for (i=0; AS[i]!=NULL; i++)
if (circ)
s += energy_of_circ_struct(AS[i], structure);
else
s += energy_of_struct(AS[i], structure);
real_en = s/i;
}
string = (mis) ?
consens_mis((const char **) AS) : consensus((const char **) AS);
ajFmtPrintF(outf,"%s\n%s", string, structure);
ajFmtPrintF(outf," (%6.2f = %6.2f + %6.2f) \n", min_en, real_en,
min_en-real_en );
if (length<=2500) {
char **A;
A = annote(structure, (const char**) AS);
if (doColor)
(void) PS_rna_plot_a(string, structure, essfile, A[0], A[1]);
else
(void) PS_rna_plot_a(string, structure, essfile, NULL, A[1]);
free(A[0]); free(A[1]);free(A);
} else
ajWarn("INFO: structure too long, not doing xy_plot\n");
if (doAlnPS)
PS_color_aln(structure, alifile, AS, names);
{ /* free mfe arrays but preserve base_pair for PS_dot_plot */
struct bond *bp;
bp = base_pair; base_pair = space(16);
free_alifold_arrays(); /* free's base_pair */
free_alipf_arrays();
base_pair = bp;
}
if (pf) {
double energy, kT;
pair_info *pi;
char * mfe_struc;
mfe_struc = strdup(structure);
kT = (temperature+273.15)*1.98717/1000.; /* in Kcal */
pf_scale = exp(-(sfact*min_en)/kT/length);
if (length>2000)
ajWarn("scaling factor %f\n", pf_scale);
/* init_alipf_fold(length); */
if (confile)
strncpy(structure, ajStrGetPtr(constring), length+1);
energy = (circ) ? alipf_circ_fold(AS, structure, &pi) : alipf_fold(AS, structure, &pi);
if (do_backtrack) {
ajFmtPrintF(outf,"%s", structure);
ajFmtPrintF(outf," [%6.2f]\n", energy);
}
if ((istty)||(!do_backtrack))
ajFmtPrintF(outf," free energy of ensemble = %6.2f kcal/mol\n", energy);
ajFmtPrintF(outf," frequency of mfe structure in ensemble %g\n",
exp((energy-min_en)/kT));
if (do_backtrack) {
FILE *aliout;
cpair *cp;
short *ptable; int k;
ptable = make_pair_table(mfe_struc);
ajFmtPrintF(outf,"\n# Alignment section\n\n");
aliout = ajFileGetFileptr(outf);
fprintf(aliout, "%d sequences; length of alignment %d\n",
n_seq, length);
fprintf(aliout, "alifold output\n");
for (k=0; pi[k].i>0; k++) {
pi[k].comp = (ptable[pi[k].i] == pi[k].j) ? 1:0;
print_pi(pi[k], aliout);
}
fprintf(aliout, "%s\n", structure);
free(ptable);
cp = make_color_pinfo(pi);
(void) PS_color_dot_plot(string, cp, dotfile);
free(cp);
free(mfe_struc);
free(pi);
}
}
if (cstruc!=NULL) free(cstruc);
free(base_pair);
(void) fflush(stdout);
free(string);
free(structure);
for (i=0; AS[i]; i++) {
free(AS[i]); free(names[i]);
}
ajSeqsetDel(&seq);
ajStrDel(&constring);
ajStrDel(&eenergy);
ajStrDel(&edangles);
ajStrDel(&ensbases);
ajFileClose(&confile);
ajFileClose(¶mfile);
ajFileClose(&outf);
ajFileClose(&essfile);
ajFileClose(&alifile);
ajFileClose(&dotfile);
embExit();
return 0;
}
int main(int argc, char **argv)
{
AjPSeqall queryseqs;
AjPSeqset targetseqs;
AjPSeq queryseq;
const AjPSeq targetseq;
AjPStr queryaln = 0;
AjPStr targetaln = 0;
AjPFile errorf;
AjBool show = ajFalse;
const char *queryseqc;
const char *targetseqc;
AjPMatrixf matrix;
AjPSeqCvt cvt = 0;
float **sub;
ajint *compass = NULL;
float *path = NULL;
float gapopen;
float gapextend;
float score;
float minscore;
ajuint j, k;
ajint querystart = 0;
ajint targetstart = 0;
ajint queryend = 0;
ajint targetend = 0;
ajint width = 0;
AjPTable kmers = 0;
ajint wordlen = 6;
ajint oldmax = 0;
ajint newmax = 0;
ajuint ntargetseqs;
ajuint nkmers;
AjPAlign align = NULL;
EmbPWordMatch maxmatch; /* match with maximum score */
/* Cursors for the current sequence being scanned,
** i.e., until which location it was scanned.
** Separate cursor/location entries for each sequence in the seqset.
*/
ajuint* lastlocation;
EmbPWordRK* wordsw = NULL;
AjPList* matchlist = NULL;
embInit("supermatcher", argc, argv);
matrix = ajAcdGetMatrixf("datafile");
queryseqs = ajAcdGetSeqall("asequence");
targetseqs= ajAcdGetSeqset("bsequence");
gapopen = ajAcdGetFloat("gapopen");
gapextend = ajAcdGetFloat("gapextend");
wordlen = ajAcdGetInt("wordlen");
align = ajAcdGetAlign("outfile");
errorf = ajAcdGetOutfile("errorfile");
width = ajAcdGetInt("width"); /* width for banded Smith-Waterman */
minscore = ajAcdGetFloat("minscore");
gapopen = ajRoundFloat(gapopen, 8);
gapextend = ajRoundFloat(gapextend, 8);
sub = ajMatrixfGetMatrix(matrix);
cvt = ajMatrixfGetCvt(matrix);
embWordLength(wordlen);
/* seqset sequence is the reference sequence for SAM format */
ajAlignSetRefSeqIndx(align, 1);
ajSeqsetTrim(targetseqs);
ntargetseqs = ajSeqsetGetSize(targetseqs);
AJCNEW0(matchlist, ntargetseqs);
/* get tables of words */
for(k=0;k<ntargetseqs;k++)
{
targetseq = ajSeqsetGetseqSeq(targetseqs, k);
embWordGetTable(&kmers, targetseq);
ajDebug("Number of distinct kmers found so far: %d\n",
ajTableGetLength(kmers));
}
AJCNEW0(lastlocation, ntargetseqs);
if(ajTableGetLength(kmers)<1)
ajErr("no kmers found");
nkmers = embWordRabinKarpInit(kmers, &wordsw, wordlen, targetseqs);
while(ajSeqallNext(queryseqs,&queryseq))
{
ajSeqTrim(queryseq);
queryaln = ajStrNewRes(1+ajSeqGetLen(queryseq));
ajDebug("Read '%S'\n", ajSeqGetNameS(queryseq));
for(k=0;k<ntargetseqs;k++)
{
lastlocation[k]=0;
matchlist[k] = ajListstrNew();
}
embWordRabinKarpSearch(ajSeqGetSeqS(queryseq), targetseqs,
(const EmbPWordRK*)wordsw, wordlen, nkmers,
matchlist, lastlocation, ajFalse);
for(k=0;k<ajSeqsetGetSize(targetseqs);k++)
{
targetseq = ajSeqsetGetseqSeq(targetseqs, k);
ajDebug("Processing '%S'\n", ajSeqGetNameS(targetseq));
if(ajListGetLength(matchlist[k])==0)
{
ajFmtPrintF(errorf,
"No wordmatch start points for "
"%s vs %s. No alignment\n",
ajSeqGetNameC(queryseq),ajSeqGetNameC(targetseq));
embWordMatchListDelete(&matchlist[k]);
continue;
}
/* only the maximum match is used as seed
* (if there is more than one location with the maximum match
* only the first one is used)
* TODO: we should add a new option to make above limit optional
*/
maxmatch = embWordMatchFirstMax(matchlist[k]);
supermatcher_findendpoints(maxmatch,targetseq, queryseq,
&targetstart, &querystart,
&targetend, &queryend);
targetaln=ajStrNewRes(1+ajSeqGetLen(targetseq));
queryseqc = ajSeqGetSeqC(queryseq);
targetseqc = ajSeqGetSeqC(targetseq);
ajStrAssignC(&queryaln,"");
ajStrAssignC(&targetaln,"");
ajDebug("++ %S v %S start:%d %d end:%d %d\n",
ajSeqGetNameS(targetseq), ajSeqGetNameS(queryseq),
targetstart, querystart, targetend, queryend);
newmax = (targetend-targetstart+2)*width;
if(newmax > oldmax)
{
AJCRESIZE0(path,oldmax,newmax);
AJCRESIZE0(compass,oldmax,newmax);
oldmax=newmax;
ajDebug("++ memory re/allocation for path/compass arrays"
" to size: %d\n", newmax);
}
else
{
AJCSET0(path,newmax);
AJCSET0(compass,newmax);
}
ajDebug("Calling embAlignPathCalcSWFast "
"%d..%d [%d/%d] %d..%d [%d/%d] width:%d\n",
querystart, queryend, (queryend - querystart + 1),
ajSeqGetLen(queryseq),
targetstart, targetend, (targetend - targetstart + 1),
ajSeqGetLen(targetseq),
width);
score = embAlignPathCalcSWFast(&targetseqc[targetstart],
&queryseqc[querystart],
targetend-targetstart+1,
queryend-querystart+1,
0,width,
gapopen,gapextend,
path,sub,cvt,
compass,show);
if(score>minscore)
{
embAlignWalkSWMatrixFast(path,compass,gapopen,gapextend,
targetseq,queryseq,
&targetaln,&queryaln,
targetend-targetstart+1,
queryend-querystart+1,
0,width,
&targetstart,&querystart);
if(!ajAlignFormatShowsSequences(align))
{
ajAlignDefineCC(align, ajStrGetPtr(targetaln),
ajStrGetPtr(queryaln),
ajSeqGetNameC(targetseq),
ajSeqGetNameC(queryseq));
ajAlignSetScoreR(align, score);
}
else
{
ajDebug(" queryaln:%S \ntargetaln:%S\n",
queryaln,targetaln);
embAlignReportLocal(align,
queryseq, targetseq,
queryaln, targetaln,
querystart, targetstart,
gapopen, gapextend,
score, matrix,
1 + ajSeqGetOffset(queryseq),
1 + ajSeqGetOffset(targetseq)
);
}
ajAlignWrite(align);
ajAlignReset(align);
