static void remap_RenamePreferred(const AjPList list, const AjPTable table,
AjPList newlist)
{
AjIList iter = NULL;
AjPStr key = NULL;
const AjPStr value = NULL;
AjPStr name = NULL;
iter = ajListIterNewread(list);
while((key = (AjPStr)ajListIterGet(iter)))
{
/*
** If a key-value entry found, write the new value to the new list
** else write the old key name to the new list
*/
value = ajTableFetchS(table, key);
name = ajStrNew();
if(value)
{
ajDebug("Rename: %S renamed to %S\n", key, value);
ajStrAssignS(&name, value);
}
else
{
ajDebug("Rename: %S not found\n", key);
ajStrAssignS(&name, key);
}
ajListstrPushAppend(newlist, name);
}
ajListIterDel(&iter);
return;
}
static void remap_RemoveMinMax(AjPList restrictlist,
AjPTable hittable, ajint mincuts, ajint maxcuts)
{
AjIList miter; /* iterator for matches list */
EmbPMatMatch m = NULL; /* restriction enzyme match structure */
PValue value;
AjPStr key = NULL;
AjPStr keyv = NULL;
key = ajStrNew();
/* if no hits then ignore much of this routine */
if(ajListGetLength(restrictlist))
{
/* count the enzymes */
miter = ajListIterNewread(restrictlist);
while((m = ajListIterGet(miter)) != NULL)
{
ajStrAssignS(&key, m->cod);
/* increment the count of key */
value = (PValue) ajTableFetchmodS(hittable, key);
if(value == NULL)
{
AJNEW0(value);
value->count = 1;
value->iso = ajStrNew();
ajStrAssignS(&(value->iso), m->iso);
keyv = ajStrNew();
ajStrAssignS(&keyv,key);
ajTablePut(hittable, (void *)keyv, (void *)value);
}
else
value->count++;
}
ajListIterDel(&miter);
/* now remove enzymes from restrictlist if <mincuts | >maxcuts */
miter = ajListIterNew(restrictlist);
while((m = ajListIterGet(miter)) != NULL)
{
value = (PValue) ajTableFetchmodS(hittable, (m->cod));
if(value->count < mincuts || value->count > maxcuts)
{
ajListIterRemove(miter);
embMatMatchDel(&m);
}
}
ajListIterDel(&miter);
}
ajStrDel(&key);
return;
}
static void primersearch_print_hits(const AjPList primerList, AjPFile outf)
{
/* iterate through list of hits */
AjIList lIter;
ajint count = 1;
lIter = ajListIterNewread(primerList);
while(!ajListIterDone(lIter))
{
Primer primer = ajListIterGet(lIter);
AjIList hIter = ajListIterNewread(primer->hitlist);
count = 1;
ajFmtPrintF(outf, "\nPrimer name %s\n", ajStrGetPtr(primer->Name));
while(!ajListIterDone(hIter))
{
PHit hit = ajListIterGet(hIter);
ajFmtPrintF(outf, "Amplimer %d\n", count);
ajFmtPrintF(outf, "\tSequence: %s %s \n\t%s\n",
ajStrGetPtr(hit->seqname),
ajStrGetPtr(hit->acc), ajStrGetPtr(hit->desc));
ajFmtPrintF(outf, "\t%s hits forward strand at %d with %d "
"mismatches\n",
ajStrGetPtr(hit->forward), hit->forward_pos,
hit->forward_mismatch);
ajFmtPrintF(outf, "\t%s hits reverse strand at [%d] with %d "
"mismatches\n",
ajStrGetPtr(hit->reverse), (hit->reverse_pos),
(hit->reverse_mismatch));
ajFmtPrintF(outf, "\tAmplimer length: %d bp\n", hit->amplen);
count++;
}
ajListIterDel(&hIter);
}
ajListIterDel(&lIter);
return;
}
static void splitter_AddSubSeqFeat(AjPFeattable ftable, ajuint start,
ajuint end, const AjPSeq oldseq)
{
AjPFeattable old_feattable = NULL;
AjIList iter = NULL;
old_feattable = ajSeqGetFeatCopy(oldseq);
if(!old_feattable)
return;
iter = ajListIterNewread(old_feattable->Features);
while(!ajListIterDone(iter))
{
AjPFeature gf = ajListIterGet(iter);
AjPFeature copy = NULL;
if (((ajFeatGetEnd(gf) < start + 1) &&
(gf->End2 == 0 || gf->End2 < start + 1)) ||
((ajFeatGetStart(gf) > end + 1) &&
(gf->Start2 == 0 || gf->Start2 > end + 1)))
{
continue;
}
copy = ajFeatNewFeat(gf);
copy->Start = copy->Start - start;
copy->End = copy->End - start;
if (copy->Start2 > 0)
copy->Start2 = copy->Start2 - start;
if (copy->End2 > 0)
copy->End2 = copy->End2 - start;
ajFeatTrimOffRange (copy, 0, 1, end - start + 1, AJTRUE, AJTRUE);
ajFeattableAdd(ftable, copy);
}
ajFeattableDel(&old_feattable);
ajListIterDel(&iter);
return;
}
static void primersearch_clean_hitlist(AjPList* hlist)
{
AjIList lIter;
lIter = ajListIterNewread(*hlist);
while(!ajListIterDone(lIter))
{
EmbPMatMatch fm = ajListIterGet(lIter);
embMatMatchDel(&fm);
}
ajListFree(hlist);
ajListFree(hlist);
ajListIterDel(&lIter);
return;
}
static void supermatcher_matchListOrder(void **x,void *cl)
{
EmbPWordMatch p;
AjPList ordered;
ajint offset;
AjIList listIter;
concat *con;
concat *c=NULL;
p = (EmbPWordMatch)*x;
ordered = (AjPList) cl;
offset = (*p).seq1start-(*p).seq2start;
/* iterate through ordered list to find if it exists already*/
listIter = ajListIterNewread(ordered);
while(!ajListIterDone( listIter))
{
con = ajListIterGet(listIter);
if(con->offset == offset)
{
/* found so add count and set offset to the new value */
con->offset = offset;
con->total+= (*p).length;
con->count++;
ajListPushAppend(con->list,p);
ajListIterDel(&listIter);
return;
}
}
ajListIterDel(&listIter);
/* not found so add it */
AJNEW(c);
c->offset = offset;
c->total = (*p).length;
c->count = 1;
c->list = ajListNew();
ajListPushAppend(c->list,p);
ajListPushAppend(ordered, c);
return;
}
static void primersearch_primer_search(const AjPList primerList,
const AjPSeq seq)
{
AjIList listIter;
/* test each list node against this sequence */
listIter = ajListIterNewread(primerList);
while(!ajListIterDone(listIter))
{
Primer curr_primer = ajListIterGet(listIter);
primersearch_scan_seq(curr_primer, seq, AJFALSE);
primersearch_scan_seq(curr_primer, seq, AJTRUE);
}
ajListIterDel(&listIter);
return;
}
AjBool ajRestermlistClone(const AjPList src, AjPList dest)
{
AjIList iter;
AjPResterm termout = NULL;
AjPResterm termin = NULL;
if(ajListGetLength(dest))
return ajFalse;
iter = ajListIterNewread(src);
while ((termin = (AjPResterm) ajListIterGet(iter)))
{
termout = ajRestermNewResterm(termin);
ajListPushAppend(dest, termout);
}
ajListIterDel(&iter);
return ajTrue;
}
AjBool ajResquerylistClone(const AjPList src, AjPList dest)
{
AjIList iter;
AjPResquery qryout = NULL;
AjPResquery qryin = NULL;
if(ajListGetLength(dest))
return ajFalse;
iter = ajListIterNewread(src);
while ((qryin = (AjPResquery) ajListIterGet(iter)))
{
qryout = ajResqueryNewResquery(qryin);
ajListPushAppend(dest, qryout);
}
ajListIterDel(&iter);
return ajTrue;
}
static void primersearch_free_primer(void **x, void *cl)
{
Primer* p;
Primer primdata;
AjIList lIter;
(void) cl; /* make it used */
p = (Primer*) x;
primdata = *p;
primersearch_free_pguts(&primdata->forward);
primersearch_free_pguts(&primdata->reverse);
ajStrDel(&primdata->Name);
/* clean up hitlist */
lIter = ajListIterNewread(primdata->hitlist);
while(!ajListIterDone(lIter))
{
PHit phit = ajListIterGet(lIter);
ajStrDel(&phit->forward);
ajStrDel(&phit->reverse);
ajStrDel(&phit->seqname);
ajStrDel(&phit->acc);
ajStrDel(&phit->desc);
AJFREE(phit);
}
ajListFree(&primdata->hitlist);
ajListFree(&primdata->hitlist);
ajListIterDel(&lIter);
AJFREE(primdata);
return;
}
int main(int argc, char **argv)
{
AjPList list = NULL;
AjPSeq seq;
AjPSeq seq2;
AjPStr aa0str = 0;
AjPStr aa1str = 0;
const char *s1;
const char *s2;
char *strret = NULL;
ajuint i;
ajuint j;
ajuint k;
ajint l;
ajint abovethresh;
ajint total;
ajint starti = 0;
ajint startj = 0;
ajint windowsize;
float thresh;
AjPGraph graph = NULL;
AjPGraph xygraph = NULL;
float flen1;
float flen2;
ajuint len1;
ajuint len2;
AjPTime ajtime = NULL;
time_t tim;
AjBool boxit=AJTRUE;
/* Different ticks as they need to be different for x and y due to
length of string being important on x */
ajuint acceptableticksx[]=
{
1,10,50,100,500,1000,1500,10000,
500000,1000000,5000000
};
ajuint acceptableticks[]=
{
1,10,50,100,200,500,1000,2000,5000,10000,15000,
500000,1000000,5000000
};
ajint numbofticks = 10;
float xmargin;
float ymargin;
float ticklen;
float tickgap;
float onefifth;
float k2;
float max;
char ptr[10];
AjPMatrix matrix = NULL;
ajint** sub;
AjPSeqCvt cvt;
AjPStr subt = NULL;
ajint b1;
ajint b2;
ajint e1;
ajint e2;
AjPStr se1;
AjPStr se2;
ajint ithresh;
AjBool stretch;
PPoint ppt = NULL;
float xa[1];
float ya[1];
AjPGraphdata gdata=NULL;
AjPStr tit = NULL;
AjIList iter = NULL;
float x1 = 0.;
float x2 = 0.;
float y1 = 0.;
float y2 = 0.;
ajuint tui;
se1 = ajStrNew();
se2 = ajStrNew();
embInit("dotmatcher", argc, argv);
seq = ajAcdGetSeq("asequence");
seq2 = ajAcdGetSeq("bsequence");
stretch = ajAcdGetToggle("stretch");
graph = ajAcdGetGraph("graph");
xygraph = ajAcdGetGraphxy("xygraph");
windowsize = ajAcdGetInt("windowsize");
ithresh = ajAcdGetInt("threshold");
matrix = ajAcdGetMatrix("matrixfile");
sub = ajMatrixGetMatrix(matrix);
cvt = ajMatrixGetCvt(matrix);
thresh = (float)ithresh;
ajtime = ajTimeNew();
tim = time(0);
ajTimeSetLocal(ajtime, tim);
b1 = ajSeqGetBegin(seq);
b2 = ajSeqGetBegin(seq2);
e1 = ajSeqGetEnd(seq);
e2 = ajSeqGetEnd(seq2);
len1 = ajSeqGetLen(seq);
len2 = ajSeqGetLen(seq2);
tui = ajSeqGetLen(seq);
flen1 = (float) tui;
