int main(int argc, char **argv)
{
AjPFile infdat = NULL;
AjPFile infdoc = NULL;
AjPFile outf = NULL;
AjPFile outs = NULL;
AjBool haspattern;
const char *p;
AjPStr line = NULL;
AjPStr text = NULL;
AjPStr dirname = NULL;
AjPStr filename = NULL;
AjPStr id = NULL;
AjPStr ac = NULL;
AjPStr de = NULL;
AjPStr pa = NULL;
AjPStr ps = NULL;
AjPStr fn = NULL;
AjPStr re = NULL;
AjPStr fname = NULL;
AjBool flag;
AjBool isopen;
AjBool goback;
ajlong storepos = 0L;
embInit("prosextract", argc, argv);
dirname = ajAcdGetDirectoryName("prositedir");
line = ajStrNew();
text = ajStrNew();
id = ajStrNew();
ac = ajStrNew();
de = ajStrNew();
pa = ajStrNew();
ps = ajStrNew();
fn=ajStrNew();
ajStrAssignS(&fn,dirname);
ajStrAppendC(&fn,"prosite.dat");
if(!(infdat=ajFileNewInNameS(fn)))
ajFatal("Cannot open file %S",fn);
ajStrDel(&fn);
fn=ajStrNewC("PROSITE/prosite.lines");
outf = ajDatafileNewOutNameS(fn);
ajStrDel(&fn);
haspattern = ajFalse;
while(ajReadlineTrim(infdat, &line) )
{
if(ajStrPrefixC(line, "ID"))
{
if(ajStrSuffixC(line,"PATTERN."))
{
haspattern = ajTrue;
/*save id*/
p = ajStrGetPtr(line);
p = ajSysFuncStrtok(p," \t;");
p = ajSysFuncStrtok(NULL," \t;");
ajStrAssignC(&id,p);
ajFmtPrintF(outf, "%S ", id);
continue;
}
else
{
haspattern = ajFalse;
continue;
}
}
if(!haspattern)
continue;
if(ajStrPrefixC(line, "AC") )
{
p = ajStrGetPtr(line);
p = ajSysFuncStrtok(p, " \t;");
p = ajSysFuncStrtok(NULL, " \t;");
ajStrAssignC(&ac,p);
ajFmtPrintF(outf, "%S\n ", ac);
continue;
}
if(ajStrPrefixC(line, "DE") )
{
p = ajStrGetPtr(line);
p = ajSysFuncStrtok(p, " \t.");
p = ajSysFuncStrtok(NULL, " \t.");
ajStrAssignC(&de,p);
ajFmtPrintF(outf, "%S\n ", de);
continue;
}
if(ajStrPrefixC(line, "PA"))
{
ajStrAssignC(&pa,"");
while(ajStrPrefixC(line,"PA"))
{
p = ajStrGetPtr(line);
p = ajSysFuncStrtok(p, " \t.");
p = ajSysFuncStrtok(NULL, " \t.");
ajStrAppendC(&pa,p);
ajReadlineTrim(infdat, &line);
}
ajFmtPrintF(outf, "%S\n", pa);
re = embPatPrositeToRegExp(pa);
ajFmtPrintF(outf, "^%S\n\n", re);
ajStrDel(&re);
continue;
}
}
/* Finished processing prosite.dat so look at prosite.doc */
fn = ajStrNew();
ajStrAssignS(&fn,dirname);
ajStrAppendC(&fn,"prosite.doc");
if(!(infdoc=ajFileNewInNameS(fn)))
ajFatal("Cannot open file %S",fn);
ajStrDel(&fn);
fname = ajStrNewC("PROSITE/");
flag = ajFalse;
isopen = ajFalse;
goback = ajFalse;
while(ajReadlineTrim(infdoc, &text))
{
if(ajStrPrefixC(text, "{PS") && isopen && !goback)
goback = ajTrue;
if(ajStrPrefixC(text, "{PS") && !isopen)
{
storepos = ajFileResetPos(infdoc);
/* save out the documentation text to acc numbered outfiles . */
p = ajStrGetPtr(text)+1;
p = ajSysFuncStrtok(p, ";");
ajStrAssignS(&filename, fname);
ajStrAppendC(&filename, p);
outs = ajDatafileNewOutNameS(filename);
flag = ajTrue;
isopen = ajTrue;
continue;
}
if(ajStrPrefixC(text, "{BEGIN}") && flag)
{
