static void acdrelations_readtypefile
(AjPFile inf,
PKtype *T)
{
AjPStr line = NULL;
PKtypedat dattmp = NULL;
AjPList datlist = NULL;
if(!T)
ajFatal("Null arg error 1 in acdrelations_readtypefile");
if(!inf)
ajFatal("Null arg error 3 in acdrelations_readtypefile");
/* Allocate memory */
line = ajStrNew();
datlist = ajListNew();
/* Read data from file */
while(ajReadline(inf,&line))
{
/* Discard comment lines */
if(ajStrPrefixC(line,"#"))
continue;
/* Create object for holding line */
dattmp = ajKtypedatNew();
/* Tokenise line delimited by '|'
Parse first token (value of knowntype: attribute) */
ajStrAssignS(&dattmp->ktype, ajStrParseC(line, "|"));
ajStrRemoveSetC(&dattmp->ktype, "_");
ajStrRemoveWhite(&dattmp->ktype);
/* Parse second token (ACD datatype) */
ajStrAssignS(&dattmp->acdtype, ajStrParseC(NULL, "|"));
/* Parse third token (EDAM relations: value ) */
ajStrAssignS(&dattmp->edam, ajStrParseC(NULL, "|"));
/* Push line onto list */
ajListPushAppend(datlist, dattmp);
}
/* Write PKtype structure */
((*T)->n) = ajListToarray(datlist, (void***) &((*T)->dat));
/* Free memory */
ajStrDel(&line);
ajListFree(&datlist);
return;
}
int main(int argc, char **argv)
{
/* Variable Declarations */
AjPFile inf = NULL;
AjPFile outf = NULL;
AjPStr line = NULL; /* Line from inf */
AjPStr option = NULL;
AjBool doall = AJFALSE;
AjBool doend = AJFALSE;
AjBool doexcess = AJFALSE;
/* ACD File Processing */
embInit("nospace", argc, argv);
inf = ajAcdGetInfile("infile");
outf = ajAcdGetOutfile("outfile");
option = ajAcdGetListSingle("menu");
if(ajStrMatchC(option, "all"))
doall = ajTrue;
else if(ajStrMatchC(option, "end"))
doend = ajTrue;
else if(ajStrMatchC(option, "excess"))
doexcess = ajTrue;
/* Application logic */
line = ajStrNew();
while(ajReadline(inf,&line))
{
if(doall)
ajStrRemoveWhite(&line);
else if(doend)
ajStrTrimWhiteEnd(&line);
else if(doexcess)
ajStrRemoveWhiteExcess(&line);
ajFmtPrintF(outf, "%S\n", line);
}
/* Memory management and exit */
ajFileClose(&inf);
ajFileClose(&outf);
ajStrDel(&line);
ajStrDel(&option);
embExit();
return 0;
}
static void jaspscan_ParseInput(const AjPStr dir, const AjPStr jaspdir,
const AjPStr mats, const AjPStr excl,
ajuint *recurs, AjPList ret)
{
ajuint nm = 0;
ajuint ne = 0;
AjPStr *carr = NULL;
AjPStr *earr = NULL;
AjPFile inf = NULL;
AjPStr line = NULL;
AjPStr comm = NULL;
AjPStr val = NULL;
ajuint i;
ajuint j;
char c;
ajuint rlen = 0;
if(*recurs > JASPSCAN_RECURS)
ajFatal("Too many recursion levels in matrix list files");
line = ajStrNew();
comm = ajStrNew();
if(mats)
{
nm = ajArrCommaList(mats,&carr);
for(i=0; i < nm; ++i)
{
if(ajStrGetCharFirst(carr[i]) != '@')
ajStrFmtUpper(&carr[i]);
if(ajStrMatchC(carr[i],"ALL"))
{
jaspscan_GetFileList(dir, jaspdir, "*", ret);
ajListSortUnique(ret, ajStrVcmp, jaspscan_strdel);
}
else if(ajStrGetCharFirst(carr[i]) == '@')
{
ajStrTrimStartC(&carr[i],"@");
inf = ajFileNewInNameS(carr[i]);
if(!inf)
ajFatal("Cannot open list file %S",carr[i]);
while(ajReadlineTrim(inf,&line))
{
ajStrRemoveWhite(&line);
c = ajStrGetCharFirst(line);
if(c == '#' || c== '!')
continue;
if(ajStrGetLen(comm))
ajStrAppendC(&comm,",");
ajStrFmtUpper(&line);
ajStrAppendS(&comm,line);
}
*recurs += 1;
jaspscan_ParseInput(dir,jaspdir,comm,NULL,recurs,ret);
*recurs -= 1;
ajListSortUnique(ret, ajStrVcmp, jaspscan_strdel);
ajFileClose(&inf);
}
else
{
jaspscan_GetFileList(dir,jaspdir,ajStrGetPtr(carr[i]),ret);
ajListSortUnique(ret, ajStrVcmp, jaspscan_strdel);
}
}
for(i=0; i < nm; ++i)
ajStrDel(&carr[i]);
AJFREE(carr);
}
if(excl)
{
ne = ajArrCommaList(excl,&earr);
for(i=0; i < ne; ++i)
{
if(ajStrGetCharFirst(earr[i]) != '@')
ajStrFmtUpper(&earr[i]);
if(ajStrGetCharFirst(earr[i]) == '@')
{
ajStrTrimStartC(&earr[i],"@");
inf = ajFileNewInNameS(earr[i]);
if(!inf)
ajFatal("Cannot open list file %S",earr[i]);
while(ajReadlineTrim(inf,&line))
{
ajStrRemoveWhite(&line);
c = ajStrGetCharFirst(line);
if(c == '#' || c== '!')
continue;
if(ajStrGetLen(comm))
ajStrAppendC(&comm,",");
ajStrFmtUpper(&line);
ajStrAppendS(&comm,line);
}
*recurs += 1;
jaspscan_ParseInput(dir,jaspdir,NULL,comm,recurs,ret);
*recurs -= 1;
ajListSortUnique(ret, ajStrVcmp, jaspscan_strdel);
ajFileClose(&inf);
}
else
{
ajStrAssignS(&line,earr[i]);
ajStrAppendC(&line,J_EXT);
rlen = ajListGetLength(ret);
for(j=0; j < rlen; ++j)
{
ajListPop(ret,(void **)&val);
if(ajStrSuffixS(val,line))
ajStrDel(&val);
else
ajListPushAppend(ret,(void *)val);
}
}
}
for(i=0; i < ne; ++i)
ajStrDel(&earr[i]);
AJFREE(earr);
}
ajStrDel(&line);
ajStrDel(&comm);
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;
}
/* @funcstatic seqwords_keysearch ********************************************
**
** Search swissprot with terms structure and writes a hitlist structure
**
** @param [r] inf [AjPFile] File pointer to swissprot database
** @param [r] terms [AjPTerms] Terms object pointer
** @param [w] hits [EmbPHitlist*] Hitlist object pointer
**
** @return [AjBool] True on success
** @@
******************************************************************************/
static AjBool seqwords_keysearch(AjPFile inf,
AjPTerms terms,
EmbPHitlist *hits)
{
AjPStr line =NULL; /* Line of text. */
AjPStr id =NULL; /* Line of text. */
AjPStr temp =NULL;
ajint s =0; /* Temp. start of hit value. */
ajint e =0; /* Temp. end of hit value. */
AjPInt start =NULL; /* Array of start of hit(s). */
AjPInt end =NULL; /* Array of end of hit(s). */
ajint nhits =0; /* Number of hits. */
ajint x =0;
AjBool foundkw =ajFalse;
AjBool foundft =ajFalse;
/* Check for valid args. */
if(!inf)
return ajFalse;
/* Allocate strings and arrays. */
line = ajStrNew();
id = ajStrNew();
start = ajIntNew();
end = ajIntNew();
/* Start of main loop. */
while((ajReadlineTrim(inf,&line)))
{
/* Parse the AC line. */
if(ajStrPrefixC(line,"AC"))
{
/* Copy accesion number and remove the ';' from the end. */
ajFmtScanS(line, "%*s %S", &id);
ajStrExchangeCC(&id, ";", "\0");
/* Reset flags & no. hits. */
foundkw=ajFalse;
foundft=ajFalse;
nhits=0;
}
/* Search the description and keyword lines with search terms. */
else if((ajStrPrefixC(line,"DE") || (ajStrPrefixC(line,"KW"))))
{
/*
** Search terms have a leading and trailing space to prevent
** them being found as substrings within other words. To
** catch cases where a DE or KW line begins with a search
** term, we must add a leading and trailing space to line.
** We must first remove punctation from the line to be parsed.
*/
ajStrExchangeSetCC(&line, ".,;:", " ");
ajStrAppendK(&line, ' ');
ajStrInsertC(&line, 0, " ");
for (x = 0; x < terms->N; x++)
/* Search term is found. */
if((ajStrFindCaseS(line, terms->Keywords[x])!=-1))
{
foundkw=ajTrue;
break;
}
}
/* Search the feature table line with search terms. */
else if((ajStrPrefixC(line,"FT DOMAIN")))