tui = ajSeqGetLen(seq2);
flen2 = (float) tui;
ajStrAssignSubC(&se1,ajSeqGetSeqC(seq),b1-1,e1-1);
ajStrAssignSubC(&se2,ajSeqGetSeqC(seq2),b2-1,e2-1);
ajSeqAssignSeqS(seq,se1);
ajSeqAssignSeqS(seq2,se2);
s1 = ajStrGetPtr(ajSeqGetSeqS(seq));
s2 = ajStrGetPtr(ajSeqGetSeqS(seq2));
aa0str = ajStrNewRes(1+len1); /* length plus trailing blank */
aa1str = ajStrNewRes(1+len2);
list = ajListNew();
for(i=0;i<len1;i++)
ajStrAppendK(&aa0str,(char)ajSeqcvtGetCodeK(cvt, *s1++));
for(i=0;i<len2;i++)
ajStrAppendK(&aa1str,(char)ajSeqcvtGetCodeK(cvt, *s2++));
max = (float)len1;
if(len2 > max)
max = (float) len2;
xmargin = ymargin = max *(float)0.15;
ticklen = xmargin*(float)0.1;
onefifth = xmargin*(float)0.2;
subt = ajStrNewC((strret=
ajFmtString("(windowsize = %d, threshold = %3.2f %D)",
windowsize,thresh,ajtime)));
if(!stretch)
{
if( ajStrGetLen(ajGraphGetSubtitleS(graph)) <=1)
ajGraphSetSubtitleS(graph,subt);
ajGraphOpenWin(graph, (float)0.0-ymargin,(max*(float)1.35)+ymargin,
(float)0.0-xmargin,(float)max+xmargin);
ajGraphicsDrawposTextAtmid(flen1*(float)0.5,
(float)0.0-(xmargin/(float)2.0),
ajGraphGetXlabelC(graph));
ajGraphicsDrawposTextAtlineJustify((float)0.0-(xmargin*(float)0.75),
flen2*(float)0.5,
(float)0.0-(xmargin*(float)0.75),flen1,
ajGraphGetYlabelC(graph),0.5);
ajGraphicsSetCharscale(0.5);
}
s1= ajStrGetPtr(aa0str);
s2 = ajStrGetPtr(aa1str);
for(j=0; (ajint)j < (ajint)len2-windowsize;j++)
{
i =0;
total = 0;
abovethresh =0;
k = j;
for(l=0;l<windowsize;l++)
total = total + sub[(ajint)s1[i++]][(ajint)s2[k++]];
if(total >= thresh)
{
abovethresh=1;
starti = i-windowsize;
startj = k-windowsize;
}
while(i < len1 && k < len2)
{
total = total - sub[(ajint)s1[i-windowsize]]
[(ajint)s2[k-windowsize]];
total = total + sub[(ajint)s1[i]][(ajint)s2[k]];
if(abovethresh)
{
if(total < thresh)
{
abovethresh = 0;
/* draw the line */
dotmatcher_pushpoint(&list,(float)starti,(float)startj,
(float)i-1,(float)k-1,stretch);
}
}
else if(total >= thresh)
{
starti = i-windowsize;
startj = k-windowsize;
abovethresh= 1;
}
i++;
k++;
}
if(abovethresh)
/* draw the line */
dotmatcher_pushpoint(&list,(float)starti,(float)startj,
(float)i-1,(float)k-1,
stretch);
}
for(i=0; (ajint)i < (ajint)len1-windowsize;i++)
{
j = 0;
total = 0;
abovethresh =0;
k = i;
for(l=0;l<windowsize;l++)
total = total + sub[(ajint)s1[k++]][(ajint)s2[j++]];
if(total >= thresh)
{
abovethresh=1;
starti = k-windowsize;
startj = j-windowsize;
}
while(k < len1 && j < len2)
{
total = total - sub[(ajint)s1[k-windowsize]]
[(ajint)s2[j-windowsize]];
total = total + sub[(ajint)s1[k]][(ajint)s2[j]];
if(abovethresh)
{
if(total < thresh)
{
abovethresh = 0;
/* draw the line */
dotmatcher_pushpoint(&list,(float)starti,(float)startj,
(float)k-1,(float)j-1,stretch);
}
}
else if(total >= thresh)
{
starti = k-windowsize;
startj = j-windowsize;
abovethresh= 1;
}
j++;
k++;
}
if(abovethresh)
/* draw the line */
dotmatcher_pushpoint(&list,(float)starti,(float)startj,
(float)k-1,(float)j-1,
stretch);
}
if(boxit && !stretch)
{
ajGraphicsDrawposRect(0.0,0.0,flen1, flen2);
i=0;
while(acceptableticksx[i]*numbofticks < len1)
i++;
if(i<=13)
tickgap = (float)acceptableticksx[i];
else
tickgap = (float)acceptableticksx[10];
ticklen = xmargin*(float)0.1;
onefifth = xmargin*(float)0.2;
if(len2/len1 > 10 )
{
/* if a lot smaller then just label start and end */
ajGraphicsDrawposLine((float)0.0,(float)0.0,(float)0.0,(float)0.0-ticklen);
sprintf(ptr,"%d",b1-1);
ajGraphicsDrawposTextAtmid((float)0.0,(float)0.0-(onefifth),ptr);
ajGraphicsDrawposLine(flen1,(float)0.0,
flen1,(float)0.0-ticklen);
sprintf(ptr,"%d",len1+b1-1);
ajGraphicsDrawposTextAtmid(flen1,(float)0.0-(onefifth),ptr);
}
else
for(k2=0.0;k2<len1;k2+=tickgap)
{
ajGraphicsDrawposLine(k2,(float)0.0,k2,(float)0.0-ticklen);
sprintf(ptr,"%d",(ajint)k2+b1-1);
ajGraphicsDrawposTextAtmid(k2,(float)0.0-(onefifth),ptr);
}
i = 0;
while(acceptableticks[i]*numbofticks < len2)
i++;
tickgap = (float)acceptableticks[i];
ticklen = ymargin*(float)0.01;
onefifth = ymargin*(float)0.02;
if(len1/len2 > 10 )
{
/* if a lot smaller then just label start and end */
ajGraphicsDrawposLine((float)0.0,(float)0.0,(float)0.0-ticklen,(float)0.0);
sprintf(ptr,"%d",b2-1);
ajGraphicsDrawposTextAtend((float)0.0-(onefifth),(float)0.0,ptr);
ajGraphicsDrawposLine((float)0.0,flen2,(float)0.0-ticklen,
flen2);
sprintf(ptr,"%d",len2+b2-1);
ajGraphicsDrawposTextAtend((float)0.0-(onefifth),flen2,ptr);
}
else
for(k2=0.0;k2<len2;k2+=tickgap)
{
ajGraphicsDrawposLine((float)0.0,k2,(float)0.0-ticklen,k2);
sprintf(ptr,"%d",(ajint)k2+b2-1);
ajGraphicsDrawposTextAtend((float)0.0-(onefifth),k2,ptr);
}
}
if(!stretch)
ajGraphicsClose();
else /* the xy graph for -stretch */
{
tit = ajStrNew();
ajFmtPrintS(&tit,"%S",ajGraphGetTitleS(xygraph));
gdata = ajGraphdataNewI(1);
xa[0] = (float)b1;
ya[0] = (float)b2;
ajGraphSetTitleC(xygraph,ajStrGetPtr(tit));
ajGraphSetXlabelC(xygraph,ajSeqGetNameC(seq));
ajGraphSetYlabelC(xygraph,ajSeqGetNameC(seq2));
ajGraphdataSetTypeC(gdata,"2D Plot Float");
ajGraphdataSetTitleS(gdata,subt);
ajGraphdataSetMinmax(gdata,(float)b1,(float)e1,(float)b2,
(float)e2);
ajGraphdataSetTruescale(gdata,(float)b1,(float)e1,(float)b2,
(float)e2);
ajGraphxySetXstartF(xygraph,(float)b1);
ajGraphxySetXendF(xygraph,(float)e1);
ajGraphxySetYstartF(xygraph,(float)b2);
ajGraphxySetYendF(xygraph,(float)e2);
ajGraphxySetXrangeII(xygraph,b1,e1);
ajGraphxySetYrangeII(xygraph,b2,e2);
if(list)
{
iter = ajListIterNewread(list);
while((ppt = ajListIterGet(iter)))
{
x1 = ppt->x1+b1-1;
y1 = ppt->y1+b2-1;
x2 = ppt->x2+b1-1;
y2 = ppt->y2+b2-1;
ajGraphAddLine(xygraph,x1,y1,x2,y2,0);
AJFREE(ppt);
}
ajListIterDel(&iter);
}
ajGraphdataAddXY(gdata,xa,ya);
ajGraphDataReplace(xygraph,gdata);
ajGraphxyDisplay(xygraph,ajFalse);
ajGraphicsClose();
ajStrDel(&tit);
}
ajListFree(&list);
ajSeqDel(&seq);
ajSeqDel(&seq2);
ajGraphxyDel(&graph);
ajGraphxyDel(&xygraph);
ajMatrixDel(&matrix);
ajTimeDel(&ajtime);
/* deallocate memory */
ajStrDel(&aa0str);
ajStrDel(&aa1str);
ajStrDel(&se1);
ajStrDel(&se2);
ajStrDel(&subt);
AJFREE(strret); /* created withing ajFmtString */
embExit();
return 0;
}
static void extractfeat_FeatSeqExtract(const AjPSeq seq, AjPSeqout seqout,
AjPFeattable featab, ajint before,
ajint after, AjBool join,
AjBool featinname,
const AjPStr describe)
{
AjIList iter = NULL;
AjPFeature gf = NULL;
AjBool single; /* ajtrue = is not a multiple */
AjBool parent; /* ajtrue = is a parent of a multiple */
AjBool child; /* ajTrue = is a child of a multiple */
AjBool compall; /* ajTrue = reverse comp all of join */
AjBool sense; /* ajTrue = forward sense */
AjBool remote; /* ajTrue = remote ID */
AjPStr type = NULL; /* name of feature */
AjPStr featseq = NULL; /* feature sequence string */
AjPStr tmpseq = NULL; /* temporary sequence string */
ajint firstpos;
ajint lastpos; /* bounds of feature in sequence */
AjPStr describeout = NULL; /* tag names/values to add to descriptions */
ajuint count = 0;
/* For all features... */
if(featab && ajFeattableGetSize(featab))
{
/* initialise details of a feature */
featseq = ajStrNew();
tmpseq = ajStrNew();
type = ajStrNew();
remote = ajFalse;
compall = ajFalse;
sense = ajTrue;
firstpos = 0;
lastpos = 0;
describeout = ajStrNew();
iter = ajListIterNewread(featab->Features);
while(!ajListIterDone(iter))
{
gf = ajListIterGet(iter) ;
/*
** Determine what sort of thing this feature is. Only one of
** these will be true.
** True if this is part of a multiple join and it is not
** the parent
*/
child = ajFalse;
/* True if this is part of a multiple join and it is the parent */
parent = ajFalse;
/* True if this is not part of a multiple join */
single = ajFalse;
if(ajFeatIsMultiple(gf))
{
if(ajFeatIsChild(gf))
child = ajTrue;
else
parent = ajTrue;
}
else
single = ajTrue;
/*
** If not wish to assembling joins(), then force all features
** to be treated as single
*/
if(!join)
{
child = ajFalse;
parent = ajFalse;
single = ajTrue;
}
ajDebug("feature %S %d-%d is parent %B, child %B, single %B\n",
ajFeatGetType(gf), ajFeatGetStart(gf), ajFeatGetEnd(gf),
parent, child, single);
/*
ajUser("feature %S %d-%d is parent %B, child %B, single %B",
ajFeatGetType(gf), ajFeatGetStart(gf), ajFeatGetEnd(gf),
parent, child, single);
*/
/*
** If single or parent, write out any stored previous feature
** sequence
*/
if(count++ && !child)
{
extractfeat_WriteOut(seqout, &featseq, compall, sense,
firstpos, lastpos, before, after, seq,
remote, type,
featinname, describeout);
/* reset joined feature information */
ajStrSetClear(&featseq);
ajStrSetClear(&tmpseq);
ajStrSetClear(&type);
ajStrSetClear(&describeout);
remote = ajFalse;
compall = ajFalse;
sense = ajTrue;
firstpos = 0;
lastpos = 0;
}
/* if parent, note if have Complemented Join */
if(parent)
compall = ajFeatIsCompMult(gf);