while(ajReadlineTrim(infdoc, &text))
{
if(ajStrPrefixC(text,"{END}"))
break;
ajFmtPrintF(outs, "%S\n", text);
}
ajFileClose(&outs);
isopen = ajFalse;
if(goback)
{
goback = ajFalse;
ajFileSeek(infdoc,storepos,0);
}
}
}
ajStrDel(&line);
ajStrDel(&text);
ajStrDel(&dirname);
ajStrDel(&filename);
ajStrDel(&id);
ajStrDel(&ac);
ajStrDel(&de);
ajStrDel(&pa);
ajStrDel(&re);
ajStrDel(&ps);
ajStrDel(&fname);
ajFileClose(&infdat);
ajFileClose(&infdoc);
ajFileClose(&outf);
embExit();
return 0;
}
/* @funcstatic newcoils_read_matrix *******************************************
**
** Reads the matrix and stores in a hept_pref structure
**
** @param [u] inf [AjPFile] matrix input file
** @return [struct hept_pref*] Matrix data for heptad preference
******************************************************************************/
static struct hept_pref* newcoils_read_matrix(AjPFile inf)
{
ajint i;
ajint j;
ajint pt;
ajint aa_len;
ajint win;
float m_g;
float sd_g;
float m_cc;
float sd_cc;
float sc;
float hept[NCHEPTAD];
AjPStr buff;
const char *pbuff;
struct hept_pref *h;
buff = ajStrNew();
aa_len = strlen(NCAAs);
AJNEW(h);
AJCNEW(h->m,aa_len);
for(i=0; i<aa_len; ++i)
{
AJCNEW(h->m[i],NCHEPTAD);
for(j=0; j<NCHEPTAD; ++j)
h->m[i][j] = -1;
}
AJNEW(h->f);
h->n = 0;
h->smallest = 1.0;
while(ajReadlineTrim(inf,&buff))
{
pbuff = ajStrGetPtr(buff);
if(*pbuff != '%')
{
if((strncmp(pbuff,"uw ",3)==0) || (strncmp(pbuff,"w ",2)==0))
{
i = h->n;
if(strncmp(pbuff,"uw ",3)==0)
h->f[i].w = 0;
else
h->f[i].w = 1;
ajFmtScanS(buff,"%*s %d %f %f %f %f %f",&win,&m_cc,
&sd_cc,&m_g,&sd_g,&sc);
h->f[i].win = win;
h->f[i].m_cc = (float)m_cc;
h->f[i].sd_cc = (float)sd_cc;
h->f[i].m_g = (float)m_g;
h->f[i].sd_g = (float)sd_g;
h->f[i].sc = (float)sc;
h->n++;
AJCRESIZE(h->f,(h->n)+1);
if((h->n)>=9)
ajFatal("Too many window parms in matrix file\n");
}
else if(*pbuff>='A' && *pbuff<='Z')
{
/* AA data */
pt = (int)(pbuff[0]-'A');
if(h->m[pt][0]==-1)
{
ajFmtScanS(buff,"%*s%f%f%f%f%f%f%f",&hept[0],
&hept[1],&hept[2],&hept[3],&hept[4],
&hept[5],&hept[6]);
for(i=0; i<NCHEPTAD; ++i)
{
h->m[pt][i] = (float)hept[i];
if(h->m[pt][i]>0)
{
if(h->m[pt][i]<h->smallest)
h->smallest = h->m[pt][i];
}
else
h->m[pt][i]=-1; /* Don't permit zero values */
}
}
else
ajWarn("multiple entries for AA %c in matrix file\n",
*pbuff);
}
else
{
ajWarn("strange characters in matrix file\n");
ajWarn("Ignoring line: %S\n",buff);
}
}
}
ajStrDel(&buff);
return h;
}
int main(int argc, char **argv) {
embInitPV("kclustalw", argc, argv, "KBWS", "1.0.8");
struct soap soap;
struct ns1__clustalwInputParams params;
char* jobid;
char* result;
AjPSeqall seqall;
AjPSeq seq;
AjPFile outf;
AjPFile outf_dnd;
AjPStr substr;
AjPStr inseq = NULL;
AjPStr alignment;
AjPStr output;
AjPStr matrix;
AjPStr outorder;
ajint ktup;
ajint window;
ajint gapopen;
float gapext;
ajint gapdist;
AjBool endgaps;
ajint pairgap;