}
ajStrDel(&targetaln);
embWordMatchListDelete(&matchlist[k]);
}
ajStrDel(&queryaln);
}
for(k=0;k<nkmers;k++)
{
AJFREE(wordsw[k]->seqindxs);
AJFREE(wordsw[k]->nSeqMatches);
for(j=0;j<wordsw[k]->nseqs;j++)
AJFREE(wordsw[k]->locs[j]);
AJFREE(wordsw[k]->nnseqlocs);
AJFREE(wordsw[k]->locs);
AJFREE(wordsw[k]);
}
embWordFreeTable(&kmers);
if(!ajAlignFormatShowsSequences(align))
ajMatrixfDel(&matrix);
AJFREE(path);
AJFREE(compass);
AJFREE(kmers);
AJFREE(wordsw);
AJFREE(matchlist);
AJFREE(lastlocation);
ajAlignClose(align);
ajAlignDel(&align);
ajSeqallDel(&queryseqs);
ajSeqDel(&queryseq);
ajSeqsetDel(&targetseqs);
ajFileClose(&errorf);
embExit();
return 0;
}
int main(int argc, char **argv)
{
AjPSeqset seqset = NULL;
AjPStr cl = NULL;
AjPSeqout seqout = NULL;
AjBool pc = ajFalse;
AjBool sigp = ajFalse;
AjBool plot = ajFalse;
const AjPStr ofn = NULL;
AjPStr fn = NULL;
AjPStr stmp = NULL;
AjPFile outf = NULL;
embInitPV("eprop", argc, argv, "CBSTOOLS", VERSION);
seqset = ajAcdGetSeqset("sequence");
outf = ajAcdGetOutfile("outfile");
plot = ajAcdGetBoolean("plot");
pc = ajAcdGetBoolean("pcprediction");
sigp = ajAcdGetBoolean("signalp");
cl = ajStrNewC("prop ");
fn = ajStrNew();
stmp = ajStrNew();
ajFilenameSetTempname(&fn);
seqout = ajSeqoutNew();
if(!ajSeqoutOpenFilename(seqout, fn))
ajFatal("Cannot open temporary file %S",fn);
ajSeqoutSetFormatC(seqout, "fasta");
ajSeqoutWriteSet(seqout,seqset);
ajSeqoutClose(seqout);
if(plot)
ajStrAppendC(&cl," -g");
if(pc)
ajStrAppendC(&cl," -p");
if(sigp)
ajStrAppendC(&cl," -s");
ajFmtPrintS(&stmp," %S",fn);
ajStrAppendS(&cl,stmp);
ofn = ajFileGetNameS(outf);
ajFmtPrintS(&stmp," > %S",ofn);
ajStrAppendS(&cl,stmp);
ajFileClose(&outf);
#if 0
ajFmtPrint("%S\n",cl);
#endif
#if 1
if(system(ajStrGetPtr(cl)) == -1)
ajFatal("Command %S failed",cl);
#endif
ajSysFileUnlink(fn);
ajStrDel(&cl);
ajStrDel(&fn);
ajStrDel(&stmp);
ajSeqoutDel(&seqout);
ajSeqsetDel(&seqset);
embExit();
return 0;
}
int main(int argc, char **argv)
{
AjPSeqset seqset;
AjPSeqall seqall;
AjPSeq queryseq;
const AjPSeq targetseq;
ajint wordlen;
AjPTable wordsTable = NULL;
AjPList* matchlist = NULL;
AjPFile logfile;
AjPFeattable* seqsetftables = NULL;
AjPFeattable seqallseqftable = NULL;
AjPFeattabOut ftoutforseqsetseq = NULL;
AjPFeattabOut ftoutforseqallseq = NULL;
AjPAlign align = NULL;
AjIList iter = NULL;
ajint targetstart;
ajint querystart;
ajint len;
ajuint i, j;
ajulong nAllMatches = 0;
ajulong sumAllScore = 0;
AjBool dumpAlign = ajTrue;
AjBool dumpFeature = ajTrue;
AjBool checkmode = ajFalse;
EmbPWordRK* wordsw = NULL;
ajuint npatterns = 0;
ajuint seqsetsize;
ajuint nmatches;
ajuint* nmatchesseqset;
ajuint* lastlocation; /* Cursors for Rabin-Karp search. */
/* Shows until what point the query sequence was
* scanned for a pattern sequences in the seqset.
*/
char* paddedheader = NULL;
const char* header;
AjPStr padding;
header = "Pattern %S #pat-sequences #all-matches avg-match-length\n";
padding = ajStrNew();
embInit("wordmatch", argc, argv);
wordlen = ajAcdGetInt("wordsize");
seqset = ajAcdGetSeqset("asequence");
seqall = ajAcdGetSeqall("bsequence");
logfile = ajAcdGetOutfile("logfile");
dumpAlign = ajAcdGetToggle("dumpalign");
dumpFeature = ajAcdGetToggle("dumpfeat");
if(dumpAlign)
{
align = ajAcdGetAlign("outfile");
ajAlignSetExternal(align, ajTrue);
}
seqsetsize = ajSeqsetGetSize(seqset);
ajSeqsetTrim(seqset);
AJCNEW0(matchlist, seqsetsize);
AJCNEW0(seqsetftables, seqsetsize);
AJCNEW0(nmatchesseqset, seqsetsize);
if (dumpFeature)
{
ftoutforseqsetseq = ajAcdGetFeatout("aoutfeat");
ftoutforseqallseq = ajAcdGetFeatout("boutfeat");
}
checkmode = !dumpFeature && !dumpAlign;
embWordLength(wordlen);
ajFmtPrintF(logfile, "Small sequence/file for constructing"
" target patterns: %S\n", ajSeqsetGetUsa(seqset));
ajFmtPrintF(logfile, "Large sequence/file to be scanned"
" for patterns: %S\n", ajSeqallGetUsa(seqall));
ajFmtPrintF(logfile, "Number of sequences in the patterns file: %u\n",
seqsetsize);
ajFmtPrintF(logfile, "Pattern/word length: %u\n", wordlen);
for(i=0;i<seqsetsize;i++)
{
targetseq = ajSeqsetGetseqSeq(seqset, i);
embWordGetTable(&wordsTable, targetseq);
}
AJCNEW0(lastlocation, seqsetsize);
if(ajTableGetLength(wordsTable)>0)
{
npatterns = embWordRabinKarpInit(wordsTable,
&wordsw, wordlen, seqset);
ajFmtPrintF(logfile, "Number of patterns/words found: %u\n", npatterns);
while(ajSeqallNext(seqall,&queryseq))
{
for(i=0;i<seqsetsize;i++)
{
lastlocation[i]=0;
if (!checkmode)
matchlist[i] = ajListstrNew();
}
nmatches = embWordRabinKarpSearch(
ajSeqGetSeqS(queryseq), seqset,
(EmbPWordRK const *)wordsw, wordlen, npatterns,
matchlist, lastlocation, checkmode);
nAllMatches += nmatches;
if (checkmode)
continue;
for(i=0;i<seqsetsize;i++)
{
if(ajListGetLength(matchlist[i])>0)
{
iter = ajListIterNewread(matchlist[i]) ;
while(embWordMatchIter(iter, &targetstart, &querystart, &len,
&targetseq))
{
if(dumpAlign)
{
ajAlignDefineSS(align, targetseq, queryseq);
ajAlignSetScoreI(align, len);
/* ungapped alignment means same length
* for both sequences
*/
ajAlignSetSubRange(align, targetstart, 1, len,
ajSeqIsReversed(targetseq),
ajSeqGetLen(targetseq),
querystart, 1, len,
ajSeqIsReversed(queryseq),
ajSeqGetLen(queryseq));
}
}
if(dumpAlign)
{
ajAlignWrite(align);
ajAlignReset(align);
}
if(ajListGetLength(matchlist[i])>0 && dumpFeature)
{
embWordMatchListConvToFeat(matchlist[i],
&seqsetftables[i],
&seqallseqftable,
targetseq, queryseq);
ajFeattableWrite(ftoutforseqallseq, seqallseqftable);
ajFeattableDel(&seqallseqftable);
}
ajListIterDel(&iter);
}
embWordMatchListDelete(&matchlist[i]);
}
}
/* search completed, now report statistics */
for(i=0;i<npatterns;i++)
{
sumAllScore += wordsw[i]->lenMatches;
for(j=0;j<wordsw[i]->nseqs;j++)
nmatchesseqset[wordsw[i]->seqindxs[j]] +=
wordsw[i]->nSeqMatches[j];
}
ajFmtPrintF(logfile, "Number of sequences in the file scanned "
"for patterns: %u\n", ajSeqallGetCount(seqall));
ajFmtPrintF(logfile, "Number of all matches: %Lu"
" (wordmatch finds exact matches only)\n", nAllMatches);
if(nAllMatches>0)
{
ajFmtPrintF(logfile, "Sum of match lengths: %Lu\n", sumAllScore);
ajFmtPrintF(logfile, "Average match length: %.2f\n",
sumAllScore*1.0/nAllMatches);
ajFmtPrintF(logfile, "\nDistribution of the matches among pattern"
" sequences:\n");
ajFmtPrintF(logfile, "-----------------------------------------"
"-----------\n");
for(i=0;i<ajSeqsetGetSize(seqset);i++)
{
if (nmatchesseqset[i]>0)
ajFmtPrintF(logfile, "%-42s: %8u\n",
ajSeqGetNameC(ajSeqsetGetseqSeq(seqset, i)),
nmatchesseqset[i]);
ajFeattableWrite(ftoutforseqsetseq, seqsetftables[i]);
ajFeattableDel(&seqsetftables[i]);
}
ajFmtPrintF(logfile, "\nPattern statistics:\n");
ajFmtPrintF(logfile, "-------------------\n");
if(wordlen>7)
ajStrAppendCountK(&padding, ' ', wordlen-7);
paddedheader = ajFmtString(header,padding);
ajFmtPrintF(logfile, paddedheader);
for(i=0;i<npatterns;i++)
if (wordsw[i]->nMatches>0)
ajFmtPrintF(logfile, "%-7s: %12u %12u %17.2f\n",
wordsw[i]->word->fword, wordsw[i]->nseqs,
wordsw[i]->nMatches,
wordsw[i]->lenMatches*1.0/wordsw[i]->nMatches);
}
}
for(i=0;i<npatterns;i++)
{
for(j=0;j<wordsw[i]->nseqs;j++)
AJFREE(wordsw[i]->locs[j]);
AJFREE(wordsw[i]->locs);
AJFREE(wordsw[i]->seqindxs);
AJFREE(wordsw[i]->nnseqlocs);
AJFREE(wordsw[i]->nSeqMatches);
AJFREE(wordsw[i]);
}
embWordFreeTable(&wordsTable);
AJFREE(wordsw);
AJFREE(matchlist);
AJFREE(lastlocation);
AJFREE(nmatchesseqset);
AJFREE(seqsetftables);
if(dumpAlign)
{
ajAlignClose(align);
ajAlignDel(&align);
}
if(dumpFeature)
{
ajFeattabOutDel(&ftoutforseqsetseq);
ajFeattabOutDel(&ftoutforseqallseq);
}
ajFileClose(&logfile);
ajSeqallDel(&seqall);
ajSeqsetDel(&seqset);