/*
** Get the sense of the feature
** NB. if complementing several joined features, then pretend they
** are forward sense until its possible to reverse-complement
** them all together.
*/
if(!compall && ajFeatGetStrand(gf) == '-')
sense = ajFalse;
/* get 'type' name of feature */
if(single || parent)
ajStrAssignS(&type, ajFeatGetType(gf));
/*
** if single or parent, get 'before' + 'after' sequence
** positions
*/
if(single || parent)
{
firstpos = ajFeatGetStart(gf)-1;
lastpos = ajFeatGetEnd(gf)-1;
}
/* if child, update the boundary positions */
if(child)
{
if(sense)
lastpos = ajFeatGetEnd(gf)-1;
else
firstpos = ajFeatGetStart(gf)-1;
}
extractfeat_MatchPatternDescribe(gf, describe, &describeout);
/* get feature sequence(complement if required) */
if(!child)
{
if(join)
ajFeatGetSeqJoin(gf, featab, seq, &tmpseq);
else
ajFeatGetSeq(gf, seq, &tmpseq);
ajDebug("extracted feature = %d bases\n", ajStrGetLen(tmpseq));
/*ajUser("extracted feature = %d bases", ajStrGetLen(tmpseq));*/
ajStrAssignS(&featseq, tmpseq);
}
}
ajListIterDel(&iter) ;
/*
** write out any previous sequence(s)
** - add before + after, complement all
*/
extractfeat_WriteOut(seqout, &featseq, compall, sense,
firstpos, lastpos, before, after,
seq, remote, type,
featinname, describeout);
ajStrDel(&featseq);
ajStrDel(&tmpseq);
ajStrDel(&type);
ajStrDel(&describeout);
}
return;
}
static AjBool assemoutWriteNextBam(AjPOutfile outfile, const AjPAssem assem)
{
AjPFile outf = ajOutfileGetFile(outfile);
AjPSeqBamHeader header = NULL;
AjPAssemContig c = NULL;
AjPSeqBam bam;
AjPAssemRead r = NULL;
AjPAssemContig* contigs = NULL;
AjPAssemTag t = NULL;
AjIList j = NULL;
AjPSeqBamBgzf gzfile = NULL;
AjPStr headertext=NULL;
const AjPStr rgheadertext=NULL;
AjBool ret = ajTrue;
ajint i=0;
ajulong ncontigs=0UL;
if(!outf) return ajFalse;
if(!assem) return ajFalse;
if(!assem->Hasdata)
{
if(ajListGetLength(assem->ContigsOrder))
ncontigs = ajListToarray(assem->ContigsOrder, (void***)&contigs);
else
ncontigs = ajTableToarrayValues(assem->Contigs, (void***)&contigs);
ajFmtPrintS(&headertext, "@HD\tVN:1.3\tSO:%s\n",
ajAssemGetSortorderC(assem));
header = ajSeqBamHeaderNewN((ajuint) ncontigs);
gzfile = ajSeqBamBgzfNew(ajFileGetFileptr(outf), "w");
outfile->OutData = gzfile;
while (contigs[i]) /* contigs */
{
c = contigs[i];
if(ajStrMatchC(c->Name, "*"))
{
i++;
continue;
}
header->target_name[i] = strdup(ajStrGetPtr(c->Name));
header->target_len[i++] = c->Length;
ajFmtPrintAppS(&headertext, "@SQ\tSN:%S\tLN:%d",
c->Name, c->Length);
if(c->URI)
ajFmtPrintAppS(&headertext, "\tUR:%S", c->URI);
if(c->MD5)
ajFmtPrintAppS(&headertext, "\tM5:%S", c->MD5);
if(c->Species)
ajFmtPrintAppS(&headertext, "\tSP:%S", c->Species);
ajFmtPrintAppS(&headertext, "\n");
j = ajListIterNewread(c->Tags);
while (!ajListIterDone(j))
{
t = ajListIterGet(j);
ajFmtPrintAppS(&headertext,
"@CO\t%S %u %u %S\n", t->Name, t->x1, t->y1,
t->Comment);
}
ajListIterDel(&j);
}
rgheadertext = assemSAMGetReadgroupHeaderlines(assem);
if(rgheadertext)
ajStrAppendS(&headertext, rgheadertext);
ajSeqBamHeaderSetTextC(header, ajStrGetPtr(headertext));
ajSeqBamHeaderWrite(gzfile, header);
ajSeqBamHeaderDel(&header);
ajStrDel(&headertext);
AJFREE(contigs);
if(!assem->BamHeader)
return ajTrue;
}
/* data */
gzfile = outfile->OutData;
AJNEW0(bam);
bam->m_data=10;
AJCNEW0(bam->data, bam->m_data);
j = ajListIterNewread(assem->Reads);
while (!ajListIterDone(j)) /* reads */
{
r = ajListIterGet(j);
assemoutWriteBamAlignment(gzfile, r, bam);
}
ajListIterDel(&j);
AJFREE(bam->data);
AJFREE(bam);
/* ajSeqBamBgzfClose(gzfile);*/
return ret;
}
void ajResourceTrace(const AjPResource thys)
{
AjIList iter;
AjPStr tmpstr;
ajuint i;
AjPReslink reslink = NULL;
AjPResquery resqry = NULL;
AjPResterm resterm = NULL;
if(!thys)
{
ajDebug("ajResourceTrace NULL\n");
return;
}
ajDebug("\najResourceTrace\n");
ajDebug(" Id: %S\n", thys->Id);
ajDebug(" Acc: %S\n", thys->Acc);
ajDebug(" Name: %S\n", thys->Name);
ajDebug(" Desc: %S\n", thys->Desc);
ajDebug(" Url: %S\n", thys->Url);
ajDebug(" Idalt: %Lu\n", ajListGetLength(thys->Idalt));
if(ajListGetLength(thys->Idalt))
{
i=0;
iter = ajListIterNewread(thys->Idalt);
while(!ajListIterDone(iter))
{
tmpstr = ajListIterGet(iter);
ajDebug("%15d: %S\n", ++i, tmpstr);
}
ajListIterDel(&iter);
}
ajDebug(" Cat: %Lu\n", ajListGetLength(thys->Cat));
if(ajListGetLength(thys->Cat))
{
i = 0;
iter = ajListIterNewread(thys->Cat);
while(!ajListIterDone(iter))
{
tmpstr = ajListIterGet(iter);
ajDebug("%15d: %S\n", ++i, tmpstr);
}
ajListIterDel(&iter);
}
ajDebug(" Taxon: %Lu\n", ajListGetLength(thys->Taxon));
if(ajListGetLength(thys->Taxon))
{
i = 0;
iter = ajListIterNewread(thys->Taxon);
while(!ajListIterDone(iter))
{
resterm = ajListIterGet(iter);
ajDebug("%15d: %S | %S\n", ++i, resterm->Id, resterm->Name);
}
ajListIterDel(&iter);
}
ajDebug(" Edamtpc: %Lu\n", ajListGetLength(thys->Edamtpc));
if(ajListGetLength(thys->Edamtpc))
{
i = 0;
iter = ajListIterNewread(thys->Edamtpc);
while(!ajListIterDone(iter))
{
resterm = ajListIterGet(iter);
ajDebug("%15d: %S | %S\n", ++i, resterm->Id, resterm->Name);
}
ajListIterDel(&iter);
}
ajDebug(" Edamdat: %Lu\n", ajListGetLength(thys->Edamdat));
if(ajListGetLength(thys->Edamdat))
{
i = 0;
iter = ajListIterNewread(thys->Edamdat);
while(!ajListIterDone(iter))
{
resterm = ajListIterGet(iter);
ajDebug("%15d: %S | %S\n", ++i, resterm->Id, resterm->Name);
}
ajListIterDel(&iter);
}
ajDebug(" Edamid: %Lu\n", ajListGetLength(thys->Edamid));
if(ajListGetLength(thys->Edamid))
{
i = 0;
iter = ajListIterNewread(thys->Edamid);
while(!ajListIterDone(iter))
{
resterm = ajListIterGet(iter);
ajDebug("%15d: %S | %S\n", ++i, resterm->Id, resterm->Name);
}
ajListIterDel(&iter);
}
ajDebug(" Edamfmt: %Lu\n", ajListGetLength(thys->Edamfmt));
if(ajListGetLength(thys->Edamfmt))
{
i = 0;
iter = ajListIterNewread(thys->Edamfmt);
while(!ajListIterDone(iter))
{
resterm = ajListIterGet(iter);
ajDebug("%15d: %S | %S\n", ++i, resterm->Id, resterm->Name);
}
ajListIterDel(&iter);
}
ajDebug(" Xref: %Lu\n", ajListGetLength(thys->Xref));
if(ajListGetLength(thys->Xref))
{
i = 0;
iter = ajListIterNewread(thys->Xref);
while(!ajListIterDone(iter))
{
reslink = ajListIterGet(iter);
ajDebug("%15d: %S | %S\n", ++i, reslink->Source, reslink->Term);
}
ajListIterDel(&iter);
}
ajDebug(" Query: %Lu\n", ajListGetLength(thys->Query));
if(ajListGetLength(thys->Query))
{
i = 0;
iter = ajListIterNewread(thys->Query);
while(!ajListIterDone(iter))
{
resqry = ajListIterGet(iter);
ajDebug("%15d: %S | %S | %S | %S\n",
++i, resqry->Datatype, resqry->Format,
resqry->Term, resqry->Url);
}
ajListIterDel(&iter);
}
ajDebug(" Example: %Lu\n", ajListGetLength(thys->Example));
if(ajListGetLength(thys->Example))
{
i = 0;
iter = ajListIterNewread(thys->Example);
while(!ajListIterDone(iter))
{
tmpstr = ajListIterGet(iter);
ajDebug("%15d: %S\n", ++i, tmpstr);
}
ajListIterDel(&iter);
}
return;
}
static AjBool assemoutWriteNextSam(AjPOutfile outfile, const AjPAssem assem)
{
AjPFile outf = ajOutfileGetFile(outfile);
AjPAssemContig c = NULL;
AjPAssemRead r = NULL;
AjPAssemTag t = NULL;
AjPAssemContig* contigs = NULL;
AjIList j = NULL;
AjPStr argstr = NULL;
const AjPStr headertext = NULL;
ajint n = 0;
ajulong i = 0UL;
AjBool ret = ajTrue;
if(!outf || !assem)
return ajFalse;
ajDebug("assemoutWriteSam: # of contigs = %d\n", n);
if(!assem->Hasdata)
{
ajFmtPrintF(outf, "@HD\tVN:1.3\tSO:%s\n", ajAssemGetSortorderC(assem));
/* Program record */
argstr = ajStrNewS(ajUtilGetCmdline());
ajStrExchangeKK(&argstr, '\n', ' ');
ajFmtPrintF(outf, "@PG\tID:%S\tVN:%S\tCL:%S\n",
ajUtilGetProgram(), ajNamValueVersion(), argstr);
ajStrDel(&argstr);
if(ajListGetLength(assem->ContigsOrder))
ajListToarray(assem->ContigsOrder, (void***)&contigs);
else
ajTableToarrayValues(assem->Contigs, (void***)&contigs);
while (contigs[i]) /* contigs */
{
c = contigs[i++];
if(!ajStrMatchC(c->Name, "*"))
{
ajFmtPrintF(outf, "@SQ\tSN:%S\tLN:%d", c->Name, c->Length);