ajint topdiags;
AjPStr score;
AjBool tossgaps;
AjBool kimura;
AjPStr outputtree;
AjBool tree;
AjBool quicktree;
AjBool align;
AjPStr clustering;
ajint numiter;
AjPStr iteration;
alignment = ajAcdGetString("alignment");
output = ajAcdGetString("output");
matrix = ajAcdGetString("matrix");
outorder = ajAcdGetString("outorder");
ktup = ajAcdGetInt("ktup");
window = ajAcdGetInt("window");
gapopen = ajAcdGetInt("gapopen");
gapext = ajAcdGetFloat("gapext");
gapdist = ajAcdGetInt("gapdist");
endgaps = ajAcdGetBoolean("endgaps");
pairgap = ajAcdGetInt("pairgap");
topdiags = ajAcdGetInt("topdiags");
score = ajAcdGetString("score");
tossgaps = ajAcdGetBoolean("tossgaps");
kimura = ajAcdGetBoolean("kimura");
outputtree = ajAcdGetString("outputtree");
tree = ajAcdGetBoolean("tree");
quicktree = ajAcdGetBoolean("quicktree");
align = ajAcdGetBoolean("align");
clustering = ajAcdGetString("clustering");
numiter = ajAcdGetInt("numiter");
iteration = ajAcdGetString("iteration");
seqall = ajAcdGetSeqall("seqall");
outf = ajAcdGetOutfile("outfile");
outf_dnd = ajAcdGetOutfile("dndoutfile");
params.alignment = ajCharNewS(alignment);
params.output = ajCharNewS(output);
params.matrix = ajCharNewS(matrix);
params.outorder = ajCharNewS(outorder);
params.ktup = ktup;
params.window = window;
params.gapopen = gapopen;
params.gapext = gapext;
params.gapdist = gapdist;
if (endgaps) {
params.endgaps = xsd__boolean__true_;
} else {
params.endgaps = xsd__boolean__false_;
}
params.pairgap = pairgap;
params.topdiags = topdiags;
params.score = ajCharNewS(score);
if (tossgaps) {
params.tossgaps = xsd__boolean__true_;
} else {
params.tossgaps = xsd__boolean__false_;
}
if (kimura) {
params.kimura = xsd__boolean__true_;
} else {
params.kimura = xsd__boolean__false_;
}
params.outputtree = ajCharNewS(outputtree);
if (tree) {
params.tree = xsd__boolean__true_;
} else {
params.tree = xsd__boolean__false_;
}
if (quicktree) {
params.quicktree = xsd__boolean__true_;
} else {
params.quicktree = xsd__boolean__false_;
}
if (align) {
params.align = xsd__boolean__true_;
} else {
params.align = xsd__boolean__false_;
}
params.clustering = ajCharNewS(clustering);
params.numiter = numiter;
params.iteration = ajCharNewS(iteration);
AjPStr tmp = NULL;
AjPStr tmpFileName = NULL;
AjPSeqout fil_file;
AjPStr line = NULL; /* if "AjPStr line; -> ajReadline is not success!" */
AjPStr sizestr = NULL;
ajint thissize;
ajint nb = 0;
AjBool are_prot = ajFalse;
ajint size = 0;
AjPFile infile;
tmp = ajStrNewC("fasta");
fil_file = ajSeqoutNew();
tmpFileName = getUniqueFileName();
if( !ajSeqoutOpenFilename(fil_file, tmpFileName) ) {
embExitBad();
}
ajSeqoutSetFormatS(fil_file, tmp);
while (ajSeqallNext(seqall, &seq)) {
if (!nb) {
are_prot = ajSeqIsProt(seq);
}
ajSeqoutWriteSeq(fil_file, seq);
++nb;
}
ajSeqoutClose(fil_file);
ajSeqoutDel(&fil_file);
