AjBool gFormatGenbank(AjPSeq seq, AjPStr *inseq){
AjPSeqout seqout = NULL;
AjPFeattabOut featout = NULL;
AjPFeattable feat = NULL;
AjPStr seqline = NULL;
AjPStr featline = NULL;
AjPFile seqfile = NULL;
AjPFile featfile = NULL;
AjPStr filename = NULL;
gAssignUniqueName(&filename);
feat = ajSeqGetFeatCopy(seq);
if(!feat)
return ajFalse;
seqout = ajSeqoutNew();
if(!ajSeqoutOpenFilename(seqout,filename))
embExitBad();
ajSeqoutSetFormatS(seqout,ajStrNewC("genbank"));
ajSeqoutWriteSeq(seqout,seq);
ajSeqoutClose(seqout);
ajSeqoutDel(&seqout);
seqfile = ajFileNewInNameS(filename);
ajSysFileUnlinkS(filename);
featout = ajFeattabOutNew();
if(!ajFeattabOutOpen(featout,filename))
return ajFalse;
ajFeattableWriteGenbank(featout,feat);
ajFeattableDel(&feat);
//ajFeattabOutDel(&featout);
ajFileClose(&(featout->Handle));
featfile = ajFileNewInNameS(filename);
ajSysFileUnlinkS(filename);
while(ajReadline(seqfile,&seqline)){
if(ajStrMatchC(seqline,"ORIGIN\n")){
while(ajReadline(featfile,&featline)){
ajStrAppendS(inseq, featline);
}
}
ajStrAppendS(inseq, seqline);
}
ajStrDel(&seqline);
ajStrDel(&featline);
ajStrDel(&filename);
ajFileClose(&seqfile);
ajFileClose(&featfile);
return ajTrue;
}
int main(int argc, char **argv) {
// initialize EMBASSY info
embInitPV("kclique", argc, argv, "KBWS", "1.0.9");
struct soap soap;
char* jobid;
char* result;
AjPFile infile;
AjPFile outf;
AjPStr substr;
AjPStr indata = NULL;
AjPStr line = NULL;
infile = ajAcdGetInfile("infile");
outf = ajAcdGetOutfile("outfile");
while (ajReadline(infile, &line)) {
ajStrAppendS(&indata, line);
ajStrAppendC(&indata, "\n");
}
soap_init(&soap);
char* in0;
in0 = ajCharNewS(indata);
if ( soap_call_ns1__runClique( &soap, NULL, NULL, in0, &jobid ) == SOAP_OK ) {
} else {
soap_print_fault(&soap, stderr);
}
int check = 0;
while ( check == 0 ) {
if ( soap_call_ns1__checkStatus( &soap, NULL, NULL, jobid, &check ) == SOAP_OK ) {
} else {
soap_print_fault(&soap, stderr);
}
sleep(3);
}
if ( soap_call_ns1__getResult( &soap, NULL, NULL, jobid, &result ) == SOAP_OK ) {
substr = ajStrNewC(result);
ajFmtPrintF(outf,"%S\n",substr);
} else {
soap_print_fault(&soap, stderr);
}
soap_destroy(&soap);
soap_end(&soap);
soap_done(&soap);
ajFileClose(&infile);
ajFileClose(&outf);
ajStrDel(&substr);
embExit();
return 0;
}
void embIepPkRead(double *pK)
{
AjPFile inf = NULL;
AjPStr line;
const char *p;
double amino = 8.6;
double carboxyl = 3.6;
char ch;
ajint i;
inf = ajDatafileNewInNameC(PKFILE);
if(!inf)
ajFatal("%s file not found",PKFILE);
for(i=0;i<EMBIEPSIZE;++i)
pK[i]=0.0;
line = ajStrNew();
while(ajReadline(inf,&line))
{
p = ajStrGetPtr(line);
if(*p=='#' || *p=='!' || *p=='\n' || *p=='\r')
continue;
if(ajStrPrefixCaseC(line,"Amino"))
{
p = ajSysFuncStrtok(p," \t\n\r");
p = ajSysFuncStrtok(NULL," \t\n\r");
sscanf(p,"%lf",&amino);
continue;
}
if(ajStrPrefixCaseC(line,"Carboxyl"))
{
p = ajSysFuncStrtok(p," \t\n\r");
p = ajSysFuncStrtok(NULL," \t\n\r");
sscanf(p,"%lf",&carboxyl);
continue;
}
p = ajSysFuncStrtok(p," \t\n\r");
ch = ajSysCastItoc(toupper((ajint)*p));
p = ajSysFuncStrtok(NULL," \t\n\r");
sscanf(p,"%lf",&pK[ajBasecodeToInt(ch)]);
}
pK[EMBIEPAMINO] = amino;
pK[EMBIEPCARBOXYL] = carboxyl;
ajStrDel(&line);
ajFileClose(&inf);
return;
}
AjBool gHttpGetBinS(AjPStr url, AjPFile* outf)