ajSeqDel(&queryseq);
ajStrDel(&padding);
AJFREE(paddedheader);
embExit();
return 0;
}
int main(int argc, char **argv)
{
const char *hmmfile; /* file to read HMMs from */
HMMFILE *hmmfp; /* opened hmmfile for reading */
const char *seqfile; /* file to read target sequence from */
char **rseq; /* raw, unaligned sequences */
SQINFO *sqinfo; /* info associated with sequences */
char **dsq; /* digitized raw sequences */
int nseq; /* number of sequences */
char **aseq; /* aligned sequences */
AINFO ainfo; /* alignment information */
float *wgt; /* per-sequence weights */
int i;
struct plan7_s *hmm; /* HMM to align to */
struct p7trace_s **tr; /* traces for aligned sequences */
int be_quiet; /* TRUE to suppress verbose banner */
int matchonly; /* TRUE to show only match state syms */
const char *outfile; /* optional alignment output file */
FILE *ofp; /* handle on alignment output file */
AjPFile ajwithali; /* name of additional alignment file to align */
AjPFile ajmapali; /* name of additional alignment file to map */
AjBool ajmatch=ajFalse;
AjPFile outf=NULL;
AjPStr outfname=NULL;
AjPFile inf=NULL;
AjPStr infname=NULL;
AjPSeqset seqset=NULL;
AjPStr ajseqfile=NULL;
char* mapali=NULL;
char* withali=NULL;
#ifdef MEMDEBUG
unsigned long histid1, histid2, orig_size, current_size;
orig_size = malloc_inuse(&histid1);
fprintf(stderr, "[... memory debugging is ON ...]\n");
#endif
/***********************************************
* Parse command line
***********************************************/
matchonly = FALSE;
outfile = NULL;
be_quiet = FALSE;
withali = NULL;
mapali = NULL;
embInitPV("ohmmalign",argc,argv,"HMMER",VERSION);
ajmatch = ajAcdGetBoolean("matchonly");
if(ajmatch)
matchonly=TRUE;
else
matchonly=FALSE;
ajmapali = ajAcdGetInfile("mapalifile");
if (ajmapali)
mapali = ajCharNewS(ajFileGetNameS(ajmapali));
ajFileClose(&ajmapali);
ajwithali = ajAcdGetInfile("withalifile");
if (ajwithali)
withali = ajCharNewS(ajFileGetNameS(ajwithali));
ajFileClose(&ajwithali);
be_quiet=TRUE;
outf = ajAcdGetOutfile("outfile");
outfname = ajStrNewC((char *)ajFileGetNameC(outf));
if(*ajStrGetPtr(outfname)>31)
ajFileClose(&outf);
outfile = ajStrGetPtr(outfname);
inf = ajAcdGetInfile("hmmfile");
infname = ajStrNewC((char *)ajFileGetNameC(inf));
ajFileClose(&inf);
hmmfile = ajStrGetPtr(infname);
seqset = ajAcdGetSeqset("sequences");
ajseqfile = ajStrNewC(ajStrGetPtr(seqset->Filename));
seqfile = ajStrGetPtr(ajseqfile);
/***********************************************
* Open HMM file (might be in HMMERDB or current directory).
* Read a single HMM from it.
*
* Currently hmmalign disallows the J state and
* only allows one domain per sequence. To preserve
* the S/W entry information, the J state is explicitly
* disallowed, rather than calling a Plan7*Config() function.
* this is a workaround in 2.1 for the 2.0.x "yo!" bug.
***********************************************/
if ((hmmfp = HMMFileOpen(hmmfile, "HMMERDB")) == NULL)
ajFatal("Failed to open HMM file %s\n", hmmfile);
if (!HMMFileRead(hmmfp, &hmm))
ajFatal("Failed to read any HMMs from %s\n", hmmfile);
HMMFileClose(hmmfp);
if (hmm == NULL)
ajFatal("HMM file %s corrupt or in incorrect format? Parse failed", hmmfile);
hmm->xt[XTE][MOVE] = 1.; /* only 1 domain/sequence ("global" alignment) */
hmm->xt[XTE][LOOP] = 0.;
P7Logoddsify(hmm, TRUE);
/* do we have the map we might need? */
if (mapali != NULL && ! (hmm->flags & PLAN7_MAP))
ajFatal("HMMER: HMM file %s has no map; you can't use --mapali.", hmmfile);
/***********************************************
* Open sequence file in current directory.
* Read all seqs from it.
***********************************************/
/*
if (! SeqfileFormat(seqfile, &format, NULL))
switch (squid_errno) {
case SQERR_NOFILE:
ajFatal("Sequence file %s could not be opened for reading", seqfile);
case SQERR_FORMAT:
default:
ajFatal("Failed to determine format of sequence file %s", seqfile);
}
if (! ReadMultipleRseqs(seqfile, format, &rseq, &sqinfo, &nseq))
ajFatal("Failed to read any sequences from file %s", seqfile);
*/
emboss_rseqs(seqset,&rseq,&sqinfo,&nseq);
/***********************************************
* Show the banner
***********************************************/
be_quiet=TRUE;
if (! be_quiet)
{
/* Banner(stdout, banner); */
printf( "HMM file: %s\n", hmmfile);
printf( "Sequence file: %s\n", seqfile);
printf("- - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -\n\n");
}
/***********************************************
* Do the work
***********************************************/
/* Allocations and initializations.
*/
dsq = MallocOrDie(sizeof(char *) * nseq);
tr = MallocOrDie(sizeof(struct p7trace_s *) * nseq);
/* Align each sequence to the model, collect traces
*/
for (i = 0; i < nseq; i++)
{
dsq[i] = DigitizeSequence(rseq[i], sqinfo[i].len);
if (P7ViterbiSize(sqinfo[i].len, hmm->M) <= RAMLIMIT)
(void) P7Viterbi(dsq[i], sqinfo[i].len, hmm, &(tr[i]));
else
(void) P7SmallViterbi(dsq[i], sqinfo[i].len, hmm, &(tr[i]));
}
/* Include an aligned alignment, if desired.
*/
if (mapali != NULL)
include_alignment(mapali, hmm, TRUE, &rseq, &dsq, &sqinfo, &tr, &nseq);
if (withali != NULL)
include_alignment(withali, hmm, FALSE, &rseq, &dsq, &sqinfo, &tr, &nseq);
/* Turn traces into a multiple alignment
*/
wgt = MallocOrDie(sizeof(float) * nseq);
FSet(wgt, nseq, 1.0);
P7Traces2Alignment(dsq, sqinfo, wgt, nseq, hmm->M, tr, matchonly,
&aseq, &ainfo);
/***********************************************
* Output the alignment
***********************************************/
if (outfile != NULL && (ofp = fopen(outfile, "w")) != NULL)
{
WriteSELEX(ofp, aseq, &ainfo, 50);
printf("Alignment saved in file %s\n", outfile);
fclose(ofp);
}
else
WriteSELEX(stdout, aseq, &ainfo, 50);
/***********************************************
* Cleanup and exit
***********************************************/
for (i = 0; i < nseq; i++)
{
P7FreeTrace(tr[i]);
FreeSequence(rseq[i], &(sqinfo[i]));
free(dsq[i]);
}
FreeAlignment(aseq, &ainfo);
FreePlan7(hmm);
free(sqinfo);
free(rseq);
free(dsq);
free(wgt);
free(tr);
SqdClean();
ajStrDel(&outfname);
ajStrDel(&infname);
ajStrDel(&ajseqfile);
#ifdef MEMDEBUG
current_size = malloc_inuse(&histid2);
if (current_size != orig_size) malloc_list(2, histid1, histid2);
else fprintf(stderr, "[No memory leaks.]\n");
#endif
ajSeqsetDel(&seqset);
ajFileClose(&ajwithali);
ajFileClose(&ajmapali);
embExit();
return 0;
}
int main(int argc, char **argv)
{
AjPStr cl = NULL;
AjPSeqset seqset = NULL;
AjPSeqout seqout = NULL;
AjPStr stmp = NULL;
AjPStr email = NULL;
AjPStr fmt = NULL;
AjPStr trtab = NULL;
const AjPStr ofn = NULL;
AjPStr *applist = NULL;
AjBool crc = ajFalse;
AjBool alt = ajFalse;
AjBool iprlook = ajFalse;
AjBool goterms = ajFalse;
ajint trlen = 0;
ajuint i = 0;
ajuint lcnt = 0;
AjPStr fn = NULL;
AjPFile outf = NULL;
embInitPV("eiprscan", argc, argv, "IPRSCAN", VERSION);
seqset = ajAcdGetSeqset("sequence");
email = ajAcdGetString("email");
crc = ajAcdGetBoolean("crc");
applist = ajAcdGetList("appl");
fmt = ajAcdGetListSingle("format");
trtab = ajAcdGetListSingle("trtable");
trlen = ajAcdGetInt("trlen");
alt = ajAcdGetBoolean("altjobs");
iprlook = ajAcdGetBoolean("iprlookup");
goterms = ajAcdGetBoolean("goterms");
outf = ajAcdGetOutfile("outfile");
stmp = ajStrNew();
cl = ajStrNewC("iprscan -cli");
fn = ajStrNew();
ajFilenameSetTempname(&fn);
seqout = ajSeqoutNew();
if(!ajSeqoutOpenFilename(seqout, fn))
ajFatal("Cannot open temporary file %S",fn);
ajSeqoutSetFormatC(seqout, "fasta");
ajSeqoutWriteSet(seqout,seqset);
ajSeqoutClose(seqout);
ajFmtPrintS(&stmp," -i %S",fn);
ajStrAppendS(&cl,stmp);
if(!ajSeqsetIsProt(seqset))