if (nb < 2) {
ajFatal("Multiple alignments need at least two sequences");
}
infile = ajFileNewInNameS(tmpFileName);
while (ajReadline(infile, &line)) {
ajStrAppendS(&inseq,line);
ajStrAppendC(&inseq,"\n");
}
soap_init(&soap);
char* in0;
in0 = ajCharNewS(inseq);
if ( soap_call_ns1__runClustalw( &soap, NULL, NULL, in0, ¶ms, &jobid ) == SOAP_OK ) {
fprintf(stderr,"Jobid: %s\n",jobid);
} else {
soap_print_fault(&soap, stderr);
}
int check = 0;
while ( check == 0 ) {
if ( soap_call_ns1__checkStatus( &soap, NULL, NULL, jobid, &check ) == SOAP_OK ) {
fprintf(stderr,"*");
} else {
soap_print_fault(&soap, stderr);
}
sleep(3);
}
fprintf(stderr,"\n");
char* type;
type = "out";
if(soap_call_ns1__getMultiResult( &soap, NULL, NULL, jobid, type, &result )== SOAP_OK) {
substr = ajStrNewC(result);
fprintf(stdout, "%s\n", ajStrGetPtr(substr));
} else {
soap_print_fault(&soap, stderr);
}
type = "aln";
if(soap_call_ns1__getMultiResult( &soap, NULL, NULL, jobid, type, &result )== SOAP_OK) {
substr = ajStrNewC(result);
ajFmtPrintF(outf,"%S\n",substr);
} else {
soap_print_fault(&soap, stderr);
}
type = "dnd";
if(soap_call_ns1__getMultiResult( &soap, NULL, NULL, jobid, type, &result )== SOAP_OK) {
substr = ajStrNewC(result);
ajFmtPrintF(outf_dnd,"%S\n",substr);
} else {
soap_print_fault(&soap, stderr);
}
ajSysFileUnlinkS(tmpFileName);
soap_destroy(&soap);
soap_end(&soap);
soap_done(&soap);
ajFileClose(&outf_dnd);
ajFileClose(&outf);
ajSeqallDel(&seqall);
ajSeqDel(&seq);
ajStrDel(&substr);
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 seqall;
AjPSeq seq = NULL;
AjPFile inf = NULL;
AjPStr strand = NULL;
AjPStr substr = NULL;
AjPStr name = NULL;
AjPStr mname = NULL;
AjPStr tname = NULL;
AjPStr pname = NULL;
AjPStr line = NULL;
AjPStr cons = NULL;
AjPStr m = NULL;
AjPStr n = NULL;
AjPAlign align= NULL; /* JISON, replaces AjPOutfile outf */
ajint type;
ajint begin;
ajint end;
ajulong len;
ajint i;
ajint j;
float **fmatrix=NULL;
ajint mlen;
float maxfs;
ajint thresh;
float gapopen;
float gapextend;
float opencoeff;
float extendcoeff;
const char *p;
ajulong maxarr = 1000;
ajulong alen;
float *path;
ajint *compass;
size_t stlen;
embInit("prophet", argc, argv);
seqall = ajAcdGetSeqall("sequence");
inf = ajAcdGetInfile("infile");
opencoeff = ajAcdGetFloat("gapopen");
extendcoeff = ajAcdGetFloat("gapextend");
align = ajAcdGetAlign("outfile"); /*JISON replacing outfile */
opencoeff = ajRoundFloat(opencoeff, 8);
extendcoeff = ajRoundFloat(extendcoeff, 8);
substr = ajStrNew();
name = ajStrNew();
mname = ajStrNew();
tname = ajStrNew();
line = ajStrNew();
m = ajStrNewC("");
n = ajStrNewC("");
type = prophet_getType(inf,&tname);
if(!type)
ajFatal("Unrecognised profile/matrix file format");
prophet_read_profile(inf,&pname,&mname,&mlen,&gapopen,&gapextend,&thresh,
&maxfs, &cons);
ajAlignSetMatrixName(align, mname);