{
/*
** Search terms have a leading and trailing space to prevent
** them being found as substrings within other words. To
** catch cases where a FT line ends with a search
** term, we must add a trailing space to line
** We must first remove punctation from the line to be parsed.
*/
ajStrExchangeSetCC(&line, ".,;:", " ");
ajStrAppendK(&line, ' ');
for (x = 0; x < terms->N; x++)
if((ajStrFindCaseS(line, terms->Keywords[x])!=-1))
{
/* Search term is found. */
foundft = ajTrue;
nhits++;
/* Assign start and end of hit. */
ajFmtScanS(line, "%*s %*s %d %d", &s, &e);
ajIntPut(&start, nhits-1, s);
ajIntPut(&end, nhits-1, e);
break;
}
}
/* Parse the sequence. */
else if((ajStrPrefixC(line,"SQ") && ((foundkw == ajTrue) ||
(foundft == ajTrue))))
{
/* Allocate memory for temp. sequence. */
temp = ajStrNew();
/* Read the sequence into hitlist structure. */
while((ajReadlineTrim(inf,&line)) && !ajStrPrefixC(line,"//"))
/* Read sequence line into temp. */
ajStrAppendC(&temp,ajStrGetPtr(line)+3);
/* Clean up temp. sequence. */
ajStrRemoveWhite(&temp);
/*Priority is given to domain (rather than full length) sequence.*/
if(foundft)
{
for(x=0;x<nhits;x++)
{
/* Increment counter of hits for subsequent hits*/
(*hits)->N++;
/* Reallocate memory for array of hits in hitlist
structure. */
AJCRESIZE((*hits)->hits, (*hits)->N);
(*hits)->hits[(*hits)->N-1]=embHitNew();
ajStrAssignC(&(*hits)->hits[(*hits)->N-1]->Model,
"KEYWORD");
/* Assign start and end of hit. */
(*hits)->hits[(*hits)->N-1]->Start = ajIntGet(start, x);
(*hits)->hits[(*hits)->N-1]->End = ajIntGet(end, x);
/* Extract sequence within specified range */
ajStrAssignSubS(&(*hits)->hits[(*hits)->N - 1]->Seq, temp,
(*hits)->hits[(*hits)->N - 1]->Start - 1,
(*hits)->hits[(*hits)->N - 1]->End - 1);
/* Put id into structure */
ajStrAssignRef(&(*hits)->hits[(*hits)->N - 1]->Acc, id);
}
}
else
{
/* Increment counter of hits */
(*hits)->N++;
/* Reallocate memory for array of hits in hitlist structure */
AJCRESIZE((*hits)->hits, (*hits)->N);
(*hits)->hits[(*hits)->N-1]=embHitNew();
ajStrAssignC(&(*hits)->hits[(*hits)->N-1]->Model, "KEYWORD");
/* Extract whole sequence */
ajStrAssignRef(&(*hits)->hits[(*hits)->N - 1]->Seq, temp);
(*hits)->hits[(*hits)->N - 1]->Start = 1;
(*hits)->hits[(*hits)->N - 1]->End =
ajStrGetLen((*hits)->hits[(*hits)->N - 1]->Seq);
/* Put id into structure */
ajStrAssignRef(&(*hits)->hits[(*hits)->N - 1]->Acc, id);
}
/* Free temp. sequence */
ajStrDel(&temp);
}
}
/* Clean up */
ajStrDel(&line);
ajStrDel(&id);
ajIntDel(&start);
ajIntDel(&end);
return ajTrue;
}
int main(int argc, char **argv)
{
AjPList idlist;
AjPList* fieldList = NULL;
AjBool systemsort;
AjBool cleanup;
ajint blastv = 0;
char dbtype = '\0';
ajuint maxindex;
ajuint maxidlen = 0;
ajuint maxlen;
AjPStr version = NULL;
AjPStr seqtype = NULL;
AjPFile elistfile = NULL;
AjPFile* alistfile = NULL;
AjPStr dbname = NULL;
AjPStr release = NULL;
AjPStr datestr = NULL;
AjPStr sortopt = NULL;
void **entryIds = NULL;
AjBool usesrc = AJTRUE;
AjPStr directory;
AjPStr indexdir;
AjPStr filename;
AjPStr exclude;
AjPStr curfilename = NULL;
AjPStr idformat = NULL;
EmbPEntry entry;
PBlastDb db = NULL;
ajuint idCount = 0;
ajuint idDone;
AjPList listTestFiles = NULL;
void ** testFiles = NULL;
ajuint nfiles;
ajuint ifile;
ajuint jfile;
ajuint filesize;
short recsize;
ajuint maxfilelen = 20;
char date[4] =
{
0,0,0,0
};
AjPStr tmpfname = NULL;
AjPStr* fields = NULL;
AjPFile entFile = NULL;
AjPStr* divfiles = NULL;
ajint* maxFieldLen = NULL;
ajuint ifield = 0;
ajuint nfields = 0;
AjPFile logfile = NULL;
ajuint* countField = NULL;
ajuint* fieldTot = NULL;
ajuint idCountFile = 0;
ajuint i = 0;
embInit("dbiblast", argc, argv);
idformat = ajStrNewC("NCBI");
fields = ajAcdGetList("fields");
directory = ajAcdGetDirectoryName("directory");
indexdir = ajAcdGetOutdirName("indexoutdir");
filename = ajAcdGetString("filenames");
exclude = ajAcdGetString("exclude");
dbname = ajAcdGetString("dbname");
release = ajAcdGetString("release");
datestr = ajAcdGetString("date");
systemsort = ajAcdGetBoolean("systemsort");
cleanup = ajAcdGetBoolean("cleanup");
sortopt = ajAcdGetString("sortoptions");
maxindex = ajAcdGetInt("maxindex");
version = ajAcdGetListSingle("blastversion");
seqtype = ajAcdGetListSingle("seqtype");
usesrc = ajAcdGetBoolean("sourcefile");
logfile = ajAcdGetOutfile("outfile");
while(fields[nfields]) /* array ends with a NULL */
nfields++;
if(nfields)
{
AJCNEW(maxFieldLen, nfields);
AJCNEW0(countField, nfields);
AJCNEW0(fieldTot, nfields);
for(ifield=0; ifield < nfields; ifield++)
maxFieldLen[ifield] = (ajint) maxindex * -1;
if(systemsort)
AJCNEW(alistfile, nfields);
else
{
AJCNEW(fieldList, nfields);
for(ifield=0; ifield < nfields; ifield++)
fieldList[ifield] = ajListNew();
}
}
if(ajStrMatchC(datestr, "00/00/00"))
ajFmtPrintS(&datestr, "%D", ajTimeRefTodayFmt("dbindex"));
ajStrRemoveWhite(&dbname); /* used for temp filenames */
embDbiDateSet(datestr, date);
idlist = ajListNew();
if(ajUtilGetBigendian())
readReverse = ajFalse;
else
readReverse = ajTrue;
ajStrToInt(version, &blastv);
dbtype = ajStrGetCharFirst(seqtype);
ajDebug("reading '%S/%S'\n", directory, filename);
ajDebug("writing '%S/'\n", indexdir);
listTestFiles = embDbiFileListExc(directory, filename, exclude);
ajListSort(listTestFiles, ajStrVcmp);
nfiles = ajListToarray(listTestFiles, &testFiles);
if(!nfiles)
ajDie("No input files in '%S' matched filename '%S'",
directory, filename);
embDbiLogHeader(logfile, dbname, release, datestr,
indexdir, maxindex);
embDbiLogFields(logfile, fields, nfields);
embDbiLogSource(logfile, directory, filename, exclude,
(AjPStr*) testFiles, nfiles);
embDbiLogCmdline(logfile);
AJCNEW0(divfiles, nfiles);
/*
** process each input file, one at a time
*/
jfile = 0;
for(ifile=0; ifile < nfiles; ifile++)
{
curfilename = (AjPStr) testFiles[ifile];
if(!dbiblast_blastopenlib(curfilename,
usesrc, blastv, dbtype, &db))
continue; /* could be the wrong file type with "*.*" */
ajDebug("processing filename '%S' ...\n", curfilename);
ajDebug("processing file '%S' ...\n", db->TFile->Name);
ajStrAssignS(&divfiles[jfile], db->TFile->Name);
ajFilenameTrimPath(&divfiles[jfile]);
if(ajStrGetLen(divfiles[jfile]) >= maxfilelen)
maxfilelen = ajStrGetLen(divfiles[jfile]) + 1;
if(systemsort) /* elistfile for entries, alist for fields */
elistfile = embDbiSortOpen(alistfile, jfile,
dbname, fields, nfields);
idCountFile = 0;
for(i=0;i<nfields;i++)
countField[i] = 0;
while((entry=dbiblast_nextblastentry(db, jfile,
idformat, systemsort,
fields,
maxFieldLen,
&maxidlen, countField,
elistfile, alistfile)))
{
idCountFile++;
if(!systemsort) /* save the entry data in lists */
{
embDbiMemEntry(idlist, fieldList, nfields, entry, jfile);
}
}
idCount += idCountFile;
if(systemsort)
{
embDbiSortClose(&elistfile, alistfile, nfields);