ajStrAppendC(&cl," -seqtype n");
if(!crc)
ajStrAppendC(&cl," -nocrc");
if(ajStrGetLen(email))
{
ajFmtPrintS(&stmp," -email %S",email);
ajStrAppendS(&cl,stmp);
}
i = 0;
lcnt = 0;
while(applist[i])
{
++lcnt;
++i;
}
i = 0;
while(applist[i])
{
if(ajStrMatchC(applist[i],"all"))
{
if(lcnt != 1)
ajFatal("Cannot specify 'all' with multiple "
"applications");
++i;
continue;
}
ajFmtPrintS(&stmp," -appl %S",applist[i]);
ajStrAppendS(&cl,stmp);
++i;
}
ajFmtPrintS(&stmp," -format %S",fmt);
ajStrAppendS(&cl,stmp);
ajFmtPrintS(&stmp," -trtable %S",trtab);
ajStrAppendS(&cl,stmp);
ajFmtPrintS(&stmp," -trlen %d",trlen);
ajStrAppendS(&cl,stmp);
if(alt)
ajStrAppendC(&cl," -altjobs");
if(iprlook)
ajStrAppendC(&cl," -iprlookup");
if(goterms)
ajStrAppendC(&cl," -goterms");
ofn = ajFileGetNameS(outf);
ajFmtPrintS(&stmp," -o %S",ofn);
ajFileClose(&outf);
ajStrAppendS(&cl,stmp);
#if 0
ajFmtPrint("%S\n",cl);
#endif
#if 1
system(ajStrGetPtr(cl));
#endif
ajSysFileUnlink(fn);
ajStrDel(&cl);
ajStrDel(&fn);
ajStrDel(&stmp);
ajStrDel(&email);
ajStrDel(&fmt);
ajStrDel(&trtab);
ajStrDelarray(&applist);
ajSeqoutDel(&seqout);
ajSeqsetDel(&seqset);
embExit();
return 0;
}
int main(int argc, char **argv)
{
AjPSeqall nucseq; /* input nucleic sequences */
AjPSeqset protseq; /* input aligned protein sequences */
AjPSeqout seqout;
AjPSeq nseq; /* next nucleic sequence to align */
const AjPSeq pseq; /* next protein sequence use in alignment */
AjPTrn trnTable;
AjPSeq pep; /* translation of nseq */
AjPStr tablelist;
ajint table;
AjPSeqset outseqset; /* set of aligned nucleic sequences */
ajint proteinseqcount = 0;
AjPStr degapstr = NULL;
/* used to check if it matches with START removed */
AjPStr degapstr2 = NULL;
AjPStr codon = NULL; /* holds temporary codon to check if is START */
char aa; /* translated putative START codon */
ajint type; /* returned type of the putative START codon */
/* start position of guide protein in translation */
ajlong pos = 0;
AjPSeq newseq = NULL; /* output aligned nucleic sequence */
ajint frame;
embInit("tranalign", argc, argv);
nucseq = ajAcdGetSeqall("asequence");
protseq = ajAcdGetSeqset("bsequence");
tablelist = ajAcdGetListSingle("table");
seqout = ajAcdGetSeqoutset("outseq");
outseqset = ajSeqsetNew();
degapstr = ajStrNew();
/* initialise the translation table */
ajStrToInt(tablelist, &table);
trnTable = ajTrnNewI(table);
ajSeqsetFill(protseq);
while(ajSeqallNext(nucseq, &nseq))
{
if((pseq = ajSeqsetGetseqSeq(protseq, proteinseqcount++)) == NULL)
ajErr("No guide protein sequence available for "
"nucleic sequence %S",
ajSeqGetNameS(nseq));
ajDebug("Aligning %S and %S\n",
ajSeqGetNameS(nseq), ajSeqGetNameS(pseq));
/* get copy of pseq string with no gaps */
ajStrAssignS(°apstr, ajSeqGetSeqS(pseq));
ajStrRemoveGap(°apstr);
/*
** for each translation frame look for subset of pep that
** matches pseq
*/
for(frame = 1; frame <4; frame++)
{
ajDebug("trying frame %d\n", frame);
pep = ajTrnSeqOrig(trnTable, nseq, frame);
degapstr2 = ajStrNew();
ajStrAssignRef(°apstr2, degapstr);
pos = ajStrFindCaseS(ajSeqGetSeqS(pep), degapstr);
/*
** we might have a START codon that should be translated as 'M'
** we need to check if there is a match after a possible START
** codon
*/
if(pos == -1 && ajStrGetLen(degapstr) > 1 &&
(ajStrGetPtr(degapstr)[0] == 'M' ||
ajStrGetPtr(degapstr)[0] == 'm'))
{
/* see if pep minus the first character is a match */
ajStrCutStart(°apstr2, 1);
pos = ajStrFindCaseS(ajSeqGetSeqS(pep), degapstr2);
/*
** pos is >= 1 if we have a match that is after the first
** residue
*/
if(pos >= 1)
{
/* point back at the putative START Methionine */
pos--;
/* test if first codon is a START */
codon = ajStrNew();
ajStrAssignSubS(&codon, ajSeqGetSeqS(nseq),
(pos*3)+frame-1, (pos*3)+frame+2);
type = ajTrnCodonstrTypeS(trnTable, codon, &aa);
if(type != 1)
{
/* first codon is not a valid START, force a mismatch */
pos = -1;
}
ajStrDel(&codon);
}
else
{
/* force 'pos == 0' to be treated as a mismatch */
pos = -1;
}
}
ajStrDel(°apstr2);
ajSeqDel(&pep);
if(pos != -1)
break;
}
if(pos == -1)
ajErr("Guide protein sequence %S not found in nucleic sequence %S",
ajSeqGetNameS(pseq), ajSeqGetNameS(nseq));
else
{
ajDebug("got a match with frame=%d\n", frame);
/* extract the coding region of nseq with gaps */
newseq = ajSeqNew();
ajSeqSetNuc(newseq);
ajSeqAssignNameS(newseq, ajSeqGetNameS(nseq));
ajSeqAssignDescS(newseq, ajSeqGetDescS(nseq));
tranalign_AddGaps(newseq, nseq, pseq, (pos*3)+frame-1);
/* output the gapped nucleic sequence */
ajSeqsetApp(outseqset, newseq);
ajSeqDel(&newseq);
}
ajStrRemoveWhiteExcess(°apstr);
}
ajSeqoutWriteSet(seqout, outseqset);
ajSeqoutClose(seqout);
ajTrnDel(&trnTable);
ajSeqsetDel(&outseqset);
ajStrDel(°apstr);
ajStrDel(°apstr2);
ajSeqallDel(&nucseq);
ajSeqDel(&nseq);
ajSeqoutDel(&seqout);
ajSeqsetDel(&protseq);
ajStrDel(&tablelist);
embExit();
return 0;
}
int main(int argc, char **argv)
{
AjPSeqset seqset = NULL;
AjPStr cl = NULL;
AjPSeqout seqout = NULL;
float cutoff = 0.;
AjBool best = ajFalse;
AjBool gff = ajFalse;
AjBool two = ajFalse;
AjBool kinase = ajFalse;
AjPStr rsd = NULL;
AjBool addseq = ajFalse;
AjBool plot = ajFalse;
const AjPStr ofn = NULL;
AjPStr fn = NULL;
AjPStr stmp = NULL;
AjPFile outf = NULL;
embInitPV("enetphos", argc, argv, "CBSTOOLS", VERSION);
seqset = ajAcdGetSeqset("sequence");
outf = ajAcdGetOutfile("outfile");
plot = ajAcdGetBoolean("plot");
best = ajAcdGetBoolean("best");
gff = ajAcdGetBoolean("gff");
two = ajAcdGetBoolean("two");
kinase = ajAcdGetBoolean("kinase");
addseq = ajAcdGetBoolean("addseq");
cutoff = ajAcdGetFloat("cutoff");
rsd = ajAcdGetListSingle("residue");
cl = ajStrNewC("netphos ");
fn = ajStrNew();
stmp = ajStrNew();
ajFilenameSetTempname(&fn);
seqout = ajSeqoutNew();
if(!ajSeqoutOpenFilename(seqout, fn))
ajFatal("Cannot open temporary file %S",fn);
ajSeqoutSetFormatC(seqout, "fasta");
ajSeqoutWriteSet(seqout,seqset);
ajSeqoutClose(seqout);
if(ajStrMatchC(rsd,"serine"))
ajStrAppendC(&cl," -s");
else if(ajStrMatchC(rsd,"threonine"))
ajStrAppendC(&cl," -t");
else if(ajStrMatchC(rsd,"tyrosine"))
ajStrAppendC(&cl," -y");
if(plot)
ajStrAppendC(&cl," -g");
if(two)
ajStrAppendC(&cl," -2");
if(best)
ajStrAppendC(&cl," -b");
if(gff)
ajStrAppendC(&cl," -f gff");
if(kinase)
ajStrAppendC(&cl," -k");
if(addseq)
ajStrAppendC(&cl," -S");
ajFmtPrintS(&stmp," -c %f",cutoff);
ajStrAppendS(&cl,stmp);
ajFmtPrintS(&stmp," %S",fn);
ajStrAppendS(&cl,stmp);
ofn = ajFileGetNameS(outf);
ajFmtPrintS(&stmp," > %S",ofn);
ajStrAppendS(&cl,stmp);
ajFileClose(&outf);
#if 0
ajFmtPrint("%S\n",cl);
#endif
#if 1
if(system(ajStrGetPtr(cl)) == -1)
ajFatal("Command %S failed",cl);
#endif
ajSysFileUnlink(fn);
ajStrDel(&cl);
ajStrDel(&fn);
ajStrDel(&stmp);
ajStrDel(&rsd);
ajSeqoutDel(&seqout);
ajSeqsetDel(&seqset);
embExit();
return 0;
}
int main(int argc, char **argv)
{
/* ACD data item variables */
AjPFile hmmfile = NULL;
AjPSeqset seqfile = NULL;
AjPFile mapali = NULL;
AjPFile withali = NULL;
AjPAlign o = NULL;
AjBool m = ajFalse;
AjBool q = ajFalse;
/* Housekeeping variables */
AjPStr cmd = NULL;
AjPStr fmt = NULL;
AjBool fmtok = ajFalse;
AjPStr rnd = NULL;
AjPSeqout rndo = NULL;
/* ACD file processing */
embInitPV("ehmmalign",argc,argv,"HMMERNEW",VERSION);
hmmfile = ajAcdGetInfile("hmmfile");
seqfile = ajAcdGetSeqset("seqfile");
mapali = ajAcdGetInfile("mapali");
withali = ajAcdGetInfile("withali");
o = ajAcdGetAlign("o");
m = ajAcdGetBoolean("m");
q = ajAcdGetBoolean("q");
/* MAIN APPLICATION CODE */
/* 1. Housekeeping */
cmd = ajStrNew();
fmt = ajStrNew();
rnd = ajStrNew();
/* 2. Re-write seqfile to a temporary file in a format (fasta) HMMER can understand.