AJCNEW(fmatrix, mlen);
for(i=0;i<mlen;++i)
{
AJCNEW(fmatrix[i], AZ);
if(!ajReadlineTrim(inf,&line))
ajFatal("Missing matrix line");
p = ajStrGetPtr(line);
p = ajSysFuncStrtok(p," \t");
for(j=0;j<AZ;++j)
{
sscanf(p,"%f",&fmatrix[i][j]);
p = ajSysFuncStrtok(NULL," \t");
}
}
AJCNEW(path, maxarr);
AJCNEW(compass, maxarr);
while(ajSeqallNext(seqall, &seq))
{
begin = ajSeqallGetseqBegin(seqall);
end = ajSeqallGetseqEnd(seqall);
ajStrAssignC(&name,ajSeqGetNameC(seq));
strand = ajSeqGetSeqCopyS(seq);
ajStrAssignSubC(&substr,ajStrGetPtr(strand),begin-1,end-1);
len = ajStrGetLen(substr);
if(len > (ULONG_MAX/(ajulong)(mlen+1)))
ajFatal("Sequences too big. Try 'supermatcher'");
alen = len*mlen;
if(alen>maxarr)
{
stlen = (size_t) alen;
AJCRESIZE(path,stlen);
AJCRESIZE(compass,stlen);
maxarr=alen;
}
ajStrAssignC(&m,"");
ajStrAssignC(&n,"");
/* JISON used to be
prophet_scan_profile(substr,pname,name,mlen,fmatrix,
outf,cons,opencoeff,
extendcoeff,path,compass,&m,&n,len); */
/* JISON new call and reset align */
prophet_scan_profile(substr,name,pname,mlen,fmatrix,
align,cons,opencoeff,
extendcoeff,path,compass,&m,&n,(ajint)len);
ajAlignReset(align);
ajStrDel(&strand);
}
for(i=0;i<mlen;++i)
AJFREE (fmatrix[i]);
AJFREE (fmatrix);
AJFREE(path);
AJFREE(compass);
ajStrDel(&line);
ajStrDel(&cons);
ajStrDel(&name);
ajStrDel(&pname);
ajStrDel(&mname);
ajStrDel(&tname);
ajStrDel(&substr);
ajStrDel(&m);
ajStrDel(&n);
ajSeqDel(&seq);
ajFileClose(&inf);
ajAlignClose(align);
ajAlignDel(&align);
ajSeqallDel(&seqall);
embExit();
return 0;
}
static void prophet_read_profile(AjPFile inf, AjPStr *name, AjPStr *mname,
ajint *mlen, float *gapopen,
float *gapextend, ajint *thresh,
float *maxs, AjPStr *cons)
{
const char *p;
AjPStr line = NULL;
line = ajStrNew();
if(!ajReadlineTrim(inf,&line))
ajFatal("Premature EOF in profile file");
p = ajStrGetPtr(line);
if(strncmp(p,"Name",4))
ajFatal("Incorrect profile/matrix file format");
p = ajSysFuncStrtok(p," \t");
p = ajSysFuncStrtok(NULL," \t");
ajStrAssignC(name,p);
if(!ajReadlineTrim(inf,&line))
ajFatal("Premature EOF in profile file");
p = ajStrGetPtr(line);
if(strncmp(p,"Matrix",6))
ajFatal("Incorrect profile/matrix file format");
p = ajSysFuncStrtok(p," \t");
p = ajSysFuncStrtok(NULL," \t");
ajStrAssignC(mname,p);
if(!ajReadlineTrim(inf,&line))
ajFatal("Premature EOF in profile file");
p = ajStrGetPtr(line);
if(strncmp(p,"Length",6))
ajFatal("Incorrect profile/matrix file format");
sscanf(p,"%*s%d",mlen);
if(!ajReadlineTrim(inf,&line))
ajFatal("Premature EOF in profile file");
p = ajStrGetPtr(line);
if(strncmp(p,"Max_score",9))
ajFatal("Incorrect profile/matrix file format");
sscanf(p,"%*s%f",maxs);
if(!ajReadlineTrim(inf,&line))
ajFatal("Premature EOF in profile file");
p = ajStrGetPtr(line);
if(strncmp(p,"Threshold",9))
ajFatal("Incorrect profile/matrix file format");