if(c->URI)
ajFmtPrintF(outf, "\tUR:%S", c->URI);
if(c->MD5)
ajFmtPrintF(outf, "\tM5:%S", c->MD5);
if(c->Species)
ajFmtPrintF(outf, "\tSP:%S", c->Species);
ajFmtPrintF(outf, "\n");
j = ajListIterNewread(c->Tags);
while (!ajListIterDone(j))
{
t = ajListIterGet(j);
ajFmtPrintF(outf, "@CO\t%S %u %u %S\n",
t->Name, t->x1, t->y1,
t->Comment);
}
ajListIterDel(&j);
}
}
headertext = assemSAMGetReadgroupHeaderlines(assem);
if(headertext)
ajFmtPrintF(outf,"%S", headertext);
AJFREE(contigs);
if(!assem->BamHeader)
return ajTrue;
}
/* data */
j = ajListIterNewread(assem->Reads);
if(ajListGetLength(assem->ContigsOrder))
i = ajListToarray(assem->ContigsOrder, (void***)&contigs);
else
i = ajTableToarrayValues(assem->Contigs, (void***)&contigs);
while (!ajListIterDone(j)) /* reads */
{
r = ajListIterGet(j);
assemoutWriteSamAlignment(outf, r, contigs, (ajuint) i);
}
ajListIterDel(&j);
AJFREE(contigs);
return ret;
}
static AjBool assemoutWriteNextMaf(AjPOutfile outfile, const AjPAssem assem)
{
AjPFile outf = ajOutfileGetFile(outfile);
AjPAssemContig c = NULL;
AjPAssemRead r = NULL;
AjPAssemTag t = NULL;
ajint i = 0;
ajint nreads = 0;
AjIList j = NULL;
AjIList k = NULL;
AjIList reads = NULL;
AjPAssemContig* contigs = NULL;
if(!outf) return ajFalse;
if(!assem) return ajFalse;
if(!assem->Hasdata)
{
ajTableToarrayValues(assem->Contigs, (void***)&contigs);
for (;contigs[i];i++)
{
c = contigs[i];
ajFmtPrintF(outf, "CO\t%S\n", c->Name);
ajFmtPrintF(outf, "NR\t%d\n", c->Nreads);
ajFmtPrintF(outf, "LC\t%d\n", c->Length);
j = ajListIterNewread(c->Tags);
while (!ajListIterDone(j))
{
t = ajListIterGet(j);
ajFmtPrintF(outf, "CT\t%S %u %u %S\n", t->Name, t->x1, t->y1,
t->Comment);
}
ajListIterDel(&j);
ajFmtPrintF(outf, "CS\t%S\n", c->Consensus);
ajFmtPrintF(outf, "CQ\t%S\n", c->ConsensusQ);
ajFmtPrintF(outf, "\\\\\n");
}
AJFREE(contigs);
return ajTrue;
}
/* data */
reads = ajListIterNewread(assem->Reads);
while (!ajListIterDone(reads))
{
nreads++;
r = ajListIterGet(reads);
if(r->Reference !=i)
ajErr("different reference/contig number(%d) than expected(%d)"
"\nreads were expected to be sorted by contigs");
ajFmtPrintF(outf, "RD\t%S\n", r->Name);
ajFmtPrintF(outf, "RS\t%S\n", r->Seq);
ajFmtPrintF(outf, "RQ\t%S\n", r->SeqQ);
ajFmtPrintF(outf, "TN\t%S\n", r->Template);
if(r->Direction)
ajFmtPrintF(outf, "DI\t%c\n", r->Direction);
if(r->TemplateSizeMin)
ajFmtPrintF(outf, "TF\t%d\n", r->TemplateSizeMin);
if(r->TemplateSizeMax)
ajFmtPrintF(outf, "TT\t%d\n", r->TemplateSizeMax);
if(r->File)
ajFmtPrintF(outf, "SF\t%S\n", r->File);
if(r->VectorLeft)
ajFmtPrintF(outf, "SL\t%d\n", r->VectorLeft);
if(r->VectorRight)
ajFmtPrintF(outf, "SR\t%d\n", r->VectorRight);
if(r->QualLeft)
ajFmtPrintF(outf, "QL\t%d\n", r->QualLeft);
if(r->QualRight)
ajFmtPrintF(outf, "QR\t%d\n", r->QualRight);
if(r->ClipLeft)
ajFmtPrintF(outf, "SL\t%d\n", r->ClipLeft);
if(r->ClipRight)
ajFmtPrintF(outf, "SR\t%d\n", r->ClipRight);
k = ajListIterNewread(r->Tags);
while (!ajListIterDone(k))
{
t = ajListIterGet(k);
ajFmtPrintF(outf, "RT\t%S %u %u\n", t->Name,
t->x1, t->y1);
}
ajListIterDel(&k);
ajFmtPrintF(outf, "ST\t%S\n", r->Technology);
ajFmtPrintF(outf, "ER\n");
ajFmtPrintF(outf, "AT\t%u %u %u %u\n", r->x1, r->y1, r->x2, r->y2);
}
ajListIterDel(&j);
ajListIterDel(&reads);
if(!nreads)
{
ajFmtPrintF(outf, "//\n");
ajFmtPrintF(outf, "EC\n");
}
return ajTrue;
}
static AjBool assemoutWriteBamAlignment(AjPSeqBamBgzf gzfile,
const AjPAssemRead r,
AjPSeqBam bam)
{
AjPSeqBamCore c;
AjPAssemTag tag;
unsigned char *dpos;
const char *s;
ajuint ilen;
ajuint slen;
ajuint i;
AjIList l = NULL;
/* optional fields */
ajint tagvalsize = 0;
const unsigned char* tagval = 0;
ajint intval =0;
/* processing cigar strings*/
char *t;
int op;
long x;
unsigned char bam_nt16_table[256] =
{
15,15,15,15, 15,15,15,15, 15,15,15,15, 15,15,15,15,
15,15,15,15, 15,15,15,15, 15,15,15,15, 15,15,15,15,
15,15,15,15, 15,15,15,15, 15,15,15,15, 15,15,15,15,
1, 2, 4, 8, 15,15,15,15, 15,15,15,15, 15, 0 /*=*/,15,15,
15, 1,14, 2, 13,15,15, 4, 11,15,15,12, 15, 3,15,15,
15,15, 5, 6, 8,15, 7, 9, 15,10,15,15, 15,15,15,15,
15, 1,14, 2, 13,15,15, 4, 11,15,15,12, 15, 3,15,15,
15,15, 5, 6, 8,15, 7, 9, 15,10,15,15, 15,15,15,15,
15,15,15,15, 15,15,15,15, 15,15,15,15, 15,15,15,15,
15,15,15,15, 15,15,15,15, 15,15,15,15, 15,15,15,15,
15,15,15,15, 15,15,15,15, 15,15,15,15, 15,15,15,15,
15,15,15,15, 15,15,15,15, 15,15,15,15, 15,15,15,15,
15,15,15,15, 15,15,15,15, 15,15,15,15, 15,15,15,15,
15,15,15,15, 15,15,15,15, 15,15,15,15, 15,15,15,15,
15,15,15,15, 15,15,15,15, 15,15,15,15, 15,15,15,15,
15,15,15,15, 15,15,15,15, 15,15,15,15, 15,15,15,15
};
/* bam_write1 for each alignment */
c = &bam->core;
ilen = ajStrGetLen(r->Seq);
c->tid = (int) r->Reference;
if(r->Flag & BAM_FREVERSE)
c->pos = r->y1-1;
else
c->pos = r->x1-1; /* BAM format is zero based;
-1 is translated to 0, meaning unmapped */
c->bin = 0;
c->qual = r->MapQ;
c->l_qname = 1 + ajStrGetLen(r->Name);
c->flag = r->Flag;
c->n_cigar = 0;
c->l_qseq = ilen;
c->mtid = (int) r->Rnext;
c->mpos = (int) r->Pnext-1;
c->isize = r->Tlen;
/* get cigar string length */
s = ajStrGetPtr(r->Cigar);
if (strcmp(s,"*")) /* '*' means unavailable */
{
for (; *s; ++s)
{
if ((isalpha((int)*s)) || (*s=='='))
++c->n_cigar;
else
if (!isdigit((int)*s))
ajWarn("invalid CIGAR character: %c\n", *s);
}
}
bam->data_len = c->n_cigar*4 + c->l_qname +
(ilen + 1)/2 + ilen;
/* allocation for optional tags are made as they are appended */
if(bam->data_len > bam->m_data)
{
AJCRESIZE0(bam->data,bam->m_data, bam->data_len);
bam->m_data = bam->data_len;
}
dpos = bam->data;
/* copy query name to bam->data */
memcpy(dpos, ajStrGetPtr(r->Name), c->l_qname);
dpos += c->l_qname;
/* copy cigar string to bam->data */
s = ajStrGetPtr(r->Cigar);
for (i = 0; i != c->n_cigar; ++i)
{
x = strtol(s, &t, 10);
op = toupper((int)*t);
if (op == 'M') op = BAM_CMATCH;
else if (op == 'I') op = BAM_CINS;
else if (op == 'D') op = BAM_CDEL;
else if (op == 'N') op = BAM_CREF_SKIP;
else if (op == 'S') op = BAM_CSOFT_CLIP;
else if (op == 'H') op = BAM_CHARD_CLIP;
else if (op == 'P') op = BAM_CPAD;
else if (op == '=') op = BAM_CEQUAL;
else if (op == 'X') op = BAM_CDIFF;
else ajWarn("invalid CIGAR operation: %c",op);
s = t + 1;
((ajuint*)dpos)[i] = x << BAM_CIGAR_SHIFT | op;
}
if (*s && c->n_cigar)
ajWarn("unmatched CIGAR operation: %c", *s);
c->bin = ajSeqBamReg2bin(c->pos, ajSeqBamCalend(c, MAJSEQBAMCIGAR(bam)));
dpos += c->n_cigar*4;
/* copy sequence string to bam->data */
s = ajStrGetPtr(r->Seq);
slen = (ilen+1)/2;
for (i = 0; i < slen; ++i)
dpos[i] = 0;
for (i = 0; i < ilen; ++i)
dpos[i/2] |= bam_nt16_table[(ajuint)s[i]] << 4*(1-i%2);
dpos += slen;
/* copy quality values to bam->data */
if(r->SeqQ && !ajStrMatchC(r->SeqQ, "*"))
{
s = ajStrGetPtr(r->SeqQ);
for(i=0;i<ilen;i++)
dpos[i]= s[i]-33;
}
else
for(i=0;i<ilen;i++)
dpos[i]= 0xff;
l = ajListIterNewread(r->Tags);
bam->l_aux=0;
while (!ajListIterDone(l))
{
tag = ajListIterGet(l);
/* TODO: array type 'B' and other types */
if(tag->type == 'i' || tag->type == 'I')
{
tagvalsize = 4;
ajStrToInt(tag->Comment, &intval);
tagval = (unsigned char*)&intval;
}
else if(tag->type =='s' || tag->type =='S')
{
tagvalsize = 2;
ajStrToInt(tag->Comment, &intval);
tagval = (unsigned char*)&intval;
}
else if(tag->type =='c' || tag->type =='C')
{
tagvalsize = 1;
ajStrToInt(tag->Comment, &intval);
tagval = (unsigned char*)&intval;
}
else if(tag->type =='A')
{
tagvalsize = 1;
tagval = (const unsigned char*)ajStrGetPtr(tag->Comment);
}
else if(tag->type =='Z')
{
tagvalsize = ajStrGetLen(tag->Comment)+1;
tagval = (const unsigned char*)ajStrGetPtr(tag->Comment);
}
else
{
ajWarn("tag type '%c' not yet supported",tag->type);
continue;
}
ajSeqBamAuxAppend(bam,
ajStrGetPtr(tag->Name),
tag->type,
tagvalsize,
tagval);
}
ajListIterDel(&l);
ajSeqBamWrite(gzfile, bam);
return ajTrue;
}
void ajResourceDel(AjPResource *Presource)
{
AjPResource thys;
AjPReslink reslink;