We cannot just pass the name of seqfile to HMMER as the name provided might be a
USA which HMMER would not understand. */
ajFilenameSetTempname(&rnd);
rndo = ajSeqoutNew();
if(!ajSeqoutOpenFilename(rndo, rnd))
ajFatal("Terminal ajSeqFileNewOut failure. Email EMBOSS helpdesk!\n");
ajSeqoutSetFormatC(rndo, "fasta");
ajSeqoutWriteSet(rndo, seqfile);
ajSeqoutClose(rndo);
ajSeqoutDel(&rndo);
/* 3. Build hmmalign command line */
/* Command line is built in this order:
i. Application name.
ii. HMMER 'options' (in order they appear in ACD file)
iii.HMMER 'options' (that don't appear in ACD file)
iv. HMMER & new parameters.
*/
ajFmtPrintS(&cmd, "%S ", ajAcdGetpathC("hmmalign"));
if(mapali)
ajFmtPrintAppS(&cmd, " --mapali %s ", ajFileGetNameC(mapali));
if(withali)
ajFmtPrintAppS(&cmd, " --withali %s ", ajFileGetNameC(withali));
if(m)
ajStrAppendC(&cmd, " -m ");
if(q)
ajStrAppendC(&cmd, " -q ");
/* Ensure output alignment is in user-specified format. */
fmtok=ajTrue;
ajStrAssignS(&fmt, ajAlignGetFormat(o));
/* fasta and a2m are identical formats. */
if(ajStrMatchC(fmt, "fasta"))
ajStrAssignC(&fmt, "A2M");
else if(ajStrMatchC(fmt, "a2m"))
ajStrAssignC(&fmt, "A2M");
else if(ajStrMatchC(fmt, "msf"))
ajStrAssignC(&fmt, "MSF");
else if(ajStrMatchC(fmt, "phylip"))
ajStrAssignC(&fmt, "PHYLIP");
/* hmmer also supports stockholm, SELEX & Clustal output, EMBOSS does not.
EMBOSS supports unknown/multiple/simple and srs output, hmmer does not. */
else
fmtok = ajFalse;
if(!fmtok)
{
/* This could be replaced with code to reformat the file. */
ajWarn("Specified output alignment format ('o' ACD option) is "
"not understood by HMMER. Using stockholm format instead.");
ajStrAssignC(&fmt, "Stockholm");
}
/* rnd is the name of the rewritten seqfile. MUST specify FASTA format explicitly. */
ajFmtPrintAppS(&cmd, " --informat FASTA --outformat %S -o %s %s %S",
fmt,
ajAlignGetFilename(o),
ajFileGetNameC(hmmfile),
rnd);
/* 4. Close ACD files */
ajFileClose(&hmmfile);
ajSeqsetDel(&seqfile);
ajFileClose(&mapali);
ajFileClose(&withali);
ajAlignClose(o);
ajAlignDel(&o);
/* 5. Call hmmalign */
ajFmtPrint("\n%S\n\n", cmd);
ajSysExecS(cmd);
/* 6. Exit cleanly */
ajSysFileUnlinkS(rnd);
ajStrDel(&cmd);
ajStrDel(&fmt);
ajStrDel(&rnd);
embExit();
return 0;
}
int main(int argc, char **argv)
{
AjPSeqall seq1;
AjPSeqset seq2;
AjPSeq a;
const AjPSeq b;
AjPStr m = 0;
AjPStr n = 0;
AjPFile errorf;
AjBool show = ajFalse;
ajint lena = 0;
ajint lenb = 0;
const char *p;
const char *q;
AjPMatrixf matrix;
AjPSeqCvt cvt = 0;
float **sub;
ajint *compass = NULL;
float *path = NULL;
float gapopen;
float gapextend;
float score;
ajint begina;
ajint i;
ajuint k;
ajint beginb;
ajint start1 = 0;
ajint start2 = 0;
ajint end1 = 0;
ajint end2 = 0;
ajint width = 0;
AjPTable seq1MatchTable = 0;
ajint wordlen = 6;
ajint oldmax = 0;
AjPAlign align = NULL;
embInit("supermatcher", argc, argv);
matrix = ajAcdGetMatrixf("datafile");
seq1 = ajAcdGetSeqall("asequence");
seq2 = ajAcdGetSeqset("bsequence");
gapopen = ajAcdGetFloat("gapopen");
gapextend = ajAcdGetFloat("gapextend");
wordlen = ajAcdGetInt("wordlen");
align = ajAcdGetAlign("outfile");
errorf = ajAcdGetOutfile("errorfile");
width = ajAcdGetInt("width"); /* not the same as awidth */
gapopen = ajRoundFloat(gapopen, 8);
gapextend = ajRoundFloat(gapextend, 8);
sub = ajMatrixfGetMatrix(matrix);
cvt = ajMatrixfGetCvt(matrix);
embWordLength(wordlen);
ajSeqsetTrim(seq2);
while(ajSeqallNext(seq1,&a))
{
ajSeqTrim(a);
begina = 1 + ajSeqGetOffset(a);
m = ajStrNewRes(1+ajSeqGetLen(a));
lena = ajSeqGetLen(a);
ajDebug("Read '%S'\n", ajSeqGetNameS(a));
if(!embWordGetTable(&seq1MatchTable, a)) /* get table of words */
ajErr("Could not generate table for %s\n",
ajSeqGetNameC(a));
for(k=0;k<ajSeqsetGetSize(seq2);k++)
{
b = ajSeqsetGetseqSeq(seq2, k);
lenb = ajSeqGetLen(b);
beginb = 1 + ajSeqGetOffset(b);
ajDebug("Processing '%S'\n", ajSeqGetNameS(b));
p = ajSeqGetSeqC(a);
q = ajSeqGetSeqC(b);
if(!supermatcher_findstartpoints(seq1MatchTable,b,a,
&start1, &start2,
&end1, &end2))
{
ajFmtPrintF(errorf,
"No wordmatch start points for "
"%s vs %s. No alignment\n",
ajSeqGetNameC(a),ajSeqGetNameC(b));
continue;
}
n=ajStrNewRes(1+ajSeqGetLen(b));
ajStrAssignC(&m,"");
ajStrAssignC(&n,"");
ajDebug("++ %S v %S start:%d %d end:%d %d\n",
ajSeqGetNameS(a), ajSeqGetNameS(b),
start1, start2, end1, end2);
if(end1-start1+1 > oldmax)
{
oldmax = ((end1-start1)+1);
AJRESIZE(path,oldmax*width*sizeof(float));
AJRESIZE(compass,oldmax*width*sizeof(ajint));
ajDebug("++ resize to oldmax: %d\n", oldmax);
}
for(i=0;i<((end1-start1)+1)*width;i++)
path[i] = 0.0;
ajDebug("Calling embAlignPathCalcFast "
"%d..%d [%d/%d] %d..%d [%d/%d]\n",
start1, end1, (end1 - start1 + 1), lena,
start2, end2, (end2 - start2 + 1), lenb);
score = embAlignPathCalcSWFast(&p[start1],&q[start2],
end1-start1+1,end2-start2+1,
0,width,
gapopen,gapextend,
path,sub,cvt,
compass,show);
embAlignWalkSWMatrixFast(path,compass,gapopen,gapextend,a,b,
&m,&n,end1-start1+1,end2-start2+1,
0,width,
&start1,&start2);
if(!ajAlignFormatShowsSequences(align))
{
ajAlignDefineCC(align, ajStrGetPtr(m),
ajStrGetPtr(n), ajSeqGetNameC(a),
ajSeqGetNameC(b));
ajAlignSetScoreR(align, score);
}
else
{
embAlignReportLocal(align, a, b,
m,n,start1,start2,
gapopen, gapextend,
score,matrix, begina, beginb);
}
ajAlignWrite(align);
ajAlignReset(align);
ajStrDel(&n);
}
embWordFreeTable(&seq1MatchTable); /* free table of words */
seq1MatchTable=0;
ajStrDel(&m);
}
if(!ajAlignFormatShowsSequences(align))
{
ajMatrixfDel(&matrix);
}
AJFREE(path);
AJFREE(compass);
ajAlignClose(align);
ajAlignDel(&align);
ajSeqallDel(&seq1);
ajSeqDel(&a);
ajSeqsetDel(&seq2);
ajFileClose(&errorf);
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)
{
/* ACD data item variables */
AjPSeqset alignfile = NULL;
AjPFile prior = NULL;
AjPFile null = NULL;
AjPFile pam = NULL;
float pamwgt = 0.0;
AjPStr nhmm = NULL;
AjPStr strategy = NULL;
ajint pbswitch = 0;
float archpri = 0.0;
AjBool binary = ajFalse;
AjBool fast = ajFalse;
float gapmax = 0.0;
AjBool hand = ajFalse;
float idlevel = 0.0;
AjBool noeff = ajFalse;
float swentry = 0.0;
float swexit = 0.0;
AjBool verbosity = ajFalse;
AjPStr weighting = NULL;
AjPFile hmmfile = NULL;
AjPFile o = NULL;
AjPFile cfile = NULL;
/* Housekeeping variables */
AjPStr cmd = NULL;
AjPStr rnd1 = NULL;
AjPStr rnd2 = NULL;
AjPStr tmp = NULL;
AjPStr fmt = NULL;
char option;
AjBool fmtok = ajFalse;
AjPStr hmmfilename = NULL;
/* ACD file processing */
embInitPV("ehmmbuild",argc,argv,"HMMERNEW",VERSION);
alignfile = ajAcdGetSeqset("alignfile");
prior = ajAcdGetInfile("prior");
null = ajAcdGetInfile("null");
pam = ajAcdGetInfile("pam");
pamwgt = ajAcdGetFloat("pamwgt");
nhmm = ajAcdGetString("nhmm");
strategy = ajAcdGetListSingle("strategy");
pbswitch = ajAcdGetInt("pbswitch");
archpri = ajAcdGetFloat("archpri");
binary = ajAcdGetBoolean("binary");
fast = ajAcdGetBoolean("fast");
gapmax = ajAcdGetFloat("gapmax");
hand = ajAcdGetBoolean("hand");
idlevel = ajAcdGetFloat("sidlevel");
noeff = ajAcdGetBoolean("noeff");
swentry = ajAcdGetFloat("swentry");
swexit = ajAcdGetFloat("swexit");
verbosity = ajAcdGetBoolean("verbosity");
weighting = ajAcdGetListSingle("weighting");
hmmfile = ajAcdGetOutfile("hmmfile");
o = ajAcdGetOutfile("o");
cfile = ajAcdGetOutfile("cfile");
/* MAIN APPLICATION CODE */
/* 1. Housekeeping */
cmd = ajStrNew();
rnd1 = ajStrNew();
rnd2 = ajStrNew();
tmp = ajStrNew();
fmt = ajStrNew();
hmmfilename = ajStrNew();
ajStrAssignC(&hmmfilename, ajFileGetNameC(hmmfile));
/* 2. Ensure alignfile is in format HMMER can understand. These include
FASTA, GENBANK,EMBL, GCG, PIR, STOCKHOLM, SELEX, MSF,CLUSTAL and PHYLIP.