{
AjPFile file = NULL;
AjPStr line = NULL;
AjPStr host = NULL;
AjPStr path = NULL;
AjPStr get = NULL;
ajint port = 80;
ajuint http = 0;
FILE *fp;
AjPRegexp crlf = NULL;
char buf[8];
AjOSysSocket sock;
get = ajStrNew();
ajHttpUrlDeconstruct(url, &port, &host, &path);
while(file==NULL || gHttpRedirect(file, &host, &port, &path))
{
if(ajStrGetCharFirst(path) != '/')
ajStrInsertK(&path, 0, '/');
ajFmtPrintS(&get, "GET http://%S:%d%S HTTP/1.1\r\n", host, port, path);
fp = ajHttpOpen(NULL, host, port, get, &sock);
file = ajFileNewFromCfile(fp);
if(!file)
return ajFalse;
}
ajStrDel(&get);
crlf = ajRegCompC("^\r?\n$");
while(ajReadline(file, &line))
{
if(ajRegExec(crlf, line))
break;
}
while(ajReadbinBinary(file, 1, 1, buf))
{
ajWritebinBinary(*outf, 1, 1, buf);
}
ajFileClose(outf);
ajFileClose(&file);
return ajTrue;
}
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;
}
static void jaspextract_readmatrixlist(AjPTable mtable, const AjPStr directory)
{
const AjPStr datadir = NULL;
AjPStr matrixfile = NULL;
AjPFile inf = NULL;
AjPStr line = NULL;
AjPStr key = NULL;
AjPStr value = NULL;
matrixfile = ajStrNew();
datadir = ajDatafileValuePath();
if(!datadir)
ajFatal("jaspextract: Cannot determine the EMBOSS data directory");
ajFmtPrintS(&matrixfile,"%S%s",directory,MATRIXFILE);
if(!ajFilenameExistsRead(matrixfile))
ajFatal("jaspextract: Directory (%S) doesn't appear to be a JASPAR "
"one\nNo matrix_list.txt file found",directory);
inf = ajFileNewInNameS(matrixfile);
if(!inf)
ajFatal("Cannot open input file: %S",matrixfile);
while(ajReadline(inf,&line))
{
key = ajStrNew();
if(ajFmtScanS(line,"%S",&key) != 1)
{
ajStrDel(&key);
continue;
}
value = ajStrNew();
ajStrAssignS(&value,line);
ajTablePut(mtable,(void *)key, (void *)value);
}
ajFileClose(&inf);
ajStrDel(&matrixfile);
ajStrDel(&line);
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 makeprotseq_parse_pepstats(AjPList* list,AjPFile data)
{
AjPStr line = ajStrNew();
AjPStr ch;
AjPStr chcopy = NULL;
const AjPStr tok;
double value = 0.0;
ajint count = 0;
ajint i = 0;
ajDebug("Parsing pepstats file.\n");
/* skip the lines before residues */
while(ajReadline(data,&line))
{
if(ajStrFindC(line,"Residue") == 0)
break;
}
/* parse residue part */
while(ajReadlineTrim(data,&line))
{
if(ajStrParseCountC(line," \t") == 0)
break;
ch = ajStrNew();
tok = ajStrParseWhite(line);
ajStrAppendS(&ch,tok);
ajStrFmtLower(&ch);
for(count = 1; count < 5; count++)
tok = ajStrParseWhite(NULL);
ajStrToDouble(tok,&value);
count = (ajint) (value * 100) +
((value - (int) value ) >= 0.5 ? 1 : 0);
for(i=0; i<count; i++)
{
chcopy = ajStrNewS(ch);
ajListstrPush(*list,chcopy);
}
ajStrDel(&ch);
}
ajStrDel(&line);
return;
}
AjBool ajReadlineAppend(AjPFile file, AjPStr* Pdest)
{
static AjPStr locbuff = 0;
AjBool ok;
if(!locbuff)
locbuff = ajStrNewRes(512);
ok = ajReadline(file, &locbuff);
if(ok)
ajStrAppendS(Pdest, locbuff);
ajStrDel(&locbuff);
return ok;
}
AjBool gGetFileContent(AjPStr* content, AjPStr filename){
AjPFile file = NULL;
AjPStr line = NULL;
if((file = ajFileNewInNameS(filename)) == NULL)
return ajFalse;
while(ajReadline(file, &line))
ajStrAppendS(content, line);
if(file)
ajFileClose(&file);
ajSysFileUnlinkS(filename);
return ajTrue;
}