AjPResquery resqry;
AjPResterm resterm;
AjIList iter;
if(!Presource) return;
if(!(*Presource)) return;
thys = *Presource;
ajStrDel(&thys->Id);
ajListstrFreeData(&thys->Idalt);
ajStrDel(&thys->Acc);
ajStrDel(&thys->Name);
ajStrDel(&thys->Desc);
ajStrDel(&thys->Url);
ajStrDel(&thys->Urllink);
ajStrDel(&thys->Urlrest);
ajStrDel(&thys->Urlsoap);
ajListstrFreeData(&thys->Cat);
iter = ajListIterNewread(thys->Taxon);
while(!ajListIterDone(iter))
{
resterm = ajListIterGet(iter);
ajRestermDel(&resterm);
}
ajListIterDel(&iter);
ajListFree(&thys->Taxon);
iter = ajListIterNewread(thys->Edamdat);
while(!ajListIterDone(iter))
{
resterm = ajListIterGet(iter);
ajRestermDel(&resterm);
}
ajListIterDel(&iter);
ajListFree(&thys->Edamdat);
iter = ajListIterNewread(thys->Edamfmt);
while(!ajListIterDone(iter))
{
resterm = ajListIterGet(iter);
ajRestermDel(&resterm);
}
ajListIterDel(&iter);
ajListFree(&thys->Edamfmt);
iter = ajListIterNewread(thys->Edamid);
while(!ajListIterDone(iter))
{
resterm = ajListIterGet(iter);
ajRestermDel(&resterm);
}
ajListIterDel(&iter);
ajListFree(&thys->Edamid);
iter = ajListIterNewread(thys->Edamtpc);
while(!ajListIterDone(iter))
{
resterm = ajListIterGet(iter);
ajRestermDel(&resterm);
}
ajListIterDel(&iter);
ajListFree(&thys->Edamtpc);
iter = ajListIterNewread(thys->Xref);
while(!ajListIterDone(iter))
{
reslink = ajListIterGet(iter);
ajReslinkDel(&reslink);
}
ajListIterDel(&iter);
ajListFree(&thys->Xref);
iter = ajListIterNewread(thys->Query);
while(!ajListIterDone(iter))
{
resqry = ajListIterGet(iter);
ajResqueryDel(&resqry);
}
ajListIterDel(&iter);
ajListFree(&thys->Query);
ajListstrFreeData(&thys->Example);
ajStrDel(&thys->Db);
ajStrDel(&thys->Setdb);
ajStrDel(&thys->Full);
ajStrDel(&thys->Qry);
ajStrDel(&thys->Formatstr);
ajStrDel(&thys->Filename);
ajStrDel(&thys->TextPtr);
AJFREE(*Presource);
*Presource = NULL;
return;
}
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;
}
AjBool ajResourceGetDbdata(const AjPResource resource, AjPQuery qry,
AjBool findformat(const AjPStr format,
ajint *iformat))
{
AjIList iter;
AjPResquery resqry = NULL;
ajint format;
AjBool ret = ajFalse;
if(!resource)
return ajFalse;
qry->InDrcat = ajTrue;
ajStrAssignC(&qry->DbType, ajNamQueryGetDatatypeC(qry));
ajDebug("ajResourceGetDbdata dbtype %S %d\n", qry->DbType, qry->DataType);
if(qry->DataType == AJDATATYPE_URL)
{
ajStrAssignC(&qry->Method, "urlonly");
qry->QueryType = AJQUERY_ENTRY;
qry->HasAcc = ajFalse;
iter = ajListIterNewread(resource->Query);
while(!ajListIterDone(iter))
{
resqry = ajListIterGet(iter);
ajDebug("ajResourceGetDbdata test fmt: '%S' edam: '%S'\n",
resqry->Format, resqry->FormatTerm);
if(ajStrMatchC(resqry->FormatTerm, "2331"))
{
ajDebug(" OK fmt: '%S' edam: '%S' url '%S'\n",
resqry->Format, resqry->FormatTerm, resqry->Url);
ajStrAssignS(&qry->Formatstr, resqry->FormatTerm);
ajStrAssignS(&qry->DbUrl, resqry->Url);
ret = ajTrue;
}
}
ajListIterDel(&iter);
}
else
{
ajStrAssignC(&qry->Method, "url");
qry->QueryType = AJQUERY_ENTRY;
qry->HasAcc = ajFalse;
iter = ajListIterNewread(resource->Query);
while(!ajListIterDone(iter))
{
resqry = ajListIterGet(iter);
ajDebug("ajResourceGetDbdata test fmt: '%S' edam: '%S'\n",
resqry->Format, resqry->FormatTerm);
if(findformat(resqry->Format, &format))
{
ajDebug(" OK fmt: '%S' url '%S'\n",
resqry->Format, resqry->Url);
ajStrAssignS(&qry->Formatstr, resqry->Format);
ajStrAssignS(&qry->DbUrl, resqry->Url);
ret = ajTrue;
}
if(ajStrGetLen(resqry->FormatTerm) &&
findformat(resqry->FormatTerm, &format))
{
ajDebug(" OK edam: '%S' url '%S'\n",
resqry->FormatTerm, resqry->Url);
ajStrAssignS(&qry->Formatstr, resqry->FormatTerm);
ajStrAssignS(&qry->DbUrl, resqry->Url);
ret = ajTrue;
}
}
ajListIterDel(&iter);
}
return ret;
}
int main(ajint argc, char **argv)
{
AjPList ccfin = NULL; /* List of CCF (input) files. */
AjPDir pdbin = NULL; /* Path of pdb input files. */
AjPStr pdbprefix = NULL; /* Prefix of pdb input files. */
AjPStr pdb_name = NULL; /* Full name (path/name/extension) of
pdb format input file. */
AjPDirout ccfout = NULL; /* Path of coordinate output file. */
AjPStr randomname = NULL; /* Name for temp file tempf. */
AjPStr ccf_this = NULL;
AjPStr exec = NULL;
AjPStr naccess_str = NULL;
AjPStr line = NULL;
AjPStr syscmd = NULL; /* Command line arguments. */
AjPStr *mode = NULL; /* Mode of operation from acd. */
AjPFile errf = NULL; /* pdbplus error file pointer. */
AjPFile serrf = NULL; /* stride error file pointer. */
AjPFile nerrf = NULL; /* stride error file pointer. */
AjPFile tempf = NULL; /* Temp file for holding STRIDE output. */
AjPFile ccf_inf = NULL; /* Protein coordinate input file. */
AjPFile ccf_outf = NULL; /* Protein coordinate output file. */
AjIList iter = NULL;
AjBool done_naccess= ajFalse;
AjBool done_stride = ajFalse;
AjBool found = ajFalse;
AjPResidue temp_res = NULL; /* Pointer to Residue object. */
AjPPdb pdb_old = NULL; /* Pointer to PDB object - without new
stride elements. */
AjPPdb pdb = NULL; /* Pointer to PDB object. */
ajint idn = 0; /* Chain identifier as a number (1,2,...) */
ajint chain_num = 0; /* Chain identifier index (0,1,...). */
ajint tS = 0; /* User-defined threshold size for SSEs. */
ajint nostride = 0; /* No. times stride failed */
ajint nonaccess = 0; /* No. times naccess failed */
ajint nofile = 0; /* No. times of file error */
/* Variables for each item that will be parsed from the ASG line. */
AjPStr res = NULL; /* Residue id from STRIDE ASG line (ALA etc). */
AjPStr res_num = NULL; /* PDB residue number from STRIDE ASG line. */
char pcid = ' '; /* Protein chain identifier from STRIDE or
NACESS output (A,B, etc). */
char ss = ' '; /* One-letter secondary structure code from
STRIDE ASG line. */
float ph = 0.0; /* Phi angle from STRIDE ASG line. */
float ps = 0.0; /* Psi angle from STRIDE ASG line. */
float sa = 0.0; /* Residue solvent accessible area from STRIDE
ASG line. */
float f1 = 0;
float f2 = 0;
float f3 = 0;
float f4 = 0;
float f5 = 0;
float f6 = 0;
float f7 = 0;
float f8 = 0;
float f9 = 0;
float f10 = 0;
/* Allocate strings; this section is used for variables that are
allocated once only. */
pdb_name = ajStrNew();
res = ajStrNew();
res_num = ajStrNew();
randomname = ajStrNew();
syscmd = ajStrNew();
line = ajStrNew();
naccess_str = ajStrNew();
exec = ajStrNew();
/* Read data from acd. */
embInitPV("pdbplus",argc,argv,"STRUCTURE",VERSION);
ccfin = ajAcdGetDirlist("ccfinpath");
pdbin = ajAcdGetDirectory("pdbindir");
pdbprefix = ajAcdGetString("pdbprefix");
ccfout = ajAcdGetOutdir("ccfoutdir");
mode = ajAcdGetList("mode");
errf = ajAcdGetOutfile("logfile");
if(ajStrGetCharFirst(*mode) != '2')
serrf = ajAcdGetOutfile("slogfile");
if(ajStrGetCharFirst(*mode) != '1')
nerrf = ajAcdGetOutfile("nlogfile");
tS = ajAcdGetInt("thresholdsize");
ajRandomSeed();
ajFilenameSetTempname(&randomname);
/*
** Start of main application loop.
** Process each PDB/ protein coordinate file (EMBL format) in turn.
*/
while(ajListPop(ccfin,(void **)&ccf_this))
{
/* Open protein coordinate file. If it cannot be opened, write a
message to the error file, delete ccf_this and continue. */
if((ccf_inf = ajFileNewInNameS(ccf_this)) == NULL)
{
ajWarn("%s%S\n//\n",
"clean coordinate file not found: ", ccf_this);
ajFmtPrintF(errf, "%s%S\n//\n",
"clean coordinate file not found: ", ccf_this);
ajStrDel(&ccf_this);
nofile++;
continue;
}
ajFmtPrint("Processing %S\n", ccf_this);
fflush(stdout);
/* Parse protein coordinate data (from clean format file) into
AjPPdb object. ajPdbReadAllModelsNew will create the AjPPdb object. */
if(!(pdb_old=ajPdbReadAllModelsNew(ccf_inf)))
{
ajWarn("ERROR Clean coordinate file read"
"error: %S\n//\n", ccf_this);
ajFmtPrintF(errf, "ERROR Clean coordinate file read"
"error: %S\n//\n", ccf_this);
ajFileClose(&ccf_inf);
ajStrDel(&ccf_this);
nofile++;
continue;
}
ajFileClose(&ccf_inf);
ajPdbCopy(&pdb, pdb_old);
ajPdbDel(&pdb_old);
/* Construct name of corresponding PDB file.