/* lost the entry, so can't free it :-) */
}
embDbiLogFile(logfile, curfilename, idCountFile, fields,
countField, nfields);
dbiblast_dbfree(&db);
jfile++;
}
nfiles = jfile;
/*
** write the division.lkp file
*/
embDbiWriteDivision(indexdir, dbname, release, date,
maxfilelen, nfiles, divfiles, NULL);
/*
** Write the entryname.idx index
*/
ajStrAssignC(&tmpfname, "entrynam.idx");
entFile = ajFileNewOutNamePathS(tmpfname, indexdir);
recsize = maxidlen+10;
filesize = 300 + (idCount*(ajint)recsize);
embDbiHeader(entFile, filesize, idCount, recsize, dbname, release, date);
if(systemsort)
idDone = embDbiSortWriteEntry(entFile, maxidlen,
dbname, nfiles, cleanup, sortopt);
else /* save entries in entryIds array */
{
idDone = embDbiMemWriteEntry(entFile, maxidlen,
idlist, &entryIds);
if(idDone != idCount)
ajFatal("Duplicates not allowed for in-memory processing");
}
embDbiHeaderSize(entFile, 300+(idDone*(ajint)recsize), idDone);
ajFileClose(&entFile);
/*
** Write the fields index files
*/
for(ifield=0; ifield < nfields; ifield++)
{
if(maxindex)
maxlen = maxindex;
else
{
if(maxFieldLen[ifield] >= 0)
maxlen = maxFieldLen[ifield];
else
maxlen = - maxFieldLen[ifield];
}
if(systemsort)
fieldTot[ifield] = embDbiSortWriteFields(dbname, release,
date, indexdir,
fields[ifield], maxlen,
nfiles, idCount,
cleanup, sortopt);
else
fieldTot[ifield] = embDbiMemWriteFields(dbname, release,
date, indexdir,
fields[ifield], maxlen,
fieldList[ifield],
entryIds);
}
embDbiLogFinal(logfile,maxindex, maxFieldLen, fields, fieldTot,
nfields, nfiles, idDone, idCount);
if(systemsort)
embDbiRmEntryFile(dbname, cleanup);
ajListMap(idlist, embDbiEntryDelMap, NULL);
ajListFree(&idlist);
AJFREE(entryIds);
ajStrDelarray(&fields);
for(i=0;i<nfields;i++)
{
if(systemsort)
{
ajFileClose(&alistfile[i]);
}
else
{
ajListMap(fieldList[i], embDbiFieldDelMap, NULL);
ajListFree(&fieldList[i]);
}
}
AJFREE(alistfile);
AJFREE(fieldList);
ajStrDel(&version);
ajStrDel(&seqtype);
ajFileClose(&elistfile);
for(i=0;i<nfiles;i++)
{
ajStrDel(&divfiles[i]);
}
AJFREE(countField);
AJFREE(fieldTot);
ajStrDel(&dbname);
ajStrDel(&release);
ajStrDel(&datestr);
ajStrDel(&sortopt);
ajStrDel(&directory);
ajStrDel(&indexdir);
ajStrDel(&filename);
ajStrDel(&exclude);
ajStrDel(&idformat);
ajStrDel(&tmpfname);
AJFREE(maxFieldLen);
ajFileClose(&logfile);
ajListstrFreeData(&listTestFiles);
ajStrDel(&t);
ajStrDel(&id);
ajStrDel(&acc);
ajStrDel(&hline);
ajStrDel(&tmpdes);
ajStrDel(&tmpfd);
ajStrDel(&tmpgi);
ajStrDel(&tmpdb);
ajStrDel(&tmpac);
ajStrDel(&tmpsv);
ajRegFree(&wrdexp);
embDbiEntryDel(&dbiblastEntry);
if(fdl)
{
for(i=0; i < nfields; i++)
ajListFree(&fdl[i]);
AJFREE(fdl);
}
for(i=0;i<nfiles;i++)
{
ajStrDel(&divfiles[i]);
}
AJFREE(divfiles);
AJFREE(testFiles);
embExit();
return 0;
}
int main(int argc, char **argv)
{
AjPList idlist;
AjPList* fieldList = NULL;
AjBool systemsort;
AjBool cleanup;
ajuint maxindex;
ajuint maxidlen = 0;
ajuint maxlen;
AjPFile elistfile = NULL;
AjPFile* alistfile = NULL;
AjPStr dbname = NULL;
AjPStr release = NULL;
AjPStr datestr = NULL;
AjPStr sortopt = NULL;
void **entryIds = NULL;
AjPStr directory;
AjPStr indexdir;
AjPStr filename;
AjPStr exclude;
AjPStr curfilename = NULL;
AjPFile libr=NULL;
AjPStr idformat = NULL;
EmbPEntry entry;
ajuint idtype = 0;
ajuint idCount = 0;
ajuint idDone;
AjPList listInputFiles = NULL;
void ** inputFiles = NULL;
ajuint nfiles;
ajuint ifile;
ajuint filesize;
short recsize;
ajuint maxfilelen = 20;
char date[4] =
{
0,0,0,0
};
AjPStr tmpfname = NULL;
AjPStr* fields = NULL;
AjPFile entFile = NULL;
AjPStr* divfiles = NULL;
AjPRegexp regIdExp = NULL;
ajint* maxFieldLen = NULL;
ajuint ifield = 0;
ajuint nfields = 0;
AjPFile logfile = NULL;
ajuint* countField = NULL;
ajuint* fieldTot = NULL;
ajuint idCountFile = 0;
ajuint i;
embInit("dbifasta", argc, argv);
idformat = ajAcdGetListSingle("idformat");
fields = ajAcdGetList("fields");
directory = ajAcdGetDirectoryName("directory");
indexdir = ajAcdGetOutdirName("indexoutdir");
filename = ajAcdGetString("filenames");
exclude = ajAcdGetString("exclude");
dbname = ajAcdGetString("dbname");
release = ajAcdGetString("release");
datestr = ajAcdGetString("date");
systemsort = ajAcdGetBoolean("systemsort");
cleanup = ajAcdGetBoolean("cleanup");
sortopt = ajAcdGetString("sortoptions");
maxindex = ajAcdGetInt("maxindex");
logfile = ajAcdGetOutfile("outfile");
while(fields[nfields]) /* array ends with a NULL */
nfields++;
if(nfields)
{
AJCNEW(maxFieldLen, nfields);
AJCNEW0(countField, nfields);
AJCNEW0(fieldTot, nfields);
for(ifield=0; ifield < nfields; ifield++)
maxFieldLen[ifield] = (ajint)maxindex * -1;
if(systemsort)
AJCNEW(alistfile, nfields);
else
{
AJCNEW(fieldList, nfields);
for(ifield=0; ifield < nfields; ifield++)
fieldList[ifield] = ajListNew();
}
}
if(ajStrMatchC(datestr, "00/00/00"))
ajFmtPrintS(&datestr, "%D", ajTimeRefTodayFmt("dbindex"));
ajStrRemoveWhite(&dbname); /* used for temp filenames */
embDbiDateSet(datestr, date);
idlist = ajListNew();
regIdExp = dbifasta_getExpr(idformat, &idtype);
ajDebug("reading '%S/%S'\n", directory, filename);
ajDebug("writing '%S/'\n", indexdir);
listInputFiles = embDbiFileListExc(directory, filename, exclude);
ajListSort(listInputFiles, &ajStrVcmp);
nfiles = (ajuint) ajListToarray(listInputFiles, &inputFiles);
if(!nfiles)
ajDie("No input files in '%S' matched filename '%S'",
directory, filename);
embDbiLogHeader(logfile, dbname, release, datestr,
indexdir, maxindex);
embDbiLogFields(logfile, fields, nfields);
embDbiLogSource(logfile, directory, filename, exclude,
(AjPStr*) inputFiles, nfiles);
embDbiLogCmdline(logfile);
AJCNEW0(divfiles, nfiles);
/*
** process each input file, one at a time
*/
for(ifile=0; ifile < nfiles; ifile++)
{
ajStrAssignS(&curfilename,(AjPStr) inputFiles[ifile]);
embDbiFlatOpenlib(curfilename, &libr);
ajFilenameTrimPath(&curfilename);
if(ajStrGetLen(curfilename) >= maxfilelen)
maxfilelen = ajStrGetLen(curfilename) + 1;
ajDebug("processing filename '%S' ...\n", curfilename);
ajDebug("processing file '%F' ...\n", libr);
ajStrAssignS(&divfiles[ifile], curfilename);
if(systemsort) /* elistfile for entries, alist for fields */
elistfile = embDbiSortOpen(alistfile, ifile,
dbname, fields, nfields);
idCountFile = 0;
for(i=0;i<nfields;i++)
countField[i] = 0;
while((entry=dbifasta_NextFlatEntry(libr, ifile,
regIdExp, idtype,
systemsort, fields,
maxFieldLen, &maxidlen,
countField, elistfile,
alistfile)))
{
idCountFile++;
if(!systemsort) /* save the entry data in lists */
embDbiMemEntry(idlist, fieldList, nfields,
entry, ifile);
entry = NULL;
}
idCount += idCountFile;
if(systemsort)
{
embDbiSortClose(&elistfile, alistfile, nfields);
AJFREE(entry);
}
else
{
embDbiEntryDel(&dbifastaGEntry);
}
embDbiLogFile(logfile, curfilename, idCountFile, fields,
countField, nfields);
}