int main(int argc, char *argv[])
{
embInitPV("genret", argc, argv, "GEMBASSY", "1.0.3");
AjPSeqall seqall;
AjPSeq seq = NULL;
AjPStr inseq = NULL;
AjPStr gene = NULL;
AjPStr access = NULL;
AjBool accid = ajTrue;
AjPStr argument = NULL;
AjPFile outfile = NULL;
AjPStr seqid = NULL;
AjPStr restid = NULL;
AjBool valid = ajFalse;
AjBool isseq = ajFalse;
AjBool isgbk = ajFalse;
AjPFilebuff buff = NULL;
AjPFile tmpfile = NULL;
AjPStr tmpname = NULL;
AjPStr regexstr = NULL;
AjPStrTok token = NULL;
AjPRegexp regex = NULL;
AjPStr url = NULL;
AjPStr base = NULL;
AjPStr head = NULL;
AjPStr line = NULL;
seqall = ajAcdGetSeqall("sequence");
access = ajAcdGetString("access");
gene = ajAcdGetString("gene");
argument = ajAcdGetString("argument");
accid = ajAcdGetBoolean("accid");
outfile = ajAcdGetOutfile("outfile");
if(
ajStrMatchC(access, "translation") ||
ajStrMatchC(access, "get_exon") ||
ajStrMatchC(access, "get_exons") ||
ajStrMatchC(access, "get_cdsseq") ||
ajStrMatchC(access, "get_gbkseq") ||
ajStrMatchC(access, "get_geneseq") ||
ajStrMatchC(access, "get_intron") ||
ajStrMatchC(access, "getseq") ||
ajStrMatchC(access, "seq") ||
ajStrMatchC(access, "around_startcodon") ||
ajStrMatchC(access, "around_stopcodon") ||
ajStrMatchC(access, "before_startcodon") ||
ajStrMatchC(access, "before_stopcodon") ||
ajStrMatchC(access, "after_startcodon") ||
ajStrMatchC(access, "after_stopcodon")
)
{
isseq = ajTrue;
}
else if(ajStrMatchC(access, "annotate") ||
ajStrMatchC(access, "output"))
{
isgbk = ajTrue;
}
else
{
ajFmtPrintF(outfile, "gene,%S\n", access);
}
base = ajStrNewC("rest.g-language.org");
ajStrExchangeCC(&argument, " ", "/");
ajStrExchangeCC(&argument, ",", "/");
ajStrExchangeCC(&argument, "\t", "/");
ajStrExchangeCC(&argument, "\r", "/");
ajStrExchangeCC(&argument, "\n", "/");
if(ajStrMatchC(gene, "*"))
{
ajStrInsertK(&gene, 0, '.');
}
if(ajStrPrefixC(gene, "@") || ajStrPrefixC(gene, "list::"))
{
ajStrExchangeCC(&gene, "@", "");
ajStrExchangeCC(&gene, "list::", "");
ajStrAssignS(&tmpname, gene);
tmpfile = ajFileNewInNameS(tmpname);
if(!tmpfile)
{
ajDie("List file (%S) open error\n", tmpname);
}
gene = ajStrNew();
while(ajReadline(tmpfile, &line))
{
ajStrAppendS(&gene, line);
}
ajFileClose(&tmpfile);
ajStrDel(&tmpname);
ajStrDel(&line);
}
tmpname = ajStrNew();
gAssignUniqueName(&tmpname);
while(ajSeqallNext(seqall, &seq))
{
inseq = ajStrNew();
if(!accid)
{
if(gFormatGenbank(seq, &inseq))
{
tmpfile = ajFileNewOutNameS(tmpname);
if(!tmpfile)
{
ajDie("Output file (%S) open error\n", tmpname);
}
ajFmtPrintF(tmpfile, "%S", inseq);
ajFileClose(&tmpfile);
ajFmtPrintS(&url, "http://%S/upload/upl.pl", base);
gFilePostSS(url, tmpname, &restid);
ajStrDel(&url);
ajSysFileUnlinkS(tmpname);
}
else
{
ajWarn("Sequence does not have features\n"
"Proceeding with sequence accession ID\n");
accid = ajTrue;
}
}
ajStrAssignS(&seqid, ajSeqGetAccS(seq));
if(ajStrGetLen(seqid) == 0)
{
ajStrAssignS(&seqid, ajSeqGetNameS(seq));
}
if(ajStrGetLen(seqid) == 0)
{
ajWarn("No valid header information\n");
}
if(accid)
{
ajStrAssignS(&restid, seqid);
if(ajStrGetLen(seqid) == 0)
{
ajDie("Cannot proceed without header with -accid\n");
}
if(!gValID(seqid))
{
ajDie("Invalid accession ID:%S, exiting\n", seqid);
}
}
url = ajStrNew();
if(isgbk)
{