NACCESS does *not* generate an output file if the path is './' e.g.
naccess ./1rbp.ent , therefore replace './' with null. */
ajStrAssignS(&pdb_name, ajDirGetPath(pdbin));
if(ajStrMatchC(pdb_name, "./") || ajStrMatchC(pdb_name, "."))
ajStrAssignC(&pdb_name, "");
ajStrAppendS(&pdb_name, pdbprefix);
ajStrFmtLower(&pdb->Pdb);
ajStrAppendS(&pdb_name, pdb->Pdb);
ajStrAppendC(&pdb_name, ".");
ajStrAppendS(&pdb_name, ajDirGetExt(pdbin));
/* Check corresponding PDB file exists for reading using ajFileStat. */
if(!(ajFilenameExistsRead(pdb_name)))
{
ajFmtPrintF(errf, "%s%S\n//\n", "PDB file not found: ", pdb_name);
ajWarn("%s%S\n//\n", "PDB file not found: ", pdb_name);
ajStrDel(&ccf_this);
ajPdbDel(&pdb);
nofile++;
continue;
}
if(ajStrGetCharFirst(*mode) != '2')
{
/*
** Create a string containing the STRIDE command line (it needs
** PDB file name & name of temp output file).
** Call STRIDE by using ajSystem.
*/
ajFmtPrintS(&syscmd, "%S %S -f%S >> %s 2>&1",
ajAcdGetpathC("stride"),
pdb_name, randomname, ajFileGetNameC(serrf));
ajFmtPrint("%S %S -f%S >> %s 2>&1\n",
ajAcdGetpathC("stride"),
pdb_name, randomname,ajFileGetNameC(serrf));
system(ajStrGetPtr(syscmd));
/* Open the stride output file */
if (((tempf = ajFileNewInNameS(randomname)) == NULL))
{
ajWarn("%s%S\n//\n",
"no stride output for: ", pdb_name);
ajFmtPrintF(errf, "%s%S\n//\n",
"no stride output for: ", pdb_name);
nostride++;
ajStrDel(&ccf_this);
ajPdbDel(&pdb);
continue;
}
else
ajFmtPrintF(errf, "%s%S\n//\n",
"stride output for: ", pdb_name);
done_stride = ajFalse;
/* Parse STRIDE output from temp output file a line at a time. */
while(ajReadlineTrim(tempf,&line))
{
if(ajStrPrefixC(line,"ASG"))
{
ajFmtScanS(line, "%*S %S %c %S %*d %c %*S %f %f %f %*S",
&res, &pcid, &res_num, &ss, &ph, &ps, &sa);
/*
** Populate pdbplus object with the data from this parsed
** line. This means first identifying the chain, then
** finding the residue.
*/
/* Determine the chain number. ajDmxPdbplusChain does not
recognise '-', so change '-' to '.' */
if (pcid == '-')
pcid = '.';
/* Get chain number from the chain identifier. */
if(!ajPdbChnidToNum(pcid, pdb, &idn))
{
ajWarn("Could not convert chain id %c to chain"
" number in pdb file %S\n//\n",
pcid, pdb_name);
ajFmtPrintF(errf, "Could not convert chain id %c "
"to chain number in pdb file %S\n//\n",
pcid, pdb_name);
continue;
}
/*
** The chain number that will get written starts at 1, but
** we want an index into an array which must start at 0,
** so subtract 1 from the chain number to get the index.
*/
chain_num = idn-1;
/*
** Iiterate through the list of residues in the Pdb object,
** found switches to true when first residue corresponding
** to the line is found.
*/
/* iter = ajListIterNewread(pdb->Chains[chain_num]->Atoms); */
iter = ajListIterNewread(pdb->Chains[chain_num]->Residues);
found = ajFalse;
while((temp_res = (AjPResidue)ajListIterGet(iter)))
{
/* If we have found the residue we want */
if((ajStrMatchS(res_num, temp_res->Pdb) &&
ajStrMatchS(res, temp_res->Id3)))
{
done_stride = ajTrue;
found = ajTrue;
temp_res->eStrideType = ss;
temp_res->Phi = ph;
temp_res->Psi = ps;
temp_res->Area = sa;
}
/* If the matching residue has been processed
move on to next ASG line, next residue. */
else if(found == ajTrue)
break;
else
/* Matching residue not found yet. */
continue;
}
ajListIterDel(&iter);
} /* End of if ASG loop. */
} /* End of while line loop. */
if(done_stride)
ajFmtPrintF(errf, "%s%S\n//\n",
"stride data for: ", pdb_name);
else
{
ajFmtPrintF(errf, "%s%S\n//\n",
"no stride data for: ", pdb_name);
ajWarn("%s%S\n//\n", "no stride data for: ", pdb_name);
nostride++;
}
/* Close STRIDE temp file. & tidy up. */
ajFileClose(&tempf);
/* Remove temporary file (stride output file). */
ajFmtPrintS(&exec, "rm %S", randomname);
ajSysSystem(exec);
/*
** Calculate element serial numbers (eStrideNum)& ammend residue
** objects, count no's of elements and ammend chain object
** (numHelices, num Strands).
*/
pdbplus_sort(pdb, tS);
}
if(ajStrGetCharFirst(*mode) != '1')
{
/*
** Create a string containing the NACCESS command line (it needs
** PDB file name & name of temp output file) & call NACCESS.
** If e.g. /data/structure/pdbfred.ent was parsed and the program
** was run from /stuff, then /stuff/fred.asa and /stuff/fred.rsa
** would be written. These must be deleted once parsed (only
** use the .rsa file here).
*/
ajFmtPrintS(&syscmd, "%S %S >> %s 2>&1",
ajAcdGetpathC("naccess"), pdb_name,
ajFileGetNameC(nerrf));
ajFmtPrint("%S %S >> %s 2>&1\n",
ajAcdGetpathC("naccess"), pdb_name,
ajFileGetNameC(nerrf));
system(ajStrGetPtr(syscmd));
ajStrAssignS(&naccess_str, pdbprefix);
ajStrAppendS(&naccess_str, pdb->Pdb);
ajStrAppendC(&naccess_str, ".rsa");
/* Open the NACCESS output file. */
if (((tempf = ajFileNewInNameS(naccess_str)) == NULL))
{
ajFmtPrintF(errf, "%s%S\n//\n",
"no naccess output for: ", pdb_name);
ajWarn("%s%S\n//\n", "no naccess output for: ", pdb_name);
nonaccess++;
ajStrDel(&ccf_this);
ajPdbDel(&pdb);
continue;
}
else
ajFmtPrintF(errf, "%s%S\n//\n",
"naccess output for: ", pdb_name);
done_naccess = ajFalse;
/* Parse NACCESS output from temp output file a line at a time. */
while(ajReadlineTrim(tempf,&line))
{
if(ajStrPrefixC(line,"RES"))
{
/* Read data from lines. */
if((pcid = line->Ptr[8]) == ' ')
ajFmtScanS(line, "%*S %S %S %f %f %f "
"%f %f %f %f %f %f %f",
&res, &res_num, &f1, &f2, &f3, &f4, &f5,
&f6, &f7, &f8, &f9, &f10);
else
ajFmtScanS(line, "%*S %S %*c %S %f %f "
"%f %f %f %f %f %f %f %f",
&res, &res_num, &f1, &f2, &f3, &f4, &f5,
&f6, &f7, &f8, &f9, &f10);
/* Identify the chain, then finding all the residues
corresponding to the residue. */
/* Get the chain number from the chain identifier. */
if(!ajPdbChnidToNum(pcid, pdb, &idn))
{
ajWarn("Could not convert chain id %c to chain"
" number in pdb file %S\n//\n",
pcid, pdb_name);
ajFmtPrintF(errf, "Could not convert chain id"
" %c to chain number in pdb file %S\n//\n",
pcid, pdb_name);
continue;
}
/*
** Chain number will start at 1, but we want an index
** into an array which must start at 0, so subtract 1
** from the chain number to get the index.
*/
chain_num = idn-1;
/*
** Iiterate through the list of residues in the Pdb object,
** temp_res is an AjPResidue used to point to the current
** residue.
** ajBool found switches to true when first residue
** corresponding to the line is found.
*/
iter = ajListIterNewread(pdb->Chains[chain_num]->Residues);
found = ajFalse;
while((temp_res = (AjPResidue)ajListIterGet(iter)))
{
/* If we have found the residue we want, write the residue
object. */
if((ajStrMatchS(res_num, temp_res->Pdb) &&
ajStrMatchS(res, temp_res->Id3)))
{
found = ajTrue;
done_naccess = ajTrue;
temp_res->all_abs = f1;
temp_res->all_rel = f2;
temp_res->side_abs = f3;
temp_res->side_rel = f4;
temp_res->main_abs = f5;
temp_res->main_rel = f6;
temp_res->npol_abs = f7;
temp_res->npol_rel = f8;
temp_res->pol_abs = f9;
temp_res->pol_rel = f10;
}
/* If the matching residues have all been processed.
move on to next ASG line, next residue. */
else if(found == ajTrue)
break;
else
/* Matching residues not found yet, move on to next
residue. */
continue;
}
ajListIterDel(&iter);
}
}
if(done_naccess)
ajFmtPrintF(errf, "%s%S\n//\n",
"naccess data for: ", pdb_name);
else
{
ajFmtPrintF(errf, "%s%S\n//\n",
"no naccess data for: ", pdb_name);
ajWarn("%s%S\n//\n", "no naccess data for: ", pdb_name);
nonaccess++;
}
/* Remove temporary file (naccess output files). */
ajFileClose(&tempf);
ajFmtPrintS(&exec, "rm %S", naccess_str);
ajSysSystem(exec);
ajStrAssignS(&naccess_str, pdbprefix);
ajStrAppendS(&naccess_str, pdb->Pdb);
ajStrAppendC(&naccess_str, ".asa");
ajFmtPrintS(&exec, "rm %S", naccess_str);
ajSysSystem(exec);
ajStrAssignS(&naccess_str, pdbprefix);
ajStrAppendS(&naccess_str, pdb->Pdb);
ajStrAppendC(&naccess_str, ".log");
ajFmtPrintS(&exec, "rm %S", naccess_str);
ajSysSystem(exec);
}
/* Open CCF (output) file. */
ccf_outf = ajFileNewOutNameDirS(pdb->Pdb, ccfout);
/* Write AjPPdb object to the output file in clean format. */
if(!ajPdbWriteAll(ccf_outf, pdb))
{
ajWarn("%s%S\n//\n","Could not write results file for: ",
pdb->Pdb);
ajFmtPrintF(errf,"%s%S\n//\n","Could not write results file for ",
pdb->Pdb);
}
ajFileClose(&ccf_outf);
ajPdbDel(&pdb);
ajStrDel(&ccf_this);
} /* End of main application loop. */
ajFmtPrint("STRIDE failures: %d\n", nostride);
ajFmtPrint("NACCESS failures: %d\n", nonaccess);
ajFmtPrintF(errf, "\n\nSTRIDE failures: %d\nNACCESS failures: %d\n",
nostride, nonaccess);
ajListFree(&ccfin);
ajDirDel(&pdbin);
ajStrDel(&pdbprefix);
ajStrDel(&pdb_name);
ajDiroutDel(&ccfout);
ajStrDel(&res);
ajStrDel(&res_num);
ajStrDel(&randomname);
ajStrDel(&line);
ajStrDel(&naccess_str);
ajStrDel(&exec);
ajStrDel(&syscmd);
ajFileClose(&errf);
if(ajStrGetCharFirst(*mode) != '2')
ajFileClose(&serrf);
if(ajStrGetCharFirst(*mode) != '1')
ajFileClose(&nerrf);
ajStrDel(&mode[0]);
AJFREE(mode);
ajExit();
return 0;
}
static void primersearch_store_hits(const Primer primdata,
AjPList fhits, AjPList rhits,
const AjPSeq seq, AjBool reverse)
{
ajint amplen = 0;
AjIList fi;
AjIList ri;
PHit primerhit = NULL;
fi = ajListIterNewread(fhits);
while(!ajListIterDone(fi))
{
EmbPMatMatch fm = NULL;
EmbPMatMatch rm = NULL;
amplen = 0;
fm = ajListIterGet(fi);
ri = ajListIterNewread(rhits);
while(!ajListIterDone(ri))
{
ajint seqlen = ajSeqGetLen(seq);
ajint s = (fm->start);