sscanf(p,"%*s%d",thresh);
if(!ajReadlineTrim(inf,&line))
ajFatal("Premature EOF in profile file");
p = ajStrGetPtr(line);
if(strncmp(p,"Gap_open",8))
ajFatal("Incorrect profile/matrix file format");
sscanf(p,"%*s%f",gapopen);
if(!ajReadlineTrim(inf,&line))
ajFatal("Premature EOF in profile file");
p = ajStrGetPtr(line);
if(strncmp(p,"Gap_extend",10))
ajFatal("Incorrect profile/matrix file format");
sscanf(p,"%*s%f",gapextend);
if(!ajReadlineTrim(inf,&line))
ajFatal("Premature EOF in profile file");
p = ajStrGetPtr(line);
if(strncmp(p,"Consensus",9))
ajFatal("Incorrect profile/matrix file format");
p = ajSysFuncStrtok(p," \t\n");
p = ajSysFuncStrtok(NULL," \t\n");
ajStrAssignC(cons,p);
ajStrDel(&line);
return;
}
int main(int argc, char **argv)
{
AjPSeqall seqall;
AjPSeq seq = NULL;
AjPFile outf = NULL;
AjPStr strand = NULL;
AjPStr substr = NULL;
AjPFeattabOut featout;
AjPFeattable feattable=NULL;
ajint begin;
ajint end;
ajint len;
ajint score;
embInit("cpgreport",argc,argv);
seqall = ajAcdGetSeqall("sequence");
score = ajAcdGetInt("score");
outf = ajAcdGetOutfile("outfile");
featout = ajAcdGetFeatout("outfeat");
substr = ajStrNew();
while(ajSeqallNext(seqall, &seq))
{
if (!feattable)
feattable = ajFeattableNewDna(ajSeqGetNameS(seq));
begin = ajSeqallGetseqBegin(seqall);
end = ajSeqallGetseqEnd(seqall);
strand = ajSeqGetSeqCopyS(seq);
ajStrFmtUpper(&strand);
ajStrAssignSubC(&substr,ajStrGetPtr(strand),begin-1,end-1);
len=ajStrGetLen(substr);
ajFmtPrintF(outf,"\n\nCPGREPORT of %s from %d to %d\n\n",
ajSeqGetNameC(seq),begin,begin+len-1);
ajFmtPrintF(outf,"Sequence Begin End Score");
ajFmtPrintF(outf," CpG %%CG CG/GC\n");
cpgreport_cpgsearch(outf,0,len,ajStrGetPtr(substr),ajSeqGetNameC(seq),
begin,score,feattable);
ajStrDel(&strand);
}
ajSeqDel(&seq);
ajStrDel(&substr);
ajFileClose(&outf);
ajFeatSortByStart(feattable);
ajFeattableWrite(featout, feattable);
ajFeattableDel(&feattable);
ajFeattabOutDel(&featout);
ajSeqallDel(&seqall);
ajStrDel(&cpgreportSource);
ajStrDel(&cpgreportType);
embExit();
return 0;
}
int main(int argc, char **argv)
{
AjPSeqall seqall;
AjPSeq a;
AjPStr substr;
AjPStr rname;
ajint be;
ajint en;
ajint len;
AjBool unfavoured;
AjBool overlap;
AjBool allpartials;
AjPStr menu;
AjPStr rag;
ajint n = 0;
ajint r = 0;
AjPFile outf = NULL;
AjPReport report = NULL;
AjPFeattable TabRpt = NULL;
AjPStr tmpStr = NULL;
AjPList l;
AjPList pa;
AjPFile mfptr = NULL;
AjBool nterm = ajFalse;
AjBool cterm = ajFalse;
AjBool dorag = ajFalse;
ajint ncomp;
ajint npart;
EmbPPropMolwt *mwdata = NULL;
AjBool mono;
embInit("digest", argc, argv);
seqall = ajAcdGetSeqall("seqall");
menu = ajAcdGetListSingle("menu");
dorag = ajAcdGetBoolean("ragging");
rag = ajAcdGetListSingle("termini");
unfavoured = ajAcdGetBoolean("unfavoured");
overlap = ajAcdGetBoolean("overlap");
allpartials = ajAcdGetBoolean("allpartials");