/* write the division.lkp file */
embDbiWriteDivision(indexdir, dbname, release, date,
maxfilelen, nfiles, divfiles, NULL);
/* Write the entryname.idx index */
ajStrAssignC(&tmpfname, "entrynam.idx");
entFile = ajFileNewOutNamePathS(tmpfname, indexdir);
recsize = maxidlen+10;
filesize = 300 + (idCount*(ajint)recsize);
embDbiHeader(entFile, filesize, idCount, recsize, dbname, release, date);
if(systemsort)
idDone = embDbiSortWriteEntry(entFile, maxidlen,
dbname, nfiles, cleanup, sortopt);
else /* save entries in entryIds array */
{
idDone = embDbiMemWriteEntry(entFile, maxidlen,
idlist, &entryIds);
if(idDone != idCount)
ajFatal("Duplicates not allowed for in-memory processing");
}
embDbiHeaderSize(entFile, 300+(idDone*(ajint)recsize), idDone);
ajFileClose(&entFile);
/* Write the fields index files */
for(ifield=0; ifield < nfields; ifield++)
{
if(maxindex)
maxlen = maxindex;
else
{
if(maxFieldLen[ifield] >= 0)
maxlen = maxFieldLen[ifield];
else
maxlen = - maxFieldLen[ifield];
}
if(systemsort)
fieldTot[ifield] = embDbiSortWriteFields(dbname, release,
date, indexdir,
fields[ifield], maxlen,
nfiles, idCount,
cleanup, sortopt);
else
fieldTot[ifield] = embDbiMemWriteFields(dbname, release,
date, indexdir,
fields[ifield], maxlen,
fieldList[ifield],
entryIds);
}
embDbiLogFinal(logfile,maxindex, maxFieldLen, fields, fieldTot,
nfields, nfiles, idDone, idCount);
if(systemsort)
embDbiRmEntryFile(dbname, cleanup);
ajStrDel(&idformat);
ajStrDelarray(&fields);
ajStrDel(&filename);
ajStrDel(&exclude);
ajStrDel(&dbname);
ajStrDel(&release);
ajStrDel(&datestr);
ajStrDel(&sortopt);
ajStrDel(&directory);
ajStrDel(&indexdir);
ajStrDel(&tmpfname);
ajFileClose(&libr);
ajFileClose(&logfile);
for(i=0;i<nfields;i++)
{
if(systemsort)
{
ajFileClose(&alistfile[i]);
}
else
{
ajListMap(fieldList[i], &embDbiFieldDelMap, NULL);
ajListFree(&fieldList[i]);
}
}
AJFREE(alistfile);
AJFREE(fieldList);
AJFREE(maxFieldLen);
AJFREE(countField);
AJFREE(fieldTot);
for(i=0;i<nfiles;i++)
{
ajStrDel(&divfiles[i]);
}
AJFREE(divfiles);
AJFREE(inputFiles);
embDbiEntryDel(&dbifastaGEntry);
ajStrDel(&dbifastaGRline);
ajStrDel(&dbifastaGTmpId);
if(dbifastaGFdl)
{
for(i=0; i < nfields; i++)
ajListFree(&dbifastaGFdl[i]);
AJFREE(dbifastaGFdl);
}
ajListMap(idlist, &embDbiEntryDelMap, NULL);
ajListFree(&idlist);
ajListstrFreeData(&listInputFiles);
AJFREE(entryIds);
ajRegFree(&dbifastaGIdexp);
ajRegFree(&dbifastaGWrdexp);
ajRegFree(®IdExp);
ajStrDel(&dbifastaGTmpAc);
ajStrDel(&dbifastaGTmpSv);
ajStrDel(&dbifastaGTmpGi);
ajStrDel(&dbifastaGTmpDb);
ajStrDel(&dbifastaGTmpDes);
ajStrDel(&dbifastaGTmpFd);
ajStrDel(&curfilename);
embExit();
return 0;
}
int main(int argc, char **argv)
{
/* Global details */
AjBool explain_flag;
AjBool file_flag;
AjPStr* task;
AjBool do_primer;
AjBool do_hybrid;
ajint num_return;
ajint first_base_index;
/* "Sequence" Input Tags */
AjPSeqall sequence;
AjPRange included_region;
AjPRange target;
AjPRange excluded_region;
AjPStr left_input;
AjPStr right_input;
/* Primer details */
AjBool pick_anyway;
AjPFile mispriming_library;
float max_mispriming;
float pair_max_mispriming;
ajint gc_clamp;
ajint opt_size;
ajint min_size;
ajint max_size;
float opt_tm;
float min_tm;
float max_tm;
float max_diff_tm;
float opt_gc_percent;
float min_gc;
float max_gc;
float salt_conc;
float dna_conc;
ajint num_ns_accepted;
float self_any;
float self_end;
ajint max_poly_x;
/* Sequence Quality. These are not (yet) implemented */
/*
AjPFile sequence_quality;
ajint min_quality;
ajint min_end_quality;
ajint quality_range_min;
ajint quality_range_max;
*/
/* Product details */
ajint product_opt_size;
AjPRange product_size_range;
float product_opt_tm;
float product_min_tm;
float product_max_tm;
/* Objective Function Penalty Weights for Primers */
float max_end_stability;
/* these are not (yet) implemented */
/*
float inside_penalty;
float outside_penalty;
*/
/* Primer penalties */
/* these are not (yet) implemented */
/* Internal Oligo "Sequence" Input Tags */
AjPRange internal_oligo_excluded_region;
/* Internal Oligo "Global" Input Tags */
AjPStr internal_oligo_input;
ajint internal_oligo_opt_size;
ajint internal_oligo_min_size;
ajint internal_oligo_max_size;
float internal_oligo_opt_tm;
float internal_oligo_min_tm;
float internal_oligo_max_tm;
float internal_oligo_opt_gc_percent;
float internal_oligo_min_gc;
float internal_oligo_max_gc;
float internal_oligo_salt_conc;
float internal_oligo_dna_conc;
float internal_oligo_self_any;
float internal_oligo_self_end;
ajint internal_oligo_max_poly_x;
AjPFile internal_oligo_mishyb_library;
float internal_oligo_max_mishyb;
/*
ajint internal_oligo_min_quality;
*/
/* Internal Oligo penalties */
/* these are not (yet) implemented */
/* EMBOSS-wrapper-specific stuff */
AjPFile outfile;
/* other variables */
AjPStr result = NULL;
AjPStr strand = NULL;
AjPStr substr = NULL;
AjPSeq seq = NULL;
ajint begin = 0;
ajint end;
FILE* stream;
AjPStr taskstr = NULL;
const AjPStr program = NULL;
/* pipe variables */
int *pipeto; /* pipe to feed the exec'ed program input */
int *pipefrom; /* pipe to get the exec'ed program output */
embInit("eprimer3", argc, argv);
/* Global details */
explain_flag = ajAcdGetBoolean("explainflag");
file_flag = ajAcdGetBoolean("fileflag");
task = ajAcdGetList("task");
do_primer = ajAcdGetToggle("primer");
do_hybrid = ajAcdGetToggle("hybridprobe");
num_return = ajAcdGetInt("numreturn");
first_base_index = ajAcdGetInt("firstbaseindex");
/* "Sequence" Input Tags */
sequence = ajAcdGetSeqall("sequence");
included_region = ajAcdGetRange("includedregion");
target = ajAcdGetRange("targetregion");
excluded_region = ajAcdGetRange("excludedregion");
left_input = ajAcdGetString("forwardinput");
right_input = ajAcdGetString("reverseinput");
/* Primer details */
pick_anyway = ajAcdGetBoolean("pickanyway");
mispriming_library = ajAcdGetInfile("mispriminglibraryfile");
max_mispriming = ajAcdGetFloat("maxmispriming");
pair_max_mispriming = ajAcdGetFloat("pairmaxmispriming");
gc_clamp = ajAcdGetInt("gcclamp");
opt_size = ajAcdGetInt("osize");
min_size = ajAcdGetInt("minsize");
max_size = ajAcdGetInt("maxsize");
opt_tm = ajAcdGetFloat("otm");
min_tm = ajAcdGetFloat("mintm");
max_tm = ajAcdGetFloat("maxtm");
max_diff_tm = ajAcdGetFloat("maxdifftm");
opt_gc_percent = ajAcdGetFloat("ogcpercent");
min_gc = ajAcdGetFloat("mingc");
max_gc = ajAcdGetFloat("maxgc");
salt_conc = ajAcdGetFloat("saltconc");
dna_conc = ajAcdGetFloat("dnaconc");
num_ns_accepted = ajAcdGetInt("numnsaccepted");
self_any = ajAcdGetFloat("selfany");
self_end = ajAcdGetFloat("selfend");
max_poly_x = ajAcdGetInt("maxpolyx");
AJCNEW0(pipeto,2);
AJCNEW0(pipefrom,2);
/* Sequence Quality */
/* these are not (yet) implemented */
/*
sequence_quality = ajAcdGetInfile("sequencequality");
min_quality = ajAcdGetInt("minquality");