ajint e;
rm = ajListIterGet(ri);
e = (rm->start-1);
amplen = seqlen-(s-1)-e;
if (amplen > 0) /* no point making a hit if -ve length! */
{
primerhit = NULL;
AJNEW(primerhit);
primerhit->desc=NULL; /* must be NULL for ajStrAss */
primerhit->seqname=NULL; /* must be NULL for ajStrAss */
primerhit->acc=NULL;
primerhit->forward=NULL;
primerhit->reverse=NULL;
ajStrAssignC(&primerhit->seqname,ajSeqGetNameC(seq));
ajStrAssignS(&primerhit->desc, ajSeqGetDescS(seq));
ajStrAssignS(&primerhit->acc, ajSeqGetAccS(seq));
primerhit->forward_pos = fm->start;
primerhit->reverse_pos = rm->start;
primerhit->forward_mismatch = fm->mm;
primerhit->reverse_mismatch = rm->mm;
primerhit->amplen = amplen;
if(!reverse)
{
ajStrAssignS(&primerhit->forward,
primdata->forward->patstr);
ajStrAssignS(&primerhit->reverse,
primdata->reverse->patstr);
}
else
{
ajStrAssignS(&primerhit->forward,
primdata->reverse->patstr);
ajStrAssignS(&primerhit->reverse,
primdata->forward->patstr);
}
ajListPushAppend(primdata->hitlist, primerhit);
}
}
/*
** clean up rListIter here as it will be new'ed again next
** time through
*/
ajListIterDel(&ri);
}
ajListIterDel(&fi);
return;
}
static AjBool assemoutWriteSamAlignment(AjPFile outf, const AjPAssemRead r,
AjPAssemContig const * contigs,
ajint ncontigs)
{
AjPAssemTag t = NULL;
AjIList l = NULL;
AjPStr qualstr = NULL;
AjPStr tmp = NULL;
ajint POS = 0;
AjPStr CIGAR = NULL;
const char* RNEXT = NULL;
AjPStr SEQ = NULL;
AjPStr QUAL = NULL;
AjPStr SEQunpadded = NULL;
AjPStr QUALunpadded = NULL;
AjPStr consensus = NULL;
AjBool rc= ajFalse;
AjBool ret = ajTrue;
const char* refseq = NULL;
const AjPAssemContig contig = NULL;
ajuint k = 0;
if(r->Reference>=ncontigs)
ajDie("assemoutWriteSamAlignment: reference sequence number"
" '%d' is larger than or equal to known number of reference"
" sequences '%d'. Problem while processing read '%S'.",
r->Reference,
ncontigs,
r->Name);
contig = (r->Reference==-1 ? NULL : contigs[r->Reference]);
ajStrAssignRef(&SEQ, r->Seq);
consensus = contig==NULL? NULL : contig->Consensus;
if (r->Rnext==-1)
RNEXT= "*";
else if(r->Rnext==r->Reference)
RNEXT = "=";
else
RNEXT = ajStrGetPtr(contigs[r->Rnext]->Name);
if (r->Flag & BAM_FREVERSE)
{
rc = ajTrue;
qualstr = ajStrNewS(r->SeqQ);
if(!r->Reversed)
{
ajStrReverse(&qualstr);
ajSeqstrReverse(&SEQ);
}
QUAL = qualstr;
POS = r->y1;
ajStrAssignSubS(&tmp, SEQ,
ajStrGetLen(r->Seq) - r->y2,
ajStrGetLen(r->Seq) - r->x2
);
}
else
{
rc= ajFalse;
POS = r->x1;
QUAL = r->SeqQ;
ajStrAssignSubS(&tmp, SEQ,
r->x2-1,
r->y2-1
);
}
if(r->Cigar==NULL && consensus)
{
refseq = ajStrGetPtr(consensus) + (rc ? r->y1-1 : r->x1-1);
CIGAR = assemoutMakeCigar(refseq, ajStrGetPtr(tmp));
SEQunpadded = ajStrNewRes(ajStrGetLen(SEQ));
QUALunpadded = ajStrNewRes(ajStrGetLen(SEQ));
for(k=0; k< ajStrGetLen(SEQ); k++)
{
if (ajStrGetCharPos(SEQ, k) == '*')
continue;
ajStrAppendK(&SEQunpadded, ajStrGetCharPos(SEQ, k));
ajStrAppendK(&QUALunpadded, ajStrGetCharPos(QUAL, k));
}
ajDebug("cigar: %S\n", CIGAR);
ajStrAssignS(&tmp, CIGAR);
if(rc)
{
if(r->y2 < (ajint)ajStrGetLen(SEQ))
ajFmtPrintS(&CIGAR, "%dS%S",
ajStrGetLen(SEQ) - r->y2, tmp);
if(r->x2 > 1)
ajFmtPrintAppS(&CIGAR, "%dS", r->x2 - 1);
}
else
{
if(r->x2 > 1)
ajFmtPrintS(&CIGAR, "%dS%S", r->x2 - 1, tmp);
if(r->y2 < (ajint)ajStrGetLen(SEQ))
ajFmtPrintAppS(&CIGAR, "%dS",
ajStrGetLen(SEQ) - r->y2);
}
ajStrDel(&tmp);
}
else if(r->Cigar==NULL)
{
ajErr("both CIGAR string and consensus sequence not available");
ret = ajFalse;
ajStrAssignK(&CIGAR, '*');
}
else if(!ajStrGetLen(r->Cigar))
ajStrAssignK(&CIGAR, '*');
else if(ajStrGetLen(r->Cigar))
{
if(!ajStrGetLen(SEQ))
ajStrAssignK(&SEQ, '*');
if(!ajStrGetLen(QUAL))
ajStrAssignK(&QUAL, '*');
}
ajStrDel(&tmp);
ajFmtPrintF(outf, "%S\t%d\t%s\t%d\t%d\t%S\t%s\t%Ld\t%d\t%S\t%S",
r->Name,
r->Flag,
(contig==NULL ? "*" : ajStrGetPtr(contig->Name)),
POS,
r->MapQ,
(CIGAR ? CIGAR : r->Cigar),
RNEXT,
r->Pnext,
r->Tlen,
(r->Cigar ? SEQ : SEQunpadded),
(r->Cigar ? QUAL : QUALunpadded));
l = ajListIterNewread(r->Tags);
while (!ajListIterDone(l))
{
t = ajListIterGet(l);
/* TODO: array type, 'B' */
/* In SAM, all single integer types are mapped to int32_t [SAM spec] */
ajFmtPrintF(outf, "\t%S:%c:",
t->Name,
(t->type == 'c' || t->type == 'C' ||
t->type == 's' || t->type == 'S'
|| t->type == 'I') ? 'i' : t->type
);
if(t->x1 || t->y1)
ajFmtPrintF(outf, " %u %u", t->x1, t->y1);
if(t->Comment && ajStrGetLen(t->Comment)>0)
ajFmtPrintF(outf, "%S", t->Comment);
}
ajListIterDel(&l);
ajFmtPrintF(outf, "\n");
if(qualstr)
ajStrDel(&qualstr);
ajStrDel(&SEQ);
ajStrDel(&CIGAR);
ajStrDel(&SEQunpadded);
ajStrDel(&QUALunpadded);
return ret;
}
static void remap_RestrictPreferred(const AjPList l, const AjPTable t)
{
AjIList iter = NULL;
EmbPMatMatch m = NULL;
const AjPStr value = NULL;
AjPStr newiso = NULL;
AjBool found; /* name found in isoschizomer list */
/* for parsing value->iso string */
AjPStrTok tok = NULL;
char tokens[] = " ,";
AjPStr code = NULL;
iter = ajListIterNewread(l);
while((m = (EmbPMatMatch)ajListIterGet(iter)))
{
found = ajFalse;
/* get prototype name */
value = ajTableFetchS(t, m->cod);
if(value)
{
ajStrAssignC(&newiso, "");
/* parse isoschizomer names from m->iso */
ajStrTokenDel(&tok);
tok = ajStrTokenNewC(m->iso, tokens);
while(ajStrTokenNextParseC(&tok, tokens, &code))
{
if(ajStrGetLen(newiso) > 0)
ajStrAppendC(&newiso, ",");
/* found the prototype name? */
if(!ajStrCmpCaseS(code, value))
{
ajStrAppendS(&newiso, m->cod);
found = ajTrue;
}
else
ajStrAppendS(&newiso, code);
}
ajStrTokenDel(&tok);
/* if the name was not replaced, then add it in now */
if(!found)
{
if(ajStrGetLen(newiso) > 0)
ajStrAppendC(&newiso, ",");
ajStrAppendS(&newiso, m->cod);
}
ajDebug("RE: %S -> %S iso=%S newiso=%S\n", m->cod, value,
m->iso, newiso);
/* replace the old iso string with the new one */
ajStrAssignS(&m->iso, newiso);
/* rename the enzyme to the prototype name */
ajStrAssignS(&m->cod, value);
}
}
ajListIterDel(&iter);
ajStrDel(&newiso);
ajStrDel(&code);
ajStrTokenDel(&tok);
return;
}
static void dottup_stretchplot(AjPGraph graph, const AjPList matchlist,
const AjPSeq seq1, const AjPSeq seq2,
ajint begin1, ajint begin2,
ajint end1, ajint end2)
{
EmbPWordMatch wmp = NULL;
float xa[1];
float ya[2];
AjPGraphdata gdata = NULL;
AjPStr tit = NULL;
float x1;
float y1;
float x2;
float y2;
AjIList iter = NULL;
tit = ajStrNew();
ajFmtPrintS(&tit,"%S",ajGraphGetTitleS(graph));
gdata = ajGraphdataNewI(1);
xa[0] = (float)begin1;
ya[0] = (float)begin2;
ajGraphSetTitleC(graph,ajStrGetPtr(tit));
ajGraphSetXlabelC(graph,ajSeqGetNameC(seq1));
ajGraphSetYlabelC(graph,ajSeqGetNameC(seq2));
ajGraphdataSetTypeC(gdata,"2D Plot Float");
ajGraphdataSetMinmax(gdata,(float)begin1,(float)end1,(float)begin2,
(float)end2);
ajGraphdataSetTruescale(gdata,(float)begin1,(float)end1,(float)begin2,
(float)end2);
ajGraphxySetXstartF(graph,(float)begin1);
ajGraphxySetXendF(graph,(float)end1);
ajGraphxySetYstartF(graph,(float)begin2);
ajGraphxySetYendF(graph,(float)end2);
ajGraphxySetXrangeII(graph,begin1,end1);
ajGraphxySetYrangeII(graph,begin2,end2);
if(matchlist)
{
iter = ajListIterNewread(matchlist);
while((wmp = ajListIterGet(iter)))
{
x1 = x2 = (float) (wmp->seq1start + begin1);
y1 = y2 = (float) (wmp->seq2start + begin2);
x2 += (float) wmp->length-1;
y2 += (float) wmp->length-1;
ajGraphAddLine(graph,x1,y1,x2,y2,0);
}
ajListIterDel(&iter);
}
ajGraphdataAddXY(gdata,xa,ya);
ajGraphDataReplace(graph,gdata);
ajGraphxyDisplay(graph,ajFalse);
ajGraphicsClose();
ajStrDel(&tit);
return;
}
static void remap_NoCutList(AjPFile outfile, const AjPTable hittable,
AjBool html, const AjPStr enzymes, AjBool blunt,
AjBool sticky, ajuint sitelen, AjBool commercial,
AjBool ambiguity, AjBool limit,
const AjPTable retable)
{
/* for iterating over hittable */
PValue value;
void **keyarray = NULL; /* array for table */
void **valarray = NULL; /* array for table */
ajint i;
/* list of enzymes that cut */
AjPList cutlist;
AjIList citer; /* iterator for cutlist */
AjPStr cutname = NULL;
AjBool found;
/* for parsing value->iso string */
AjPStrTok tok;
char tokens[] = " ,";
AjPStr code = NULL;
const char *p;
/* for reading in enzymes names */
AjPFile enzfile = NULL;
AjPStr *ea;
ajint ne; /* number of enzymes */
AjBool isall = ajTrue;
/* list of enzymes that don't cut */
AjPList nocutlist;
AjIList niter; /* iterator for nocutlist */
AjPStr nocutname = NULL;
/* count of rejected enzymes not matching criteria */
ajint rejected_count = 0;
EmbPPatRestrict enz;
/* for renaming preferred isoschizomers */
AjPList newlist;
/*
**
** Make a list of enzymes('cutlist') that hit
** including the isoschizomer names
**
*/
ajDebug("Make a list of all enzymes that cut\n");
cutlist = ajListstrNew();
nocutlist = ajListstrNew();
ajTableToarrayKeysValues(hittable, &keyarray, &valarray);
for(i = 0; keyarray[i]; i++)
{
value = (PValue) valarray[i];
cutname = ajStrNew();
ajStrAssignRef(&cutname, keyarray[i]);
ajListstrPushAppend(cutlist, cutname);
/* Add to cutlist all isoschizomers of enzymes that cut */
ajDebug("Add to cutlist all isoschizomers of enzymes that cut\n");
/* start token to parse isoschizomers names */
tok = ajStrTokenNewC(value->iso, tokens);
while(ajStrTokenNextParseC(&tok, tokens, &code))
{
cutname = ajStrNew();
ajStrAssignS(&cutname, code);
ajListstrPushAppend(cutlist, cutname);
}
ajStrTokenDel(&tok);
}
ajStrDel(&code);
AJFREE(keyarray);
AJFREE(valarray);