ajFmtPrintS(&url, "http://%S/%S/%S", base, restid, access);
}
else
{
ajFmtPrintS(&url, "http://%S/%S/*/%S/%S", base, restid, access, argument);
}
if(!gFilebuffURLS(url, &buff))
{
ajDie("GET error from %S\n", url);
}
while(ajBuffreadLine(buff, &line))
{
if(isgbk){
ajFmtPrintF(outfile, "%S", line);
continue;
}
ajStrRemoveLastNewline(&line);
regex = ajRegCompC("^>");
if(ajRegExec(regex, line))
{
head = ajStrNew();
ajStrAssignS(&head, line);
ajStrTrimStartC(&head, ">");
valid = ajFalse;
token = ajStrTokenNewC(ajStrNewS(gene), " ,\t\r\n");
while(ajStrTokenNextParse(token, ®exstr))
{
if(ajStrGetLen(regexstr))
{
regex = ajRegComp(regexstr);
if(ajRegExec(regex, line))
{
valid = ajTrue;
if(ajStrIsAlnum(regexstr))
{
ajStrExchangeSC(&gene, regexstr, "");
}
}
ajRegFree(®ex);
}
}
}
else
{
if(valid)
{
if(isseq)
{
ajStrFmtWrap(&line, 60);
ajFmtPrintF(outfile, ">%S\n%S\n", head, line);
}
else
{
ajFmtPrintF(outfile, "%S,%S\n", head, line);
}
valid = ajFalse;
}
}
}
ajFileClose(&outfile);
ajStrDel(&restid);
ajStrDel(&seqid);
ajStrDel(&inseq);
}
ajSeqallDel(&seqall);
ajSeqDel(&seq);
ajStrDel(&access);
ajStrDel(&gene);
embExit();
}
int main(int argc, char **argv) {
// initialize EMBASSY info
embInitPV("kweblogo", argc, argv, "KBWS", "1.0.9");
// soap driver and parameter object
struct soap soap;
struct ns1__weblogoInputParams params;
char* jobid;
AjPSeqall seqall;
AjPSeq seq;
AjPStr substr;
AjPStr inseq = NULL;
// get input sequence
seqall= ajAcdGetSeqall("seqall");
// get/set parameters
params.format = ajCharNewS(ajAcdGetString("format"));
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;
AjPFile goutf;
AjPStr goutfile;
goutfile= ajAcdGetString("goutfile");
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__runWeblogo( &soap, NULL, NULL, in0, ¶ms, &jobid) == SOAP_OK) {
} else {
soap_print_fault(&soap, stderr);
}
int check= 0;
while (check == 0 ) {
if (soap_call_ns1__checkStatus(&soap, NULL, NULL, jobid, &check) == SOAP_OK) {
} else {
soap_print_fault(&soap, stderr);
}
sleep(3);
}
char* image_url;
if (soap_call_ns1__getResult(&soap, NULL, NULL, jobid, &image_url) == SOAP_OK) {
goutf= ajFileNewOutNameS(goutfile);
if (!goutf) {
// can not open image output file
ajFmtError("Problem writing out image file");
embExitBad();
}
if (!gHttpGetBinC(image_url, &goutf)) {
// can not download image file
ajFmtError("Problem downloading image file");
embExitBad();
}
} else {
soap_print_fault(&soap, stderr);
}
// delete temporary multi-fasta sequence file
ajSysFileUnlinkS(tmpFileName);
// destruct SOAP driver
soap_destroy(&soap);
soap_end(&soap);
soap_done(&soap);
// destruct EMBOSS object
ajSeqallDel(&seqall);
ajSeqDel(&seq);
ajStrDel(&substr);
// exit
embExit();
return 0;
}
/* @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;
}
EmbPPropMolwt* embPropEmolwtRead(AjPFile mfptr)
{
AjPStr line = NULL;
AjPStr token = NULL;
AjBool firstline;
const char *p;
ajuint i;
ajint n;
EmbPPropMolwt *ret;
line = ajStrNew();
token = ajStrNew();
firstline = ajTrue;
AJCNEW0(ret,EMBPROPSIZE+2);
for(i=0; i < EMBPROPSIZE+2; ++i)
AJNEW0(ret[i]);
while(ajReadline(mfptr, &line))
{
ajStrRemoveWhiteExcess(&line);
p = ajStrGetPtr(line);
if(*p=='#' || *p=='!' || !*p)
continue;
if(firstline)
{
if(!ajStrPrefixC(line,"Mol"))
ajFatal("Incorrect format molwt file: '%S'", line);