min_end_quality = ajAcdGetInt("minendquality");
quality_range_min = ajAcdGetInt("qualityrangemin");
quality_range_max = ajAcdGetInt("qualityrangemax");
*/
/* Product details */
product_opt_size = ajAcdGetInt("psizeopt");
product_size_range = ajAcdGetRange("prange");
product_opt_tm = ajAcdGetFloat("ptmopt");
product_min_tm = ajAcdGetFloat("ptmmin");
product_max_tm = ajAcdGetFloat("ptmmax");
/* Objective Function Penalty Weights for Primers */
max_end_stability = ajAcdGetFloat("maxendstability");
/* these are not (yet) implemented */
/*
inside_penalty = ajAcdGetFloat("insidepenalty");
outside_penalty = ajAcdGetFloat("outsidepenalty");
*/
/* Primer penalties */
/* these are not (yet) implemented */
/* Internal Oligo "Sequence" Input Tags */
internal_oligo_excluded_region = ajAcdGetRange("oexcludedregion");
internal_oligo_input = ajAcdGetString("oligoinput");
/* Internal Oligo "Global" Input Tags */
internal_oligo_opt_size = ajAcdGetInt("osizeopt");
internal_oligo_min_size = ajAcdGetInt("ominsize");
internal_oligo_max_size = ajAcdGetInt("omaxsize");
internal_oligo_opt_tm = ajAcdGetFloat("otmopt");
internal_oligo_min_tm = ajAcdGetFloat("otmmin");
internal_oligo_max_tm = ajAcdGetFloat("otmmax");
internal_oligo_opt_gc_percent = ajAcdGetFloat("ogcopt");
internal_oligo_min_gc = ajAcdGetFloat("ogcmin");
internal_oligo_max_gc = ajAcdGetFloat("ogcmax");
internal_oligo_salt_conc = ajAcdGetFloat("osaltconc");
internal_oligo_dna_conc = ajAcdGetFloat("odnaconc");
internal_oligo_self_any = ajAcdGetFloat("oanyself");
internal_oligo_self_end = ajAcdGetFloat("oendself");
internal_oligo_max_poly_x = ajAcdGetInt("opolyxmax");
internal_oligo_mishyb_library = ajAcdGetInfile("mishyblibraryfile");
internal_oligo_max_mishyb = ajAcdGetFloat("omishybmax");
/*
internal_oligo_min_quality = ajAcdGetInt("oligominquality");
*/
/* Internal Oligo penalties */
/* these are not (yet) implemented */
/* EMBOSS-wrapper-specific stuff */
outfile = ajAcdGetOutfile("outfile");
ajStrRemoveWhite(&left_input);
ajStrRemoveWhite(&right_input);
/*
** OK - we will now try to do a separate fork-exec for each sequence.
*/
result = ajStrNew();
while(ajSeqallNext(sequence, &seq))
{
program = ajAcdGetpathC("primer3_core");
if(!ajSysExecRedirectC(ajStrGetPtr(program),&pipeto,&pipefrom))
ajFatal("eprimer3: Could not exec primer3_core");
stream = eprimer3_start_write(pipeto[1]);
/* send primer3 Primer "Global" parameters */
eprimer3_send_bool(stream, "PRIMER_EXPLAIN_FLAG", explain_flag);
eprimer3_send_bool(stream, "PRIMER_FILE_FLAG", file_flag);
if(do_hybrid)
{
if(!ajStrCmpC(task[0], "1"))
ajStrAssignC(&taskstr, "pick_pcr_primers_and_hyb_probe");
else if(!ajStrCmpC(task[0], "2"))
ajStrAssignC(&taskstr, "pick_left_only");
else if(!ajStrCmpC(task[0], "3"))
ajStrAssignC(&taskstr, "pick_right_only");
else if(!ajStrCmpC(task[0], "4"))
ajStrAssignC(&taskstr, "pick_hyb_probe_only");
if (!do_primer)
ajStrAssignC(&taskstr, "pick_hyb_probe_only");
}
else
{
if(!ajStrCmpC(task[0], "1"))
ajStrAssignC(&taskstr, "pick_pcr_primers");
else if(!ajStrCmpC(task[0], "2"))
ajStrAssignC(&taskstr, "pick_left_only");
else if(!ajStrCmpC(task[0], "3"))
ajStrAssignC(&taskstr, "pick_right_only");
else if(!ajStrCmpC(task[0], "4"))
ajStrAssignC(&taskstr, "pick_hyb_probe_only");
}
eprimer3_send_string(stream, "PRIMER_TASK", taskstr);
eprimer3_send_int(stream, "PRIMER_NUM_RETURN", num_return);
eprimer3_send_int(stream, "PRIMER_FIRST_BASE_INDEX",
first_base_index);
eprimer3_send_bool(stream, "PRIMER_PICK_ANYWAY", pick_anyway);
/* mispriming library may not have been specified */
if(mispriming_library)
eprimer3_send_stringC(stream, "PRIMER_MISPRIMING_LIBRARY",
ajFileGetPrintnameC(mispriming_library));
eprimer3_send_float(stream, "PRIMER_MAX_MISPRIMING",
max_mispriming);
eprimer3_send_float(stream, "PRIMER_PAIR_MAX_MISPRIMING",
pair_max_mispriming);
eprimer3_send_int(stream, "PRIMER_GC_CLAMP", gc_clamp);
eprimer3_send_int(stream, "PRIMER_OPT_SIZE", opt_size);
eprimer3_send_int(stream, "PRIMER_MIN_SIZE", min_size);
eprimer3_send_int(stream, "PRIMER_MAX_SIZE", max_size);
eprimer3_send_float(stream, "PRIMER_OPT_TM", opt_tm);
eprimer3_send_float(stream, "PRIMER_MIN_TM", min_tm);
eprimer3_send_float(stream, "PRIMER_MAX_TM", max_tm);
eprimer3_send_float(stream, "PRIMER_MAX_DIFF_TM", max_diff_tm);
eprimer3_send_float(stream, "PRIMER_OPT_GC_PERCENT",
opt_gc_percent);
eprimer3_send_float(stream, "PRIMER_MIN_GC", min_gc);
eprimer3_send_float(stream, "PRIMER_MAX_GC", max_gc);
eprimer3_send_float(stream, "PRIMER_SALT_CONC", salt_conc);
eprimer3_send_float(stream, "PRIMER_DNA_CONC", dna_conc);
eprimer3_send_int(stream, "PRIMER_NUM_NS_ACCEPTED",
num_ns_accepted);
eprimer3_send_float(stream, "PRIMER_SELF_ANY", self_any);
eprimer3_send_float(stream, "PRIMER_SELF_END", self_end);
eprimer3_send_int(stream, "PRIMER_MAX_POLY_X", max_poly_x);
eprimer3_send_int(stream, "PRIMER_PRODUCT_OPT_SIZE",
product_opt_size);
eprimer3_send_range2(stream, "PRIMER_PRODUCT_SIZE_RANGE",
product_size_range);
eprimer3_send_float(stream, "PRIMER_PRODUCT_OPT_TM",
product_opt_tm);
eprimer3_send_float(stream, "PRIMER_PRODUCT_MIN_TM",
product_min_tm);
eprimer3_send_float(stream, "PRIMER_PRODUCT_MAX_TM",
product_max_tm);
eprimer3_send_float(stream, "PRIMER_MAX_END_STABILITY",
max_end_stability);
/* send primer3 Internal Oligo "Global" parameters */
eprimer3_send_int(stream, "PRIMER_INTERNAL_OLIGO_OPT_SIZE",
internal_oligo_opt_size);
eprimer3_send_int(stream, "PRIMER_INTERNAL_OLIGO_MIN_SIZE",
internal_oligo_min_size);
eprimer3_send_int(stream, "PRIMER_INTERNAL_OLIGO_MAX_SIZE",
internal_oligo_max_size);
eprimer3_send_float(stream, "PRIMER_INTERNAL_OLIGO_OPT_TM",
internal_oligo_opt_tm);
eprimer3_send_float(stream, "PRIMER_INTERNAL_OLIGO_MIN_TM",
internal_oligo_min_tm);
eprimer3_send_float(stream, "PRIMER_INTERNAL_OLIGO_MAX_TM",
internal_oligo_max_tm);
eprimer3_send_float(stream, "PRIMER_INTERNAL_OLIGO_OPT_GC_PERCENT",
internal_oligo_opt_gc_percent);
eprimer3_send_float(stream, "PRIMER_INTERNAL_OLIGO_MIN_GC",
internal_oligo_min_gc);
eprimer3_send_float(stream, "PRIMER_INTERNAL_OLIGO_MAX_GC",
internal_oligo_max_gc);
eprimer3_send_float(stream, "PRIMER_INTERNAL_OLIGO_SALT_CONC",
internal_oligo_salt_conc);
eprimer3_send_float(stream, "PRIMER_INTERNAL_OLIGO_DNA_CONC",
internal_oligo_dna_conc);
eprimer3_send_float(stream, "PRIMER_INTERNAL_OLIGO_SELF_ANY",
internal_oligo_self_any);
eprimer3_send_float(stream, "PRIMER_INTERNAL_OLIGO_SELF_END",
internal_oligo_self_end);
eprimer3_send_int(stream, "PRIMER_INTERNAL_OLIGO_MAX_POLY_X",
internal_oligo_max_poly_x);
/*
** internal oligo mishybridising library may not have been
** specified
*/
if(internal_oligo_mishyb_library)
eprimer3_send_stringC(stream,
"PRIMER_INTERNAL_OLIGO_MISHYB_LIBRARY",
ajFileGetPrintnameC(internal_oligo_mishyb_library));