/*
** Read in list of enzymes ('nocutlist') - either all or
** the input enzyme list.
** Exclude those that don't match the selection criteria - count these.
*/
ajDebug("Read in a list of all input enzyme names\n");
ne = 0;
if(!enzymes)
isall = ajTrue;
else
{
/* get input list of enzymes into ea[] */
ne = ajArrCommaList(enzymes, &ea);
if(ajStrMatchCaseC(ea[0], "all"))
isall = ajTrue;
else
{
isall = ajFalse;
for(i=0; i<ne; ++i)
ajStrRemoveWhite(&ea[i]);
}
}
enzfile = ajDatafileNewInNameC(ENZDATA);
/* push all enzyme names without the required criteria onto nocutlist */
enz = embPatRestrictNew();
while(!ajFileIsEof(enzfile))
{
if(!embPatRestrictReadEntry(enz, enzfile))
continue;
/*
** If user entered explicit enzyme list, then check to see if
** this is one of that explicit list
*/
if(!isall)
{
found = AJFALSE;
for(i=0; i<ne; ++i)
if(ajStrMatchCaseS(ea[i], enz->cod))
{
found = AJTRUE;
break;
}
if(!found) /* not in the explicit list */
continue;
ajDebug("RE %S is in the input explicit list of REs\n", enz->cod);
}
/* ignore ncuts==0 as they are unknown */
if(!enz->ncuts)
{
/* number of cut positions */
ajDebug("RE %S has an unknown number of cut positions\n",
enz->cod);
continue;
}
ajDebug("RE %S has a known number of cut sites\n", enz->cod);
if(enz->len < sitelen)
{
/* recognition site length */
ajDebug("RE %S does not have a long enough recognition site\n",
enz->cod);
rejected_count++;
continue;
}
if(!blunt && enz->blunt)
{
/* blunt/sticky */
ajDebug("RE %S is blunt\n", enz->cod);
rejected_count++;
continue;
}
if(!sticky && !enz->blunt)
{
/* blunt/sticky */
ajDebug("RE %S is sticky\n", enz->cod);
rejected_count++;
continue;
}
/* commercially available enzymes have uppercase patterns */
p = ajStrGetPtr(enz->pat);
/*
** The -commercial qualifier is only used if we are searching
** through 'all' of the REBASE database - if we have specified an
** explicit list of enzymes then they are searched for whether or
** not they are commercially available
*/
if((*p >= 'a' && *p <= 'z') && commercial && isall)
{
ajDebug("RE %S is not commercial\n", enz->cod);
rejected_count++;
continue;
}
if(!ambiguity && remap_Ambiguous(enz->pat)) {
ajDebug("RE %S is ambiguous\n", enz->cod);
rejected_count++;
continue;
}
ajDebug("RE %S matches all required criteria\n", enz->cod);
code = ajStrNew();
ajStrAssignS(&code, enz->cod);
ajListstrPushAppend(nocutlist, code);
}
embPatRestrictDel(&enz);
ajFileClose(&enzfile);
for(i=0; i<ne; ++i)
if(ea[i])
ajStrDel(&ea[i]);
if(ne)
AJFREE(ea);
/*
** Change names of enzymes in the non-cutter list
** to that of preferred (prototype)
** enzyme name so that the isoschizomers of cutters
** will be removed from the
** non-cutter list in the next bit.
** Remove duplicate prototype names.
*/
if(limit)
{
newlist = ajListstrNew();
remap_RenamePreferred(nocutlist, retable, newlist);
ajListstrFreeData(&nocutlist);
nocutlist = newlist;
ajListSortUnique(nocutlist, remap_cmpcase, remap_strdel);
}
/*
** Iterate through the list of input enzymes removing those that are in
** the cutlist.
*/
ajDebug("Remove from the nocutlist all enzymes and isoschizomers "
"that cut\n");
/*
** This steps down both lists at the same time, comparing names and
** iterating to the next name in whichever list whose name compares
** alphabetically before the other. Where a match is found, the
** nocutlist item is deleted.
*/
ajListSort(nocutlist, remap_cmpcase);
ajListSort(cutlist, remap_cmpcase);
citer = ajListIterNewread(cutlist);
niter = ajListIterNew(nocutlist);
/*
while((cutname = (AjPStr)ajListIterGet(citer)) != NULL)
ajDebug("dbg cutname = %S\n", cutname);
*/
nocutname = (AjPStr)ajListIterGet(niter);
cutname = (AjPStr)ajListIterGet(citer);
ajDebug("initial cutname, nocutname: '%S' '%S'\n", cutname, nocutname);
while(nocutname != NULL && cutname != NULL)
{
i = ajStrCmpCaseS(cutname, nocutname);
ajDebug("compare cutname, nocutname: %S %S ", cutname, nocutname);
ajDebug("ajStrCmpCase=%d\n", i);
if(i == 0)
{
/* match - so remove from nocutlist */
ajDebug("ajListstrRemove %S\n", nocutname);
ajListstrIterRemove(niter);
nocutname = (AjPStr)ajListIterGet(niter);
/*
** Don't increment the cutname list pointer here
** - there may be more than one entry in the nocutname
** list with the same name because we have converted
** isoschizomers to their preferred name
*/
/* cutname = (AjPStr)ajListIterGet(citer); */
}
else if(i == -1)
/* cutlist name sorts before nocutlist name */
cutname = (AjPStr)ajListIterGet(citer);
else if(i == 1)
/* nocutlist name sorts before cutlist name */
nocutname = (AjPStr)ajListIterGet(niter);
}
ajListIterDel(&citer);
ajListIterDel(&niter);
ajListstrFreeData(&cutlist);
/* Print the resulting list of those that do not cut*/
ajDebug("Print out the list\n");
/* print the title */
if(html)
ajFmtPrintF(outfile, "<H2>");
ajFmtPrintF(outfile, "\n\n# Enzymes that do not cut\n\n");
if(html)
ajFmtPrintF(outfile, "</H2>\n");
if(html)
ajFmtPrintF(outfile, "<PRE>");
/* ajListSort(nocutlist, ajStrVcmp);*/
niter = ajListIterNewread(nocutlist);
i = 0;
while((nocutname = (AjPStr)ajListIterGet(niter)) != NULL)
{
ajFmtPrintF(outfile, "%-10S", nocutname);
/* new line after every 7 names printed */
if(i++ == 7)
{
ajFmtPrintF(outfile, "\n");
i = 0;
}
}
ajListIterDel(&niter);
/* end the output */
ajFmtPrintF(outfile, "\n");
if(html) {ajFmtPrintF(outfile, "</PRE>\n");}
/*
** Print the count of rejected enzymes
** N.B. This is the count of ALL rejected enzymes including all
** isoschizomers
*/
if(html)
ajFmtPrintF(outfile, "<H2>");
ajFmtPrintF(outfile,
"\n\n# No. of cutting enzymes which do not match the\n"
"# SITELEN, BLUNT, STICKY, COMMERCIAL, AMBIGUOUS criteria\n\n");
if(html)
ajFmtPrintF(outfile, "</H2>\n");
ajFmtPrintF(outfile, "%d\n", rejected_count);
ajDebug("Tidy up\n");
ajListstrFreeData(&nocutlist);
ajListstrFreeData(&cutlist);
return;
}
int main(int argc, char **argv)
{
/* Variable declarations */
AjPStr dbname = NULL;
AjPStr svrname = NULL;
AjPFile outfile = NULL;
AjPResource resource = NULL;
AjPResourcein resourcein = NULL;
AjPStr resourceqry = NULL;
AjPStr type = NULL;
AjBool id;
AjBool qry;
AjBool all;
AjBool verbose;
AjPStr methods = NULL;
AjPStr release = NULL;
AjPStr comment = NULL;
AjPStr defined = NULL;
AjPList list = NULL;
AjPTagval tagval = NULL;
AjIList iter = NULL;
ajuint space = 0;
AjPList aliaslist = NULL;
AjIList aliter = NULL;
const AjPStr alias = NULL;
ajuint maxlen;
AjPStr truedbname = NULL;
AjBool isalias = ajFalse;
/* ACD processing */
embInit("dbtell", argc, argv);
dbname = ajAcdGetString("database");
svrname = ajAcdGetString("server");
verbose = ajAcdGetBoolean("full");
outfile = ajAcdGetOutfile("outfile");
ajStrAssignS(&truedbname, dbname);
ajNamAliasDatabase(&truedbname);
ajStrFmtLower(&truedbname);
if(!ajStrMatchS(dbname, truedbname))
isalias = ajTrue;
/* Application logic */
/* Check EMBOSS database information.
Write output file */
if(ajNamDbDetailsSvr(truedbname, svrname, &type, &id, &qry, &all,
&comment, &release, &methods, &defined))
{
if(isalias)
ajFmtPrintF(outfile, "# %S is an alias for %S defined in %S\n",
dbname, truedbname, defined);
else
ajFmtPrintF(outfile, "# %S is defined in %S\n",
truedbname, defined);
ajFmtPrintF(outfile, "# access levels id: %B query: %B all: %B\n\n",
id, qry, all);
ajFmtPrintF(outfile, "DBNAME %S [\n", truedbname);
if(ajStrGetLen(svrname))
list = ajNamDbGetAttrlistSvr(truedbname, svrname);
else
list = ajNamDbGetAttrlist(truedbname);
iter = ajListIterNewread(list);
while(!ajListIterDone(iter))
{
tagval = ajListIterGet(iter);
space = 15 - ajStrGetLen(ajTagvalGetTag(tagval));
ajFmtPrintF(outfile, " %S:%.*s\"%S\"\n",
ajTagvalGetTag(tagval),
space, " ",
ajTagvalGetValue(tagval));
ajTagvalDel(&tagval);
}
ajListIterDel(&iter);
ajListFree(&list);
ajFmtPrintF(outfile, "]\n");
if(verbose)
{
aliaslist = ajListNew();
ajNamListFindAliases(truedbname, aliaslist);
if(ajListGetLength(aliaslist))
{
ajFmtPrintF(outfile, "\n");
aliter = ajListIterNewread(aliaslist);
maxlen = 1;
while(!ajListIterDone(aliter))
{
alias = ajListIterGet(aliter);
if(MAJSTRGETLEN(alias) > maxlen)
maxlen = MAJSTRGETLEN(alias);
}
ajListIterDel(&aliter);
aliter = ajListIterNewread(aliaslist);
while(!ajListIterDone(aliter))
{
alias = ajListIterGet(aliter);
if(ajStrFindK(alias, ':') < 0)
ajFmtPrintF(outfile, "ALIAS %-*S %S\n",
maxlen, alias, truedbname);
}
ajListIterDel(&aliter);
}
ajListstrFree(&aliaslist);
}
ajStrDel(&type);
ajStrDel(&methods);
ajStrDel(&release);
ajStrDel(&comment);
ajStrDel(&defined);
}
else
{
/* try looking in DRCAT */
resourcein = ajResourceinNew();
resource = ajResourceNew();
ajFmtPrintS(&resourceqry, "drcat:%S", dbname);
ajResourceinQryS(resourcein, resourceqry);
if(ajResourceinRead(resourcein, resource))
{
ajFmtPrintF(outfile, "DBNAME %S [\n", dbname);
ajFmtPrintF(outfile, " comment: \"defined in DRCAT\"\n");
ajFmtPrintF(outfile, "]\n");
}
ajResourceinDel(&resourcein);
ajResourceDel(&resource);
ajStrDel(&resourceqry);
}
/* Memory clean-up and exit */
ajFileClose(&outfile);
ajStrDel(&truedbname);
ajStrDel(&dbname);
ajStrDel(&svrname);
embExit();
return 0;
}