firstline = ajFalse;
continue;
}
ajFmtScanS(line,"%S",&token);
ajStrFmtUpper(&token);
if(ajStrGetLen(token) != 1)
{
if(ajStrPrefixC(token,"HYDROGEN"))
{
if(ajFmtScanS(line,"%*s%lf%lf",
&ret[EMBPROPHINDEX]->average,
&ret[EMBPROPHINDEX]->mono) != 2)
ajFatal("Bad format hydrogen data line");
}
else if(ajStrPrefixC(token,"OXYGEN"))
{
if(ajFmtScanS(line,"%*s%lf%lf",
&ret[EMBPROPOINDEX]->average,
&ret[EMBPROPOINDEX]->mono) != 2)
ajFatal("Bad format oxygen data line");
}
else if(ajStrPrefixC(token,"WATER"))
{
if(ajFmtScanS(line,"%*s%lf%lf",
&ret[EMBPROPWINDEX]->average,
&ret[EMBPROPWINDEX]->mono) != 2)
ajFatal("Bad format water data line");
}
else
ajFatal("Unknown molwt token %S",token);
continue;
}
i = ajBasecodeToInt((ajint) *ajStrGetPtr(token));
if(i == 27)
ajFatal("Molwt file line doesn't begin with a single A->Z (%S)",
line);
n = ajFmtScanS(line,"%*s%lf%lf",
&ret[i]->average,
&ret[i]->mono);
if(n != 2)
ajFatal("Only %d columns in amino file - expected %d",n,3);
}
ajStrDel(&line);
ajStrDel(&token);
return ret;
}
AjBool gHttpRedirect(AjPFile file, AjPStr* host, ajint* port, AjPStr* path)
{
AjPFilebuff buff = NULL;
AjPRegexp httpexp = NULL;
AjPRegexp nullexp = NULL;
AjPRegexp redirexp = NULL;
AjPStr codestr = NULL;
AjPStr newurl = NULL;
AjPStr newhost = NULL;
AjPStr currline = NULL;
ajuint httpcode = 0;
AjBool isheader = ajFalse;
AjBool ret = ajFalse;
httpexp = ajRegCompC("^HTTP/\\S+\\s+(\\d+)");
ajReadline(file, &currline);
ajDebug("gHttpRedirect: First line: '%S'\n", currline);
if(ajRegExec(httpexp, currline))
{
isheader = ajTrue;
ajRegSubI(httpexp, 1, &codestr);
ajStrToUint(codestr, &httpcode);
ajDebug("Header: codestr '%S' code '%u'\n", codestr, httpcode);
ajStrDel(&codestr);
}
if(isheader)
{
if(httpcode == 301 || httpcode == 302 || httpcode==307)
{
redirexp = ajRegCompC("^Location: (\\S+)");
nullexp = ajRegCompC("^\r?\n?$");
while( ajReadline(file, &currline) &&
!ajRegExec(nullexp, currline))
{
ajDebug("gHttpRedirect: header line: '%S'\n", currline);
if(ajRegExec(redirexp, currline))
{
ajRegSubI(redirexp, 1, &newurl);
ajHttpUrlDeconstruct(newurl, port, &newhost, path);
if(ajStrGetLen(newhost))
ajStrAssignS(host, newhost);
ajStrDel(&newurl);
ajStrDel(&newhost);
ret = ajTrue;
break;
}
}
ajRegFree(&redirexp);
ajRegFree(&nullexp);
}
}
ajRegFree(&httpexp);
ajStrDel(&currline);
return ret;
}
AjPFilebuff gHttpPostFileSS(AjPStr url, AjPStr filename)
{
AjPFilebuff buff = NULL;
AjPFile file = NULL;
AjPStr line = NULL;
AjPStr cont = NULL;
AjPStr host = NULL;
AjPStr path = NULL;
AjPStr post = NULL;
AjPStr body = NULL;
ajint port = 80;
ajuint http = 0;
FILE *fp;
char crlf[] = "\015\021";
AjOSysSocket sock;
AjOSysTimeout timo;
post = ajStrNew();
body = ajStrNew();
cont = ajStrNew();
file = ajFileNewInNameS(filename);
while(ajReadline(file, &line))
{
ajStrAppendS(&cont, line);
}
ajHttpUrlDeconstruct(url, &port, &host, &path);
while(buff==NULL || ajHttpRedirect(buff, &host, &port, &path, &http))
{
if(ajStrGetCharFirst(path) != '/')
ajStrInsertK(&path, 0, '/');
ajFmtPrintS(
&body,
"--xYzZY\015\012"
"Content-Disposition: form-data; name=\"file\";"
" filename=\"%S\"\015\012"
"Content-Type: text/plain\015\012"
"%S\015\012"
"\015\012--xYzZY--\015\012",
filename, cont
);
ajFmtPrintS(