report = ajAcdGetReport("outfile");
mfptr = ajAcdGetDatafile("mwdata");
mono = ajAcdGetBoolean("mono");
/* obsolete. Can be uncommented in acd file and here to reuse */
/* outf = ajAcdGetOutfile("originalfile"); */
ajStrToInt(menu, &n);
--n;
ajStrToInt(rag, &r);
if(r==2 || r==4)
nterm = ajTrue;
if(r==3 || r==4)
cterm = ajTrue;
mwdata = embPropEmolwtRead(mfptr);
while(ajSeqallNext(seqall, &a))
{
substr = ajStrNew();
be = ajSeqGetBegin(a);
en = ajSeqGetEnd(a);
ajStrAssignSubC(&substr,ajSeqGetSeqC(a),be-1,en-1);
ajStrFmtUpper(&substr);
len = en-be+1;
l = ajListNew();
pa = ajListNew();
rname = ajStrNew();
TabRpt = ajFeattableNewSeq(a);
embPropCalcFragments(ajStrGetPtr(substr),n,&l,&pa,
unfavoured,overlap,
allpartials,&ncomp,&npart,&rname,
nterm, cterm, dorag, mwdata, mono);
if(outf)
ajFmtPrintF(outf,"DIGEST of %s from %d to %d Molwt=%10.3f\n\n",
ajSeqGetNameC(a),be,en,
embPropCalcMolwt(ajSeqGetSeqC(a),0,len-1,mwdata,mono));
if(!ncomp)
{
if(outf)
ajFmtPrintF(outf,
"Is not proteolytically digested using %s\n",
ajStrGetPtr(rname));
}
else
{
if(outf)
{
ajFmtPrintF(outf,"Complete digestion with %s "
"yields %d fragments:\n",
ajStrGetPtr(rname),ncomp);
digest_print_hits(l,outf,be,ajStrGetPtr(substr));
}
ajFmtPrintS(&tmpStr,
"Complete digestion with %S yields %d fragments",
rname,ncomp);
ajReportSetHeaderS(report, tmpStr);
digest_report_hits(TabRpt,l,be, ajStrGetPtr(substr));
ajReportWrite(report, TabRpt, a);
ajFeattableClear(TabRpt);
}
if(overlap && !allpartials && npart)
{
if(outf)
{
ajFmtPrintF(outf,
"\n\nPartial digest with %s yields %d extras.\n",
ajStrGetPtr(rname),npart);
ajFmtPrintF(outf,"Only overlapping partials shown:\n");
digest_print_hits(pa,outf,be,ajStrGetPtr(substr));
}
ajFmtPrintS(&tmpStr,
"\n\nPartial digest with %S yields %d extras.\n",
rname,npart);
ajFmtPrintAppS(&tmpStr,"Only overlapping partials shown:\n");
ajReportSetHeaderS(report, tmpStr);
digest_report_hits(TabRpt, pa,be,ajStrGetPtr(substr));
ajReportWrite(report, TabRpt, a);
ajFeattableClear(TabRpt);
}
if(allpartials && npart)
{
if(outf)
{
ajFmtPrintF(outf,
"\n\nPartial digest with %s yields %d extras.\n",
ajStrGetPtr(rname),npart);
ajFmtPrintF(outf,"All partials shown:\n");
digest_print_hits(pa,outf,be,ajStrGetPtr(substr));
}
ajFmtPrintS(&tmpStr,
"\n\nPartial digest with %S yields %d extras.\n",
rname,npart);
ajFmtPrintAppS(&tmpStr,"All partials shown:\n");
ajReportSetHeaderS(report, tmpStr);
digest_report_hits(TabRpt, pa,be, ajStrGetPtr(substr));
ajReportWrite(report, TabRpt, a);
ajFeattableClear(TabRpt);
}
}
embPropMolwtDel(&mwdata);
ajReportDel(&report);
ajFeattableDel(&TabRpt);
ajSeqDel(&a);
ajSeqallDel(&seqall);
ajStrDel(&rname);
ajStrDel(&substr);
ajListFree(&pa);
ajListFree(&l);
ajStrDel(&menu);
ajStrDel(&rag);
if(outf)
ajFileClose(&outf);
ajFileClose(&mfptr);
ajStrDel(&tmpStr);
embExit();
return 0;
}