EMBOSS name definitions are taken from seqInFormatDef in ajseqread.c and
seqOutFormat in ajseqwrite.c */
fmtok=ajFalse;
ajStrAssignS(&fmt, ajSeqsetGetFormat(alignfile));
if(ajStrMatchC(fmt, "fasta") ||
ajStrMatchC(fmt, "genbank") ||
ajStrMatchC(fmt, "embl") ||
ajStrMatchC(fmt, "gcg") ||
ajStrMatchC(fmt, "pir") ||
ajStrMatchC(fmt, "stockholm")||
ajStrMatchC(fmt, "selex") ||
ajStrMatchC(fmt, "msf") ||
ajStrMatchC(fmt, "clustal") ||
ajStrMatchC(fmt, "phylip"))
fmtok = ajTrue;
/* This could be replaced with code to reformat the file. */
if(!fmtok)
ajFatal("Input alignment ('alignfile' ACD option) is not in format "
"HMMER understands. Please use a a file in FASTA, GENBANK, "
"EMBL, GCG, PIR, STOCKHOLM, SELEX, MSF,CLUSTAL or PHYLIP format.");
/* 3. Build hmmbuild command line */
/* Command line is built in this order:
i. Application name.
ii. HMMER 'options' (in order they appear in ACD file)
iii.HMMER 'options' (that don't appear in ACD file)
iv. HMMER & new parameters.
*/
ajStrAssignS(&cmd, ajAcdGetpathC("hmmbuild"));
if(prior)
ajFmtPrintAppS(&cmd, " --prior %s ", ajFileGetNameC(prior));
if(null)
ajFmtPrintS(&cmd, " --null %s ", ajFileGetNameC(null));
if(pam)
ajFmtPrintAppS(&cmd, " --pam %s --pamwgt %f ", ajFileGetNameC(pam), pamwgt);
ajFmtPrintAppS(&cmd, " -n %S ", nhmm);
/* ACD option only allows one selection */
option = ajStrGetCharFirst(strategy);
if(option == 'F')
ajStrAppendC(&cmd, " -f ");
else if(option == 'G')
ajStrAppendC(&cmd, " -g ");
else if(option == 'S')
ajStrAppendC(&cmd, " -s ");
/* else go with default ('D' option in ACD file) */
ajFmtPrintAppS(&cmd, " --pbswitch %d ", pbswitch);
ajFmtPrintAppS(&cmd, " --archpri %f ", archpri);
if(binary)
ajStrAppendC(&cmd, " --binary ");
if(fast)
ajFmtPrintAppS(&cmd, " --fast --gapmax %f ", gapmax);
if(hand)
ajStrAppendC(&cmd, " --hand ");
ajFmtPrintAppS(&cmd, " --idlevel %f ", idlevel);
if(noeff)
ajStrAppendC(&cmd, " --noeff ");
ajFmtPrintAppS(&cmd, " --swentry %f ", swentry);
ajFmtPrintAppS(&cmd, " --swexit %f ", swexit);
if(verbosity)
ajStrAppendC(&cmd, " --verbose ");
/* ACD option only allows one selection */
option = ajStrGetCharFirst(weighting);
if(option == 'B')
ajStrAppendC(&cmd, " --wblosum ");
else if(option == 'G')
ajStrAppendC(&cmd, " --wgsc ");
else if(option == 'K')
ajStrAppendC(&cmd, " --wme ");
else if(option == 'W')
ajStrAppendC(&cmd, " --wpb ");
else if(option == 'V')
ajStrAppendC(&cmd, " --wvoronoi ");
else if(option == 'N')
ajStrAppendC(&cmd, " --wnone ");
if(o)
ajFmtPrintAppS(&cmd, " -o %s ", ajFileGetNameC(o));
if(cfile)
ajFmtPrintAppS(&cmd, " --cfile %s ", ajFileGetNameC(cfile));
/* -A (append) always set but file will be wiped by EMBOSS first unless
append: "Y" is set for "hmmfile" in the ACD file. */
ajStrAppendC(&cmd, " -A -F ");
ajFmtPrintAppS(&cmd, " %S %S", hmmfilename, ajSeqsetGetFilename(alignfile));
/* 4. Close ACD files */
ajSeqsetDel(&alignfile);
ajFileClose(&prior);
ajFileClose(&null);
ajFileClose(&pam);
ajFileClose(&hmmfile);
ajFileClose(&o);
ajFileClose(&cfile);
/* 5. Call hmmbuild */
ajFmtPrint("\n%S\n", cmd);
system(ajStrGetPtr(cmd));
/* 6. Exit cleanly */
ajStrDel(&nhmm);
ajStrDel(&cmd);
ajStrDel(&rnd1);
ajStrDel(&rnd2);
ajStrDel(&tmp);
ajStrDel(&fmt);
ajStrDel(&hmmfilename);
ajStrDel(&strategy);
ajStrDel(&weighting);
embExit();
return 0;
}
int main(int argc, char **argv)
{
/* ACD data item variables */
AjPSeqset dataset = NULL;
AjPFile bfile = NULL;
AjPFile plib = NULL;
AjPStr mod = NULL;
ajint nmotifs = 0;
AjBool text = ajFalse;
AjPStr prior = NULL;
float evt = 0.0;
ajint nsites = 0;
ajint minsites = 0;
ajint maxsites = 0;
float wnsites = 0.0;
ajint w = 0;
ajint minw = 0;
ajint maxw = 0;
AjBool nomatrim = ajFalse;
ajint wg = 0;
ajint ws = 0;
AjBool noendgaps = ajFalse;
AjBool revcomp = ajFalse;
AjBool pal = ajFalse;
AjBool nostatus = ajFalse;
ajint maxiter = 0;
float distance = 0.0;
float b = 0.0;
float spfuzz = 0.0;
AjPStr spmap = NULL;
AjPStr cons = NULL;
ajint maxsize = 0;
ajint p = 0;
ajint time = 0;
AjPStr sf = NULL;
ajint heapsize = 64;
AjBool xbranch = ajFalse;
AjBool wbranch = ajFalse;
ajint bfactor = 0;
AjPFile outtext = NULL;
/* Housekeeping variables */
AjPStr cmd = NULL;
AjPStr ssname = NULL;
AjPSeqout outseq = NULL;
AjPStr tmp = NULL;
char option;
/* ACD file processing */
embInitPV("ememetext",argc,argv,"MEME",VERSION);
dataset = ajAcdGetSeqset("dataset");
bfile = ajAcdGetInfile("bfile");
plib = ajAcdGetInfile("plibfile");
mod = ajAcdGetSelectSingle("mod");
nmotifs = ajAcdGetInt("nmotifs");
text = ajAcdGetBoolean("text");
prior = ajAcdGetSelectSingle("prior");
evt = ajAcdGetFloat("evt");
nsites = ajAcdGetInt("nsites");
minsites = ajAcdGetInt("minsites");
maxsites = ajAcdGetInt("maxsites");
wnsites = ajAcdGetFloat("wnsites");
w = ajAcdGetInt("w");
minw = ajAcdGetInt("minw");
maxw = ajAcdGetInt("maxw");
nomatrim = ajAcdGetBoolean("nomatrim");
wg = ajAcdGetInt("wg");
ws = ajAcdGetInt("ws");
noendgaps = ajAcdGetBoolean("noendgaps");
revcomp = ajAcdGetBoolean("revcomp");
pal = ajAcdGetBoolean("pal");
nostatus = ajAcdGetBoolean("nostatus");
maxiter = ajAcdGetInt("maxiter");
distance = ajAcdGetFloat("distance");
b = ajAcdGetFloat("b");
spfuzz = ajAcdGetFloat("spfuzz");
spmap = ajAcdGetSelectSingle("spmap");
cons = ajAcdGetString("cons");
maxsize = ajAcdGetInt("maxsize");
p = ajAcdGetInt("p");
time = ajAcdGetInt("time");
sf = ajAcdGetString("sf");
heapsize = ajAcdGetInt("heapsize");
xbranch = ajAcdGetBoolean("xbranch");
wbranch = ajAcdGetBoolean("wbranch");
bfactor = ajAcdGetInt("bfactor");
outtext = ajAcdGetOutfile("outtext");
outseq = ajAcdGetSeqoutset("outseq");
/* MAIN APPLICATION CODE */
/* 1. Housekeeping */
cmd = ajStrNew();
tmp = ajStrNew();
/* 2. Re-write dataset to a temporary file in a format (fasta) MEME
** can understand.
** Can't just pass the name of dataset to MEME as the name provided
** might be a USA which MEME would not understand.
*/
ssname = ajStrNewS(ajFileGetNameS(outseq->File));
ajSeqoutSetFormatC(outseq, "fasta");
ajSeqoutWriteSet(outseq, dataset);
ajSeqoutClose(outseq);
ajSeqoutDel(&outseq);
/* 3. Build ememe command line */
/* Command line is built in this order:
i. Application name.
ii. Original MEME options (in order they appear in ACD file)
iii.Original MEME options (that don't appear in ACD file)
iv. EMBASSY MEME new qualifiers and parameters.