&post,
"POST http://%S%S\n"
"Content-Length: %d\n"
"Content-Type: multipart/form-data; boundary=xYzZY\n\n"
"%S",
host, path,
ajStrGetLen(body), body
);
ajFmtPrint("%S", post);
fp = ajHttpOpen(NULL, host, port, post, &sock);
buff = ajFilebuffNewFromCfile(fp);
if(!buff)
return NULL;
}
ajStrDel(&post);
timo.seconds = 180;
ajSysTimeoutSet(&timo);
ajFilebuffLoadAll(buff);
ajSysTimeoutUnset(&timo);
return buff;
}
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) {
embInitPV("kmafft", argc, argv, "KBWS", "1.0.8");
struct soap soap;
struct ns1__mafftInputParams params;
char* jobid;
char* result;
AjPSeqall seqall;
AjPSeq seq;
AjPFile outf;
AjPStr substr;
AjPStr inseq = NULL;
AjPStr strategy;
AjPStr outorder;
float op;
float ep;
AjPStr scorematrix;
AjBool homologs;
AjBool showhomologs;
float threshold;
AjPStr referenceseq;
AjPStr harrplot;
strategy = ajAcdGetString("strategy");
outorder = ajAcdGetString("outorder");
op = ajAcdGetFloat("op");
ep = ajAcdGetFloat("ep");
scorematrix = ajAcdGetString("scorematrix");
homologs = ajAcdGetBoolean("homologs");
showhomologs = ajAcdGetBoolean("showhomologs");
threshold = ajAcdGetFloat("threshold");
referenceseq = ajAcdGetString("referenceseq");
harrplot = ajAcdGetString("harrplot");
seqall = ajAcdGetSeqall("seqall");
outf = ajAcdGetOutfile("outfile");
params.strategy = ajCharNewS(strategy);
params.outorder = ajCharNewS(outorder);
params.op = op;
params.ep = ep;
params.scorematrix = ajCharNewS(scorematrix);
if (homologs) {
params.homologs = xsd__boolean__true_;
} else {
params.homologs = xsd__boolean__false_;
}
if (showhomologs) {
params.showhomologs = xsd__boolean__true_;
} else {
params.showhomologs = xsd__boolean__false_;
}
params.threshold = threshold;
params.referenceseq = ajCharNewS(referenceseq);
params.harrplot = ajCharNewS(harrplot);
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__runMafft( &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");
if ( soap_call_ns1__getResult( &soap, NULL, NULL, jobid, &result ) == SOAP_OK ) {
substr = ajStrNewC(result);
ajFmtPrintF(outf,"%S\n",substr);
} else {
soap_print_fault(&soap, stderr);
}
ajSysFileUnlinkS(tmpFileName);
soap_destroy(&soap);
soap_end(&soap);
soap_done(&soap);
ajFileClose(&outf);
ajSeqallDel(&seqall);
ajSeqDel(&seq);
ajStrDel(&substr);
embExit();
return 0;
}
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;
}
EmbPPropAmino* embPropEaminoRead(AjPFile mfptr)
{
AjPStr line = NULL;
AjPStr token = NULL;
AjBool firstline;
const char *p;
ajuint i;
ajint n;
EmbPPropAmino *ret;
line = ajStrNew();
token = ajStrNew();
firstline = ajTrue;
AJCNEW0(ret,EMBPROPSIZE);
for(i=0; i < EMBPROPSIZE; ++i)
AJNEW0(ret[i]);
while(ajReadline(mfptr, &line))
{
ajStrRemoveWhiteExcess(&line);
p = ajStrGetPtr(line);
if(*p=='#' || *p=='!' || !*p)
continue;
if(firstline)
{
if(!ajStrPrefixC(line,"aa"))
ajFatal("Incorrect (old?) format amino data file");
firstline = ajFalse;
continue;
}
ajFmtScanS(line,"%S",&token);
ajStrFmtUpper(&token);
if(ajStrGetLen(token) != 1)
ajFatal("Amino file line doesn't begin with a single character");
i = ajBasecodeToInt((ajint) *ajStrGetPtr(token));
if(i == 27)
ajFatal("Amino file line doesn't begin with a single A->Z (%S)",
line);
n = ajFmtScanS(line,"%*s%d%d%d%d%d%d%f%d%d%d",
&ret[i]->tiny,