eprimer3_send_float(stream, "PRIMER_INTERNAL_OLIGO_MAX_MISHYB",
internal_oligo_max_mishyb);
/*
** Start sequence-specific stuff
*/
begin = ajSeqallGetseqBegin(sequence) - 1;
end = ajSeqallGetseqEnd(sequence) - 1;
strand = ajSeqGetSeqCopyS(seq);
ajStrFmtUpper(&strand);
ajStrAssignSubC(&substr,ajStrGetPtr(strand), begin, end);
/* send flags to turn on using optimal product size */
eprimer3_send_float(stream, "PRIMER_PAIR_WT_PRODUCT_SIZE_GT",
(float)0.05);
eprimer3_send_float(stream, "PRIMER_PAIR_WT_PRODUCT_SIZE_LT",
(float)0.05);
/* send primer3 Primer "Sequence" parameters */
eprimer3_send_string(stream, "SEQUENCE", substr);
/* if no ID name, use the USA */
if(ajStrMatchC(ajSeqGetNameS(seq),""))
eprimer3_send_string(stream, "PRIMER_SEQUENCE_ID",
ajSeqGetUsaS(seq));
else
eprimer3_send_string(stream, "PRIMER_SEQUENCE_ID",
ajSeqGetNameS(seq));
eprimer3_send_range(stream, "INCLUDED_REGION", included_region,
begin);
eprimer3_send_range(stream, "TARGET", target, begin);
eprimer3_send_range(stream, "EXCLUDED_REGION", excluded_region,
begin);
eprimer3_send_string(stream, "PRIMER_LEFT_INPUT", left_input);
eprimer3_send_string(stream, "PRIMER_RIGHT_INPUT", right_input);
/* send primer3 Internal Oligo "Sequence" parameters */
eprimer3_send_range(stream,
"PRIMER_INTERNAL_OLIGO_EXCLUDED_REGION",
internal_oligo_excluded_region, begin);
eprimer3_send_string(stream, "PRIMER_INTERNAL_OLIGO_INPUT",
internal_oligo_input);
/* end the primer3 input sequence record with a '=' */
eprimer3_send_end(stream);
/* and close the ouput pipe stream */
eprimer3_end_write(stream);
/* read the primer3 output */
eprimer3_read(pipefrom[0], &result);
eprimer3_report(outfile, result, num_return, begin);
ajStrSetClear(&result);
#ifndef WIN32
close(pipeto[1]);
close(pipefrom[0]);
#endif
} /* end of sequence loop */
ajStrDel(&result);
ajSeqDel(&seq);
ajStrDel(&strand);
ajStrDel(&substr);
ajFileClose(&outfile);
ajStrDel(&taskstr);
ajStrDelarray(&task);
ajSeqallDel(&sequence);
ajSeqDel(&seq);
ajRangeDel(&included_region);
ajRangeDel(&target);
ajRangeDel(&excluded_region);
ajRangeDel(&product_size_range);
ajRangeDel(&internal_oligo_excluded_region);
ajStrDel(&left_input);
ajStrDel(&right_input);
ajStrDel(&internal_oligo_input);
AJFREE(pipeto);
AJFREE(pipefrom);
ajFileClose(&mispriming_library);
embExit();
return 0;
}
/* @prog ssematch ***********************************************************
**
** Searches a DCF file (domain classification file) for secondary structure
** matches.
**
****************************************************************************/
int main(int argc, char **argv)
{
/* Variables declarations */
AjPFile dcfin = NULL; /* Domain classification file */
AjPFile ssin = NULL; /* Secondary structure input file*/
AjPMatrixf matrix = NULL; /* Substitution matrix */
AjPFile out_ss = NULL; /* For ss top matches*/
AjPFile out_se = NULL; /* For se top matches*/
AjPFile outfile = NULL; /* Output file*/
AjPFile logf = NULL; /* Log file */
float gapopen_sss = 0.0; /* Gap insertion penalty */
float gapopen_sse = 0.0;
float gapopen = 0.0;
float gapextend_sss = 0.0; /* Gap extension penalty */
float gapextend_sse = 0.0;
float gapextend = 0.0;
ajint max_hits = 0; /* number of top alignments to display*/
ajint mode = 0;
ajint x = 0;
AjPScop temp_scop = NULL; /* scop object pointer*/
AjPList scop_list = NULL; /* list of scop objects for entire domain
classification file */
AjIList iter = NULL;
AjPStr msg = NULL; /* Pointer to String used for messages */
AjPStr line = NULL;
AjPStr qse = NULL; /* query secondary structure elements*/
AjPStr qss = NULL; /* query secondary structure (by residue)*/
AjPSeq q3se = NULL; /* query secondary structure elements, 3-letter
code*/
AjPSeq q3ss = NULL; /* query secondary structure
(by residue), 3-letter code*/
AjPSeq query = NULL;
/* Read data from acd */
embInitPV("ssematch",argc,argv,"DOMAINATRIX",VERSION);
dcfin = ajAcdGetInfile("dcfinfile");
ssin = ajAcdGetInfile("ssinfile");
max_hits = ajAcdGetInt("maxhits");
matrix = ajAcdGetMatrixf("datafile");
gapopen_sss = ajAcdGetFloat("rgapopen");
gapextend_sss = ajAcdGetFloat("rgapextend");
gapopen_sse = ajAcdGetFloat("egapopen");
gapextend_sse = ajAcdGetFloat("egapextend");
out_ss = ajAcdGetOutfile("outssfile");
out_se = ajAcdGetOutfile("outsefile");
logf = ajAcdGetOutfile("logfile");
/* Create list of scop objects for entire input domain classification file. */
scop_list = ajListNew();
while((temp_scop = (ajScopReadCNew(dcfin, "*"))))
ajListPushAppend(scop_list,temp_scop);
/* Error handing if domain classification file was empty. */
if(!(ajListGetLength(scop_list)))
{
ajWarn("Empty list from scop input file\n");
ajFileClose(&dcfin);
ajFileClose(&ssin);
ajMatrixfDel(&matrix);
ajFileClose(&out_ss);
ajFileClose(&out_se);
ajFileClose(&logf);
while(ajListPop(scop_list, (void *) &temp_scop))
ajScopDel(&temp_scop);
ajListFree(&scop_list);
ajListIterDel(&iter);
ajExit();
return 1;
}
/* Error handling in case of empty query file. */
if(ssin == NULL)
{
ajWarn("Empty secondary structure query file\n");
ajFileClose(&dcfin);
ajFileClose(&ssin);
ajMatrixfDel(&matrix);
ajFileClose(&out_ss);
ajFileClose(&out_se);
ajFileClose(&logf);
while(ajListPop(scop_list, (void *) &temp_scop))
ajScopDel(&temp_scop);
ajListFree(&scop_list);
ajListIterDel(&iter);
ajExit();
return 1;
}
/* Assign sequences in query file to sequence objects. */
qse = ajStrNew();
qss = ajStrNew();
while(ajReadlineTrim(ssin,&line))
{
/* SE string */
if(ajStrPrefixC(line,"SE"))
{
ajFmtScanS(line, "%*s %S", &qse);
/* Convert this string to 3-letter code & then convert to AjPSeq
object. */
q3se = ssematch_convertbases(qse);
}
/* SS string */
else if(ajStrPrefixC(line,"SS"))
{
while((ajReadlineTrim(ssin,&line)) && !ajStrPrefixC(line,"XX"))
ajStrAppendS(&qss,line);
ajStrRemoveWhite(&qss);
/* Convert this string to 3-letter code & then to AjPSeq object. */
q3ss = ssematch_convertbases(qss);
}
}
/* For se & then for ss, modes 0 & 1. */
for(mode = 0; mode <= 1; mode++)
{
/* Assign arguments for alignment function. */
if (mode == 0)
{
query = q3se;
gapopen = gapopen_sse;
gapextend = gapextend_sse;
outfile = out_se;
}
else if(mode == 1)
{
query = q3ss;
gapopen = gapopen_sss;
gapextend = gapextend_sss;
outfile = out_ss;
}
/* Iterate through list of scop objects & calculate alignment scores. */
iter=ajListIterNew(scop_list);
while((temp_scop=(AjPScop)ajListIterGet(iter)))
{
/* The function extracts the se (mode 0) or ss (mode 1) subject
sequences from the scop object, performs a Needleman-Wunsch
global alignment with the query sequence & allocates the score
to the Score element of the scop object*/
if(!(ssematch_NWScore(temp_scop , query, mode, matrix, gapopen, gapextend)))
{
ajFmtPrintF(logf, "%-15s\n", "ALIGNMENT");
ajFmtPrintF(logf, "Could not align sequence in scop domain %S\n ",