*/
ajStrAssignS(&cmd, ajAcdGetpathC("meme"));
ajFmtPrintAppS(&cmd, " %S", ssname);
if(bfile)
ajFmtPrintAppS(&cmd, " -bfile %s ", ajFileGetNameC(bfile));
if(plib)
ajFmtPrintAppS(&cmd, " -plib %s ", ajFileGetNameC(plib));
option = ajStrGetCharFirst(mod);
if(option == 'o')
ajStrAppendC(&cmd, " -mod oops ");
else if(option == 'z')
ajStrAppendC(&cmd, " -mod zoops ");
else if(option == 'a')
ajStrAppendC(&cmd, " -mod anr ");
if(nmotifs != 1)
ajFmtPrintAppS(&cmd, " -nmotifs %d ", nmotifs);
if(text)
ajFmtPrintAppS(&cmd, " -text ");
ajFmtPrintAppS(&cmd, " -prior %S ", prior);
if(evt != -1)
ajFmtPrintAppS(&cmd, " -evt %f ", evt);
if(nsites != -1)
ajFmtPrintAppS(&cmd, " -nsites %d ", nsites);
else
{
if(minsites != -1)
ajFmtPrintAppS(&cmd, " -minsites %d ", minsites);
if(maxsites != -1)
ajFmtPrintAppS(&cmd, " -maxsites %d ", maxsites);
}
if(wnsites < 0.7999 || wnsites > .8001)
ajFmtPrintAppS(&cmd, " -wnsites %f ", wnsites);
if(w != -1)
ajFmtPrintAppS(&cmd, " -w %d ", w);
if(minw != 8)
ajFmtPrintAppS(&cmd, " -minw %d ", minw);
if(maxw != 50)
ajFmtPrintAppS(&cmd, " -maxw %d ", maxw);
if(nomatrim)
ajFmtPrintAppS(&cmd, " -nomatrim ");
if(wg != 11)
ajFmtPrintAppS(&cmd, " -wg %d ", wg);
if(ws != 1)
ajFmtPrintAppS(&cmd, " -ws %d ", ws);
if(noendgaps)
ajFmtPrintAppS(&cmd, " -noendgaps ");
if(revcomp)
ajFmtPrintAppS(&cmd, " -revcomp ");
if(pal && ajSeqsetIsNuc(dataset))
ajFmtPrintAppS(&cmd, " -pal ");
if(nostatus)
ajFmtPrintAppS(&cmd, " -nostatus ");
if(maxiter != 50)
ajFmtPrintAppS(&cmd, " -maxiter %d ", maxiter);
if(distance < 0.00099 || distance > 0.00101)
ajFmtPrintAppS(&cmd, " -distance %f ", distance);
if(b != -1)
ajFmtPrintAppS(&cmd, " -b %f ", b);
if(spfuzz != -1)
ajFmtPrintAppS(&cmd, " -spfuzz %f ", spfuzz);
if(!ajStrMatchC(spmap,"default"))
ajFmtPrintAppS(&cmd, " -spmap %S ", spmap);
if(MAJSTRGETLEN(cons))
ajFmtPrintAppS(&cmd, "-cons %S", cons);
if(maxsize != -1)
ajFmtPrintAppS(&cmd, " -maxsize %d ", maxsize);
if(p > 0)
ajFmtPrintAppS(&cmd, " -p %d ", p);
if(time > 0)
ajFmtPrintAppS(&cmd, " -time %d ", time);
if(MAJSTRGETLEN(sf))
ajFmtPrintAppS(&cmd, " -sf %S", sf);
if(heapsize != 64)
ajFmtPrintAppS(&cmd, " -heapsize %d ", heapsize);
if(xbranch)
ajFmtPrintAppS(&cmd, " -x_branch");
if(wbranch)
ajFmtPrintAppS(&cmd, " -w_branch");
if(bfactor != 3)
ajFmtPrintAppS(&cmd, " -bfactor %d ", bfactor);
if(ajSeqsetIsProt(dataset))
ajFmtPrintAppS(&cmd, "-protein ");
else
ajFmtPrintAppS(&cmd, "-dna ");
ajFmtPrintAppS(&cmd, " -text");
ajFmtPrintAppS(&cmd, " > %S ", ajFileGetNameS(outtext));
/* 4. Close files from ACD before calling meme */
ajFileClose(&bfile);
ajFileClose(&plib);
/* 5. Call meme */
/* ajFmtPrint("\n%S\n", cmd); */
system(ajStrGetPtr(cmd));
/* 6. Exit cleanly */
ajSeqsetDel(&dataset);
ajStrDel(&cons);
ajStrDel(&sf);
ajStrDel(&mod);
ajStrDel(&prior);
ajStrDel(&spmap);
ajStrDel(&cmd);
ajStrDel(&ssname);
ajStrDel(&tmp);
ajFileClose(&bfile);
ajFileClose(&plib);
ajFileClose(&outtext);
ajSeqoutDel(&outseq);
embExit();
return 0;
}
int main(int argc, char **argv)
{
/* Variable Declarations */
AjPSeqset seqset = NULL;
AjPMatrixf fmat = NULL;
float thresh;
float threshlow;
float threshup;
float gapopen;
float gapextend;
AjPSeqout seqout = NULL;
AjPSeqout seqoutred = NULL;
AjPStr mode = NULL;
ajint moden;
ajuint i;
/* toggle "feature" from ACD not retrieved ... no need */
const AjPSeq seq = NULL;
AjPList list = NULL; /* List for redundancy removal. */
AjPUint keep = NULL; /* 1: Sequence in list was non-redundant,
0: redundant. */
ajuint nseq = 0; /* No. seqs. in list. */
ajint nseqnr = 0; /* No. non-redundant seqs. in list. */
/* ACD File Processing */
embInit("skipredundant", argc, argv);
seqset = ajAcdGetSeqset("sequences");
mode = ajAcdGetListSingle("mode");
fmat = ajAcdGetMatrixf("datafile");
thresh = ajAcdGetFloat("threshold");
threshlow = ajAcdGetFloat("minthreshold");
threshup = ajAcdGetFloat("maxthreshold");
gapopen = ajAcdGetFloat("gapopen");
gapextend = ajAcdGetFloat("gapextend");
seqout = ajAcdGetSeqoutall("outseq");
seqoutred = ajAcdGetSeqoutall("redundantoutseq");
/* Application logic */
list = ajListNew();
skipredundant_SeqsetToList(list, seqset);
keep = ajUintNew();
ajStrToInt(mode, &moden);
if(moden == 1)
/* Remove redundancy at a single threshold % sequence similarity */
{
if((!embDmxSeqNR(list, &keep, &nseqnr, fmat, gapopen,
gapextend, thresh, ajFalse)))
ajFatal("embDmxSeqNR unexpected failure!");
}
else if (moden == 2)
/* 2: Remove redundancy outside a range of acceptable threshold % similarity */
{
if((!embDmxSeqNRRange(list, &keep, &nseqnr, fmat, gapopen,
gapextend, threshlow, threshup, ajFalse)))
ajFatal("embDmxSeqNRRange unexpected failure!");
}
else
ajFatal("Invalid mode (not 1 or 2) which should never occur (check ACD file!)");
nseq = ajSeqsetGetSize(seqset);
for(i=0; i<nseq; i++)
{
seq = ajSeqsetGetseqSeq(seqset, i);
if(ajUintGet(keep, i))
ajSeqoutWriteSeq(seqout, seq);
else if(seqoutred)
ajSeqoutWriteSeq(seqoutred, seq);
}
/* Memory management and exit */
ajSeqsetDel(&seqset);
ajMatrixfDel(&fmat);
ajStrDel(&mode);
ajSeqoutClose(seqout);
ajSeqoutDel(&seqout);
if(seqoutred)
{
ajSeqoutClose(seqoutred);
ajSeqoutDel(&seqoutred);
}
skipredundant_ClearList(list);
ajListFree(&list);
ajUintDel(&keep);
embExit();
return 0;
}
/* @prog seqnr **************************************************************
**
** Removes redundancy from DHF files (domain hits files) or other files of
** sequences.
**
****************************************************************************/
int main(int argc, char **argv)
{
/* Variable declarations */
AjPList in = NULL; /* Names of domain hits files (input). */
AjPStr inname = NULL; /* Full name of the current DHF file. */
AjPFile inf = NULL; /* Current DHF file. */
EmbPHitlist infhits = NULL; /* Hitlist from DHF file */
AjBool dosing = ajFalse; /* Filter using singlet sequences. */
AjPDir singlets = NULL; /* Singlets (input). */
AjBool dosets = ajFalse; /* Filter using sets of sequences. */
AjPDir insets = NULL; /* Sets (input). */
AjPStr mode = NULL; /* Mode of operation */
ajint moden = 0; /* Mode 1: single threshold for redundancy
removal, 2: lower and upper thresholds
for redundancy removal. */
float thresh = 0.0; /* Threshold for non-redundancy. */
float threshlow = 0.0; /* Threshold (lower limit). */
float threshup = 0.0; /* Threshold (upper limit). */
AjPMatrixf matrix = NULL; /* Substitution matrix. */
float gapopen = 0.0; /* Gap insertion penalty. */
float gapextend = 0.0; /* Gap extension penalty. */
AjPDirout out = NULL; /* Domain hits files (output). */
AjPFile outf = NULL; /* Current DHF file (output). */
AjBool dored = ajFalse; /* True if redundant hits are output. */
AjPDirout outred = NULL; /* DHF files for redundant hits (output).*/
AjPFile redf = NULL; /* Current DHF file redundancy (output). */
AjPStr outname = NULL; /* Name of output file (re-used). */
AjPFile logf = NULL; /* Log file pointer. */
AjBool ok = ajFalse; /* Housekeeping. */
AjPSeqset seqset = NULL; /* Seqset (re-used). */
AjPSeqin seqin = NULL; /* Seqin (re-used). */
AjPList seq_list = NULL; /* Main list for redundancy removal. */
EmbPDmxNrseq seq_tmp = NULL; /* Temp. pointer for making seq_list. */
ajint seq_siz = 0; /* Size of seq_list. */
AjPUint keep = NULL; /* 1: Sequence in seq_list was classed as
non-redundant, 0: redundant. */
AjPUint nokeep = NULL; /* Inversion of keep array. */
ajint nseqnr = 0; /* No. non-redundant seqs. in seq_list. */
AjPStr filtername= NULL; /* Name of filter file (re-used). */
AjPFile filterf = NULL; /* Current filter file. */
EmbPHitlist hitlist = NULL; /* Hitlist from input file (re-used). */
AjPScopalg scopalg = NULL; /* Scopalg from input file. */
ajint x = 0; /* Housekeeping. */
/* Read data from acd. */
embInitPV("seqnr",argc,argv,"DOMSEARCH",VERSION);
in = ajAcdGetDirlist("dhfinpath");
dosing = ajAcdGetToggle("dosing");
singlets = ajAcdGetDirectory("singletsdir");
dosets = ajAcdGetToggle("dosets");