&ret[i]->sm_all,
&ret[i]->aliphatic,
&ret[i]->aromatic,
&ret[i]->nonpolar,
&ret[i]->polar,
&ret[i]->charge,
&ret[i]->pve,
&ret[i]->nve,
&ret[i]->extcoeff);
if(n!= 10)
ajFatal("Only %d columns in amino file - expected %d",n+1,11);
}
ajStrDel(&line);
ajStrDel(&token);
return ret;
}
int main(int argc, char **argv)
{
AjPSeq seq;
AjPGraph graph = 0;
AjPFile outf = NULL;
AjPFile file = NULL;
AjPStr buffer = NULL;
float twist[4][4][4];
float roll[4][4][4];
float tilt[4][4][4];
float rbend;
float rcurve;
float bendscale;
float curvescale;
float twistsum = (float) 0.0;
float pi = (float) 3.14159;
float pifac = (pi/(float) 180.0);
float pi2 = pi/(float) 2.0;
ajint *iseq = NULL;
float *x;
float *y;
float *xave;
float *yave;
float *curve;
float *bend;
const char *ptr;
ajint i;
ajint ii;
ajint k;
ajint j;
char residue[2];
float maxbend;
float minbend;
float bendfactor;
float maxcurve;
float mincurve;
float curvefactor;
float fxp;
float fyp;
float yincr;
float yy1;
ajint ixlen;
ajint iylen;
ajint ixoff;
ajint iyoff;
float ystart;
float defheight;
float currentheight;
ajint count;
ajint portrait = 0;
ajint title = 0;
ajint numres;
ajint ibeg;
ajint iend;
ajint ilen;
AjPStr sstr = NULL;
ajint ipos;
float dx;
float dy;
float rxsum;
float rysum;
float yp1;
float yp2;
double td;
embInit("banana", argc, argv);
seq = ajAcdGetSeq("sequence");
file = ajAcdGetDatafile("anglesfile");
outf = ajAcdGetOutfile("outfile");
graph = ajAcdGetGraph("graph");
numres = ajAcdGetInt("residuesperline");
ibeg = ajSeqGetBegin(seq);
iend = ajSeqGetEnd(seq);
ajStrAssignSubS(&sstr, ajSeqGetSeqS(seq), ibeg-1, iend-1);
ilen = ajStrGetLen(sstr);
AJCNEW0(iseq,ilen+1);
AJCNEW0(x,ilen+1);
AJCNEW0(y,ilen+1);
AJCNEW0(xave,ilen+1);
AJCNEW0(yave,ilen+1);
AJCNEW0(curve,ilen+1);
AJCNEW0(bend,ilen+1);
ptr= ajStrGetPtr(sstr);
for(ii=0;ii<ilen;ii++)
{
if(*ptr=='A' || *ptr=='a')
iseq[ii+1] = 0;
else if(*ptr=='T' || *ptr=='t')
iseq[ii+1] = 1;
else if(*ptr=='G' || *ptr=='g')
iseq[ii+1] = 2;
else if(*ptr=='C' || *ptr=='c')
iseq[ii+1] = 3;
else
ajErr("%c is not an ATCG hence not valid",*ptr);
ptr++;
}
if(!file)
ajErr("Banana failed to open angle file");
ajReadline(file,&buffer); /* 3 junk lines */
ajReadline(file,&buffer);
ajReadline(file,&buffer);
for(k=0;k<4;k++)
for(ii=0;ii<4;ii++)
{
if(ajReadline(file,&buffer))
{
sscanf(ajStrGetPtr(buffer),"%f,%f,%f,%f",
&twist[ii][0][k],&twist[ii][1][k],&twist[ii][2][k],
&twist[ii][3][k]);
}
else
ajErr("Error reading angle file");
for(j=0;j<4;j++)
twist[ii][j][k] *= pifac;
}
for(k=0;k<4;k++)
for(ii=0;ii<4;ii++)
if(ajReadline(file,&buffer))
{
sscanf(ajStrGetPtr(buffer),"%f,%f,%f,%f",&roll[ii][0][k],
&roll[ii][1][k],&roll[ii][2][k],&roll[ii][3][k]);
}
else
ajErr("Error reading angle file");
for(k=0;k<4;k++)
for(ii=0;ii<4;ii++)
if(ajReadline(file,&buffer))
sscanf(ajStrGetPtr(buffer),"%f,%f,%f,%f",&tilt[ii][0][k],
&tilt[ii][1][k],&tilt[ii][2][k],&tilt[ii][3][k]);
else
ajErr("Error reading angle file");
if(ajReadline(file,&buffer))
sscanf(ajStrGetPtr(buffer),"%f,%f,%f,%f",&rbend,&rcurve,
&bendscale,&curvescale);
else
ajErr("Error reading angle file");
ajFileClose(&file);
ajStrDel(&buffer);
for(ii=1;ii<ilen-1;ii++)
{
twistsum += twist[iseq[ii]][iseq[ii+1]][iseq[ii+2]];
dx = (roll[iseq[ii]][iseq[ii+1]][iseq[ii+2]]*sinfban(twistsum)) +