temp_scop->Entry);
ajFmtPrintS(&msg, "Could not align sequence in scop domain %S\n ",
temp_scop->Entry);
ajWarn(ajStrGetPtr(msg));
continue;
}
}
ajListIterDel(&iter);
temp_scop = NULL;
/* Sort list of Scop objects by Score */
ajListSort(scop_list, ssematch_CompScoreInv);
iter=ajListIterNew(scop_list);
/* Write top-scoring hits to outfile. */
for(x=0; x < max_hits; x++ )
{
temp_scop=(AjPScop)ajListIterGet(iter);
/* Print score to output file. */
ajFmtPrintF(outfile, "XX ALIGNMENT SCORE %.3f\nXX\n", temp_scop->Score);
/* Could also write alignment - later modification. */
if(!ajScopWrite(outfile, temp_scop))
ajFatal("Could not write output file %S\n", outfile);
}
ajListIterDel(&iter);
temp_scop = NULL;
}
/* Memoryt management. */
ajFileClose(&dcfin);
ajFileClose(&ssin);
ajMatrixfDel(&matrix);
ajFileClose(&out_ss);
ajFileClose(&out_se);
ajFileClose(&logf);
while(ajListPop(scop_list, (void *) &temp_scop))
ajScopDel(&temp_scop);
ajListFree(&scop_list);
ajStrDel(&msg);
ajStrDel(&line);
ajStrDel(&qse);
ajStrDel(&qss);
ajSeqDel(&q3se);
ajSeqDel(&q3ss);
ajExit();
return 0;
}
static ajint silent_restr_read(AjPList *relist,const AjPStr enzymes)
{
EmbPPatRestrict rptr = NULL;
AjPFile fin = NULL;
AjPStr refilename = NULL;
register ajint RStotal = 0;
PRinfo rinfo = NULL;
AjBool isall = ajFalse;
ajint ne = 0;
ajint i;
AjPStr *ea = NULL;
refilename = ajStrNewC("REBASE/embossre.enz");
rptr = embPatRestrictNew();
*relist = ajListNew();
fin = ajDatafileNewInNameS(refilename);
if(!fin)
ajFatal("Aborting...restriction file '%S' not found", refilename);
/* Parse the user-selected enzyme list */
if(!enzymes)
isall = ajTrue;
else
{
ne = ajArrCommaList(enzymes,&ea);
for(i=0;i<ne;++i)
ajStrRemoveWhite(&ea[i]);
if(ajStrMatchCaseC(ea[0],"all"))
isall = ajTrue;
else
isall = ajFalse;
}
while(!ajFileIsEof(fin))
{
if(!embPatRestrictReadEntry(rptr,fin))
continue;
if(!isall)
{
for(i=0;i<ne;++i)
if(ajStrMatchCaseS(ea[i],rptr->cod))
break;
if(i==ne)
continue;
}
AJNEW(rinfo);
/* reading in RE info into rinfo from EmbPPatRestrict structure */
rinfo->code = ajStrNewC(ajStrGetPtr(rptr->cod));
rinfo->site = ajStrNewC(ajStrGetPtr(rptr->pat));
rinfo->ncuts = rptr->ncuts;
rinfo->cut1 = rptr->cut1;
rinfo->cut2 = rptr->cut2;
rinfo->cut3 = rptr->cut3;
rinfo->cut4 = rptr->cut4;
ajListPush(*relist,(void *)rinfo);
RStotal++;
}
for(i=0;i<ne;++i)
ajStrDel(&ea[i]);
AJFREE(ea);
embPatRestrictDel(&rptr);
ajFileClose(&fin);
ajStrDel(&refilename);
return RStotal;
}
static AjBool dbxflat_ParseFastq(EmbPBtreeEntry entry, AjPFile inf)
{
AjPStr line = NULL;
ajlong pos = 0L;
ajuint seqlen = 0;
ajuint qlen = 0;
AjPStr tmpfd = NULL;
AjPStr str = NULL;
AjPStr de = NULL;
AjBool ok;
if(!dbxflat_wrdexp)
dbxflat_wrdexp = ajRegCompC("([A-Za-z0-9.:=]+)");
line = ajStrNewC("");
pos = ajFileResetPos(inf);
if(!ajReadlineTrim(inf,&line))
{
ajStrDel(&line);
return ajFalse;
}
/* first line of entry */
if(!ajStrPrefixC(line,"@"))
return ajFalse;
entry->fpos = pos;
ajStrCutStart(&line, 1);
ajStrExtractFirst(line, &de, &entry->id);
if(desfield && ajStrGetLen(de))
{
while(ajRegExec(dbxflat_wrdexp,de))
{
ajRegSubI(dbxflat_wrdexp, 1, &tmpfd);
str = ajStrNew();
ajStrAssignS(&str,tmpfd);
ajListPush(desfield->data,(void *)str);
ajRegPost(dbxflat_wrdexp, &de);
}
}
/* now read sequence */
ok = ajReadlineTrim(inf,&line);
while(ok && !ajStrPrefixC(line, "+"))
{
ajStrRemoveWhite(&line);
seqlen += MAJSTRGETLEN(line);
ok = ajReadlineTrim(inf,&line);
}
if(!ok)
return ajFalse;
ok = ajReadlineTrim(inf,&line);
while(ok)
{
qlen += MAJSTRGETLEN(line);
if(qlen < seqlen)
ok = ajReadlineTrim(inf,&line);
else
ok = ajFalse;
}
ajStrDel(&de);
ajStrDel(&tmpfd);
ajStrDel(&line);
return ajTrue;
}
/* @funcstatic acdrelations_procacdfile ***************************************
**
** Process ACD file and write new ACD file with new relations: attributes
** added (replaced if necessary).
**
** @param [r] inf [AjPFile] ACD input file
** @param [r] outf [AjPFile] ACD output file
** @param [r] P [PEdam] edam object
** @param [r] T [PKtype] ktype object
** @return [void]
** @@
******************************************************************************/
static void acdrelations_procacdfile
(AjPFile inf,
AjPFile outf,
PEdam P,
PKtype T)
{
AjPStr line = NULL;
AjPStr tok = NULL;
AjPStr acdtype = NULL;
AjPStr strtmp = NULL;
AjPList strlist = NULL;
AjPStr *strarr = NULL;
ajint nstr = 0;
/* Allocate memory */
line = ajStrNew();
tok = ajStrNew();
acdtype = ajStrNew();
strlist = ajListstrNew();
/* Read next line */
while(ajReadline(inf,&line))
{
ajFmtScanS(line, "%S", &tok);
/* Write application definition or section definition out as-is */
if(ajStrMatchC(tok, "application:") ||
ajStrMatchC(tok, "section:"))
{
ajFmtPrintF(outf, "%S", line);
while(ajReadline(inf,&line))
{
ajFmtPrintF(outf, "%S", line);
ajFmtScanS(line, "%S", &tok);
if(ajStrMatchC(tok, "]"))
break;
}
}
/* Write variables, endsection definitions and comments out as-is */
else if(ajStrMatchC(tok, "variable:") ||
ajStrMatchC(tok, "endsection:") ||
ajStrMatchC(tok, "#"))
ajFmtPrintF(outf, "%S", line);
/* Write out blank lines as-is */
else if (!ajFmtScanS(line, "%S", &tok))
ajFmtPrintF(outf, "%S", line);
/* Process data definition */
else
/* First line of data definition */
{
/* Process and write datatype line */
ajFmtPrintF(outf, "%S", line);
ajFmtScanS(line, "%S", &acdtype);
ajStrRemoveSetC(&acdtype, ":");
/* Process subsequent (attribute) lines */
while(ajReadline(inf,&line))
{
strtmp = ajStrNew();
ajStrAssignS(&strtmp, line);
ajStrRemoveWhite(&strtmp);
ajListstrPushAppend(strlist, strtmp);
ajFmtScanS(line, "%S", &tok);
/* Reached end of data definition */
if(ajStrMatchC(tok, "]"))
{
nstr = ajListstrToarray(strlist, &strarr);
/* Write relations: line */
acdrelations_writerelations(outf, acdtype, strarr, nstr, P, T);
AJFREE(strarr);
ajListstrFreeData(&strlist);
strlist = ajListstrNew();
ajFmtPrintF(outf, "%S", line);
break;
}
/* Ignore existing relations: lines */
else if(ajStrMatchC(tok, "relations:"))
continue;
ajFmtPrintF(outf, "%S", line);
}
}
}
/* Free memory */
ajStrDel(&line);
ajStrDel(&tok);
ajStrDel(&acdtype);
ajListstrFreeData(&strlist);
return;
}
static void acdrelations_readdatfile
(AjPFile inf,
PEdam *P)
{
AjPStr line = NULL;
const AjPStr tok = NULL;
const AjPStr subtok = NULL;
AjPStr strtmp = NULL;
AjPList strlist = NULL;
AjPStr acdtype = NULL;
AjPStr relations = NULL;
PEdamdat dattmp = NULL;
AjPList datlist = NULL;
if(!P)
ajFatal("Null arg error 1 in acdrelations_readdatfile");
if(!inf)
ajFatal("Null arg error 3 in acdrelations_readdatfile");
/* Allocate memory */
line = ajStrNew();
acdtype = ajStrNew();
relations = ajStrNew();
datlist = ajListNew();
/* Read data from file */
while(ajReadline(inf,&line))
{
/* Discard comment lines */
if(ajStrPrefixC(line,"#"))
continue;
/* Tokenise line, delimited by '|'.