insets = ajAcdGetDirectory("insetsdir");
mode = ajAcdGetListSingle("mode");
thresh = ajAcdGetFloat("thresh");
threshlow = ajAcdGetFloat("threshlow");
threshup = ajAcdGetFloat("threshup");
matrix = ajAcdGetMatrixf("matrix");
gapopen = ajAcdGetFloat("gapopen");
gapextend = ajAcdGetFloat("gapextend");
out = ajAcdGetOutdir("dhfoutdir");
dored = ajAcdGetToggle("dored");
outred = ajAcdGetOutdir("redoutdir");
logf = ajAcdGetOutfile("logfile");
/* Housekeeping. */
filtername = ajStrNew();
outname = ajStrNew();
if(!(ajStrToInt(mode, &moden)))
ajFatal("Could not parse ACD node option");
/* Process each DHF (input) in turn. */
while(ajListPop(in,(void **)&inname))
{
ajFmtPrint("Processing %S\n", inname);
ajFmtPrintF(logf, "//\n%S\n", inname);
seq_list = ajListNew();
keep = ajUintNew();
nokeep = ajUintNew();
/**********************************/
/* Open DHF file */
/**********************************/
if((inf = ajFileNewInNameS(inname)) == NULL)
ajFatal("Could not open DHF file %S", inname);
/* Read DHF file. */
ok = ajFalse;
if(!(infhits = embHitlistReadFasta(inf)))
{
ajWarn("embHitlistReadFasta call failed in seqnr");
ajFmtPrintF(logf, "embHitlistReadFasta call failed in seqnr\n");
/* Read sequence set instead. */
seqset = ajSeqsetNew();
seqin = ajSeqinNew();
ajSeqinUsa(&seqin, inname);
if(!(ajSeqsetRead(seqset, seqin)))
ajFatal("SeqsetRead failed in seqsearch_psialigned");
if(ajSeqsetGetSize(seqset))
ok = ajTrue;
}
else
if(infhits->N)
ok = ajTrue;
/* Close DHF file. */
ajFileClose(&inf);
/* Process empty DHF files (should never occur). */
if(!ok)
{
ajWarn("Empty input file %S\n", inname);
ajFmtPrintF(logf, "Empty input file %S\n", inname);
if(infhits)
embHitlistDel(&infhits);
if(seqset)
ajSeqsetDel(&seqset);
if(seqin)
ajSeqinDel(&seqin);
continue;
}
/* 1. Create list of sequences from the main input directory.. */
if(infhits)
{
for(x=0; x<infhits->N; x++)
{
AJNEW0(seq_tmp);
seq_tmp->Seq = ajSeqNew();
ajStrAssignS(&seq_tmp->Seq->Acc,infhits->hits[x]->Acc);
ajStrAssignS(&seq_tmp->Seq->Seq,infhits->hits[x]->Seq);
ajListPushAppend(seq_list,seq_tmp);
}
}
else
{
for(x=0;x<ajSeqsetGetSize(seqset);x++)
{
AJNEW0(seq_tmp);
seq_tmp->Seq = ajSeqNew();
ajStrAssignS(&seq_tmp->Seq->Acc, ajSeqsetGetseqAccS(seqset, x));
ajStrAssignS(&seq_tmp->Seq->Seq, ajSeqsetGetseqSeqS(seqset, x));
ajListPushAppend(seq_list,seq_tmp);
}
ajSeqsetDel(&seqset);
ajSeqinDel(&seqin);
}
/**********************************/
/* Open singlets filter file */
/**********************************/
if(dosing)
{
/* Open singlets file. */
ajStrAssignS(&filtername, inname);
ajFilenameTrimPathExt(&filtername);
ajStrInsertS(&filtername, 0, ajDirGetPath(singlets));
ajStrAppendC(&filtername, ".");
ajStrAppendS(&filtername, ajDirGetExt(singlets));
if((filterf = ajFileNewInNameS(filtername)) == NULL)
{
ajWarn("Could not open DHF file %S",
filtername);
ajFmtPrint("Could not open singlets filter file %S",
filtername);
}
else
{
/* Read DHF file. */
ok = ajFalse;
if(!(hitlist = embHitlistReadFasta(filterf)))
{
ajWarn("embHitlistReadFasta call failed in seqnr");
ajFmtPrintF(logf,
"embHitlistReadFasta call failed in seqnr\n");
/* Read sequence set instead. */
seqset = ajSeqsetNew();
seqin = ajSeqinNew();
ajSeqinUsa(&seqin, inname);
if(!(ajSeqsetRead(seqset, seqin)))
ajFatal("SeqsetRead failed in seqnr");
if(ajSeqsetGetSize(seqset))
ok = ajTrue;
}
else
if(hitlist->N)
ok = ajTrue;
/* Close DHF file. */
ajFileClose(&filterf);
/* Process empty DHF files (should never occur). */
if(!ok)
{
ajWarn("Empty singlets filter file %S\n", filtername);
ajFmtPrintF(logf, "Empty singlets filter file %S\n",
filtername);
/* No continue this time. */
}
/* 2. Add sequences from filter directories to List but mark
them up (they are considered in the redundancy calculation
but never appear in the output files). */
if(hitlist)
{
for(x=0; x<hitlist->N; x++)
{
AJNEW0(seq_tmp);
seq_tmp->Seq = ajSeqNew();
seq_tmp->Garbage = ajTrue;
ajStrAssignS(&seq_tmp->Seq->Acc,hitlist->hits[x]->Acc);
ajStrAssignS(&seq_tmp->Seq->Seq,hitlist->hits[x]->Seq);
ajListPushAppend(seq_list,seq_tmp);
}
embHitlistDel(&hitlist);
}
else
{
for(x=0;x<ajSeqsetGetSize(seqset);x++)
{
AJNEW0(seq_tmp);
seq_tmp->Seq = ajSeqNew();
seq_tmp->Garbage = ajTrue;
ajStrAssignS(&seq_tmp->Seq->Acc,
ajSeqsetGetseqAccS(seqset, x));
ajStrAssignS(&seq_tmp->Seq->Seq,
ajSeqsetGetseqSeqS(seqset, x));
ajListPushAppend(seq_list,seq_tmp);
}
ajSeqsetDel(&seqset);
ajSeqinDel(&seqin);
}
}
}
/**********************************/
/* Open sets filter file */
/**********************************/
if(dosets)
{
/* Open sets file. */
ajStrAssignS(&filtername, inname);
ajFilenameTrimPathExt(&filtername);
ajStrInsertS(&filtername, 0, ajDirGetPath(insets));
ajStrAppendC(&filtername, ".");
ajStrAppendS(&filtername, ajDirGetExt(insets));
if((filterf = ajFileNewInNameS(filtername)) == NULL)
{
ajWarn("Could not open DAF file %S", filtername);
ajFmtPrint("Could not open sets filter file %S", filtername);
}
else
{
/* Read DAF file. */
ok = ajFalse;
if(!(ajDmxScopalgRead(filterf, &scopalg)))
{
ajWarn("ajDmxScopalgRead call failed in seqnr");
ajFmtPrintF(logf,
"ajDmxScopalgRead call failed in seqnr\n");
/* Read sequence set instead. */
seqset = ajSeqsetNew();
seqin = ajSeqinNew();
ajSeqinUsa(&seqin, inname);
if(!(ajSeqsetRead(seqset, seqin)))
ajFatal("SeqsetRead failed in seqnr");
if(ajSeqsetGetSize(seqset))
ok = ajTrue;
}
else
if(scopalg->N)
ok = ajTrue;
/* Close DHF file. */
ajFileClose(&filterf);
/* Process empty DHF files (should never occur). */
if(!ok)
{
ajWarn("Empty sets filter file %S\n",
filtername);
ajFmtPrintF(logf, "Empty sets filter file %S\n",
filtername);
/* No continue this time. */
}
/* 2. Add sequences from filter directories to List but mark
them up (they are considered in the redundancy calculation
but never appear in the output files).. */
if(scopalg)
{
for(x=0; x<scopalg->N; x++)
{
AJNEW0(seq_tmp);
seq_tmp->Seq = ajSeqNew();
seq_tmp->Garbage = ajTrue;
ajStrAssignS(&seq_tmp->Seq->Acc,scopalg->Codes[x]);
ajStrAssignS(&seq_tmp->Seq->Seq,scopalg->Seqs[x]);
/* Remove gap char's & whitespace. */
ajStrRemoveGap(&seq_tmp->Seq->Seq);
ajListPushAppend(seq_list,seq_tmp);
}
ajDmxScopalgDel(&scopalg);
}
else
{
for(x=0;x<ajSeqsetGetSize(seqset);x++)
{
AJNEW0(seq_tmp);
seq_tmp->Seq = ajSeqNew();
seq_tmp->Garbage = ajTrue;
ajStrAssignS(&seq_tmp->Seq->Acc,
ajSeqsetGetseqAccS(seqset, x));
ajStrAssignS(&seq_tmp->Seq->Seq,
ajSeqsetGetseqSeqS(seqset, x));
ajListPushAppend(seq_list,seq_tmp);
}
ajSeqsetDel(&seqset);
ajSeqinDel(&seqin);
}
}
}
/* 4. Identify redundant domains.. */
if(moden == 1)
{
if((!embDmxSeqNR(seq_list, &keep, &nseqnr, matrix, gapopen,
gapextend, thresh, ajTrue)))
ajFatal("embDmxSeqNR failure in seqnr");
}
else
{
if((!embDmxSeqNRRange(seq_list, &keep, &nseqnr, matrix, gapopen,
gapextend, threshlow, threshup, ajTrue)))
ajFatal("embDmxSeqNR failure in seqnr");
}
seq_siz = ajListGetLength(seq_list);
for(x=0; x<seq_siz; x++)
if(ajUintGet(keep, x) == 1)
ajUintPut(&nokeep, x, 0);
else
ajUintPut(&nokeep, x, 1);
/* Create output files. */
ajStrAssignS(&outname, inname);
ajFilenameTrimPathExt(&outname);
outf = ajFileNewOutNameDirS(outname, out);
if(dored)
redf = ajFileNewOutNameDirS(outname, outred);
/* 5. Write non-redundant domains to main output directory.
6. If specified, write redundant domains to output directory. */
embHitlistWriteSubsetFasta(outf, infhits, keep);
if(dored)
embHitlistWriteSubsetFasta(redf, infhits, nokeep);
embHitlistDel(&infhits);
ajFileClose(&outf);
ajFileClose(&redf);
ajStrDel(&inname);
while(ajListPop(seq_list, (void **) &seq_tmp))
{
ajSeqDel(&seq_tmp->Seq);
AJFREE(seq_tmp);
}
ajListFree(&seq_list);
ajUintDel(&keep);
ajUintDel(&nokeep);
}
/* Tidy up. */
ajListFree(&in);
if(singlets)
ajDirDel(&singlets);
if(insets)
ajDirDel(&insets);
ajDiroutDel(&out);
if(outred)
ajDiroutDel(&outred);
ajFileClose(&logf);
ajMatrixfDel(&matrix);
ajStrDel(&filtername);
ajStrDel(&outname);
ajStrDel(&mode);
embExit();
return 0;
}