Parse first token (ACD datatype ) */
ajStrAssignS(&acdtype, ajStrParseC(line, "|"));
/* Parse second token (EDAM relations: value ) */
ajStrAssignS(&relations, ajStrParseC(NULL, "|"));
/* Parse third token (attribute:value strings block) */
tok = ajStrParseC(NULL, "|");
/* Create new string list */
strlist = ajListstrNew();
/* Tokenise third token itself into tokens delimited by ' ' (space)
Parse tokens (individual attribute:value strings)*/
if((subtok=ajStrParseC(tok, ";")))
{
strtmp = ajStrNew();
ajStrAssignS(&strtmp, subtok);
ajStrRemoveWhite(&strtmp);
ajListstrPushAppend(strlist, strtmp);
while((subtok=ajStrParseC(NULL, ";")))
{
strtmp = ajStrNew();
ajStrAssignS(&strtmp, subtok);
ajStrRemoveWhite(&strtmp);
ajListstrPushAppend(strlist, strtmp);
}
}
/* Write PEdamdat structure & push onto list */
dattmp = ajEdamdatNew();
ajStrRemoveWhite(&acdtype);
ajStrAssignS(&dattmp->acdtype, acdtype);
ajStrAssignS(&dattmp->edam, relations);
dattmp->n = ajListstrToarray(strlist, &dattmp->acdattr);
ajListPushAppend(datlist, dattmp);
/* Clear nodes (but not strings) from string list */
ajListstrFree(&strlist);
}
/* Write PEdam structure */
((*P)->n) = ajListToarray(datlist, (void***) &((*P)->dat));
/* Free memory */
ajStrDel(&line);
ajStrDel(&acdtype);
ajStrDel(&relations);
ajListFree(&datlist);
return;
}
int main(int argc, char **argv)
{
const char *codons[]=
{
"TAG","TAA","TGA","GCG","GCA","GCT","GCC","TGT", /* 00-07 */
"TGC","GAT","GAC","GAA","GAG","TTT","TTC","GGT", /* 08-15 */
"GGG","GGA","GGC","CAT","CAC","ATA","ATT","ATC", /* 16-23 */
"AAA","AAG","CTA","TTA","TTG","CTT","CTC","CTG", /* 24-31 */
"ATG","AAT","AAC","CCG","CCA","CCT","CCC","CAA", /* 32-39 */
"CAG","CGT","CGA","CGC","AGG","AGA","CGG","TCG", /* 40-47 */
"TCA","AGT","TCT","TCC","AGC","ACG","ACT","ACA", /* 48-55 */
"ACC","GTA","GTT","GTC","GTG","TGG","TAT","TAC" /* 56-63 */
};
const char *aa=
"***AAAACCDDEEFFGGGGHHIIIKKLLLLLLMNNPPPPQQRRRRRRSSSSSSTTTTVVVVWYY";
AjPFile inf = NULL;
AjPFile outf = NULL;
char *entryname = NULL;
AjPStr fname = NULL;
AjPStr key = NULL;
AjPStr tmpkey = NULL;
AjBool allrecords = AJFALSE;
AjPTable table = NULL;
ajint i = 0;
ajint j = 0;
ajint k = 0;
ajint x = 0;
ajint savecount[3];
AjPStr *keyarray = NULL;
CutgPValues *valarray = NULL;
AjPCod codon = NULL;
ajint sum = 0;
char c;
AjPList flist = NULL;
AjPFile logf = NULL;
AjPStr entry = NULL;
AjPStr baseentry = NULL;
AjPStr wild = NULL;
AjPStr division = NULL;
AjPStr release = NULL;
AjPStr wildspecies = NULL;
CutgPValues value = NULL;
AjPStr docstr = NULL;
AjPStr species = NULL;
AjPStr filename = NULL;
ajint nstops;
embInit("cutgextract",argc,argv);
tmpkey = ajStrNew();
fname = ajStrNew();
table = ajTablestrNewLen(TABLE_ESTIMATE);
flist = ajAcdGetDirlist("directory");
wild = ajAcdGetString("wildspec");
release = ajAcdGetString("release");
logf = ajAcdGetOutfile("outfile");
wildspecies = ajAcdGetString("species");
filename = ajAcdGetString("filename");
allrecords = ajAcdGetBoolean("allrecords");
ajStrInsertC(&release, 0, "CUTG");
ajStrRemoveWhite(&release);
while(ajListPop(flist,(void **)&entry))
{
ajStrAssignS(&baseentry, entry);
ajFilenameTrimPath(&baseentry);
ajDebug("Testing file '%S'\n", entry);
if(!ajStrMatchWildS(baseentry,wild))
{
ajStrDel(&entry);
continue;
}
ajDebug("... matched wildcard '%S'\n", wild);
inf = ajFileNewInNameS(entry);
if(!inf)
ajFatal("cannot open file %S",entry);
ajFmtPrintS(&division, "%F", inf);
ajFilenameTrimAll(&division);
while((entryname = cutgextract_next(inf, wildspecies,
&species, &docstr)))
{
if(ajStrGetLen(filename))
ajStrAssignS(&tmpkey,filename);
else
ajStrAssignC(&tmpkey,entryname);
/* See if organism is already in the table */
value = ajTableFetch(table,tmpkey);
if(!value) /* Initialise */
{
key = ajStrNewS(tmpkey);
AJNEW0(value);
ajStrAssignS(&value->Species,species);
ajStrAssignS(&value->Division, division);
ajTablePut(table,(void *)key,(void *)value);
}
for(k=0;k<3;k++)
savecount[k] = value->Count[k];
nstops = cutgextract_readcodons(inf,allrecords, value->Count);
if(nstops < 1)
{
value->Skip++;
continue;
}
value->CdsCount++;
if(nstops>1)
{
value->CdsCount += (nstops - 1);
value->Warn++;
ajWarn("Found %d stop codons (%d %d %d) for CDS '%S'",
nstops,
value->Count[0] - savecount[0],
value->Count[1] - savecount[1],
value->Count[2] - savecount[2],
cutgextractSavepid);
}
}
ajStrDel(&entry);
ajFileClose(&inf);
}
ajTableToarrayKeysValues(table,(void***) &keyarray, (void***) &valarray);
i = 0;
while(keyarray[i])
{
key = keyarray[i];
value = (CutgPValues) valarray[i++];
codon = ajCodNew();
sum = 0;
for(j=0;j<CODONS;++j)
{
sum += value->Count[j];
x = ajCodIndexC(codons[j]);
codon->num[x] = value->Count[j];
c = aa[j];
if(c=='*')
codon->aa[x] = 27;
else
codon->aa[x] = c-'A';
}
ajCodCalcUsage(codon,sum);
ajStrAppendC(&key, ".cut");
if(allrecords)
{
if(value->Warn)
ajFmtPrintF(logf, "Writing %S CDS: %d Warnings: %d\n",
key, value->CdsCount, value->Warn);
else
ajFmtPrintF(logf, "Writing %S CDS: %d\n",
key, value->CdsCount);
}
else
{
if(value->Skip)
ajFmtPrintF(logf, "Writing %S CDS: %d Skipped: %d\n",
key, value->CdsCount, value->Skip);
else
ajFmtPrintF(logf, "Writing %S CDS: %d\n",
key, value->CdsCount);
}
ajFmtPrintS(&fname,"CODONS/%S",key);
outf = ajDatafileNewOutNameS(fname);
if(!outf)
ajFatal("Cannot open output file %S",fname);
ajCodSetNameS(codon, key);
ajCodSetSpeciesS(codon, value->Species);
ajCodSetDivisionS(codon, value->Division);
ajCodSetReleaseS(codon, release);
ajCodSetNumcds(codon, value->CdsCount);
ajCodSetNumcodons(codon, sum);
ajCodWrite(codon, outf);
ajFileClose(&outf);
ajStrDel(&key);
ajStrDel(&value->Division);
ajStrDel(&value->Doc);
ajStrDel(&value->Species);
AJFREE(value);
ajCodDel(&codon);
}
AJFREE(keyarray);
AJFREE(valarray);
ajTableFree(&table);
ajListFree(&flist);
ajStrDel(&wild);
ajStrDel(&release);
ajStrDel(&wildspecies);
ajStrDel(&filename);
ajFileClose(&logf);
ajStrDel(&cutgextractSavepid);
ajStrDel(&cutgextractLine);
ajStrDel(&cutgextractOrg);
ajStrDel(&fname);
ajStrDel(&tmpkey);
ajStrDel(&species);
ajStrDel(&docstr);
ajStrDel(&division);
ajStrDel(&baseentry);
embExit();
return 0;
}