(tilt[iseq[ii]][iseq[ii+1]][iseq[ii+2]]*sinfban(twistsum-pi2));
dy = roll[iseq[ii]][iseq[ii+1]][iseq[ii+2]]*cosfban(twistsum) +
tilt[iseq[ii]][iseq[ii+1]][iseq[ii+2]]*cosfban(twistsum-pi2);
x[ii+1] = x[ii]+dx;
y[ii+1] = y[ii]+dy;
}
for(ii=6;ii<ilen-6;ii++)
{
rxsum = 0.0;
rysum = 0.0;
for(k=-4;k<=4;k++)
{
rxsum+=x[ii+k];
rysum+=y[ii+k];
}
rxsum+=(x[ii+5]*(float)0.5);
rysum+=(y[ii+5]*(float)0.5);
rxsum+=(x[ii-5]*(float)0.5);
rysum+=(y[ii-5]*(float)0.5);
xave[ii] = rxsum*(float)0.1;
yave[ii] = rysum*(float)0.1;
}
for(i=(ajint)rbend+1;i<=ilen-(ajint)rbend-1;i++)
{
td = sqrt(((x[i+(ajint)rbend]-x[i-(ajint)rbend])*
(x[i+(ajint)rbend]-x[i-(ajint)rbend])) +
((y[i+(ajint)rbend]-y[i-(ajint)rbend])*
(y[i+(ajint)rbend]-y[i-(ajint)rbend])));
bend[i] = (float) td;
bend[i]*=bendscale;
}
for(i=(ajint)rcurve+6;i<=ilen-(ajint)rcurve-6;i++)
{
td = sqrt(((xave[i+(ajint)rcurve]-
xave[i-(ajint)rcurve])*(xave[i+(ajint)rcurve]-
xave[i-(ajint)rcurve]))+
((yave[i+(ajint)rcurve]-yave[i-(ajint)rcurve])*
(yave[i+(ajint)rcurve]-yave[i-(ajint)rcurve])));
curve[i] = (float) td;
}
if(outf)
{
ajFmtPrintF(outf,"Base Bend Curve\n");
ptr = ajStrGetPtr(sstr);
for(ii=1;ii<=ilen;ii++)
{
ajFmtPrintF(outf,"%c %6.1f %6.1f\n",
*ptr, bend[ii], curve[ii]);
ptr++;
}
ajFileClose(&outf);
}
if(graph)
{
maxbend = minbend = 0.0;
maxcurve = mincurve = 0.0;
for(ii=1;ii<=ilen;ii++)
{
if(bend[ii] > maxbend)
maxbend = bend[ii];
if(bend[ii] < minbend)
minbend = bend[ii];
if(curve[ii] > maxcurve)
maxcurve = curve[ii];
if(curve[ii] < mincurve)
mincurve = curve[ii];
}
ystart = 75.0;
ajGraphAppendTitleS(graph, ajSeqGetUsaS(seq));
ajGraphicsSetPagesize(960, 768);
ajGraphOpenWin(graph,(float)-1.0, (float)numres+(float)10.0,
(float)0.0, ystart+(float)5.0);
ajGraphicsGetParamsPage(&fxp,&fyp,&ixlen,&iylen,&ixoff,&iyoff);
if(portrait)
{
ixlen = 768;
iylen = 960;
}
else
{
ixlen = 960;
iylen = 768;
}
ajGraphicsGetCharsize(&defheight,¤theight);
if(!currentheight)
{
defheight = currentheight = (float) 4.440072;
currentheight = defheight *
((float)ixlen/ ((float)(numres)*(currentheight+(float)1.0)))
/currentheight;
}
ajGraphicsSetCharscale(((float)ixlen/((float)(numres)*
(currentheight+(float)1.0)))/
currentheight);
ajGraphicsGetCharsize(&defheight,¤theight);
yincr = (currentheight + (float)3.0)*(float)0.3;
if(!title)
yy1 = ystart;
else
yy1 = ystart-(float)5.0;
count = 1;
residue[1]='\0';
bendfactor = (3*yincr)/maxbend;
curvefactor = (3*yincr)/maxcurve;
ptr = ajStrGetPtr(sstr);
yy1 = yy1-(yincr*((float)5.0));
for(ii=1;ii<=ilen;ii++)
{
if(count > numres)
{
yy1 = yy1-(yincr*((float)5.0));
if(yy1<1.0)
{
if(!title)
yy1=ystart;
else
yy1 = ystart-(float)5.0;
yy1 = yy1-(yincr*((float)5.0));
ajGraphNewpage(graph,AJFALSE);
}
count = 1;
}
residue[0] = *ptr;
ajGraphicsDrawposTextAtend((float)(count)+(float)2.0,yy1,residue);
if(ii>1 && ii < ilen)
{
yp1 = yy1+yincr + (bend[ii]*bendfactor);
yp2 = yy1+yincr + (bend[ii+1]*bendfactor);
ajGraphicsDrawposLine((float)count+(float)1.5,yp1,
(float)(count)+(float)2.5,yp2);
}
ipos = ilen-(ajint)rcurve-7;
if(ipos < 0)
ipos = 0;
if(ii>rcurve+5 && ii<ipos)
{
yp1 = yy1+yincr + (curve[ii]*curvefactor);
yp2 = yy1+yincr + (curve[ii+1]*curvefactor);
ajGraphicsDrawposLine((float)count+(float)1.7,yp1,
(float)(count)+(float)2.3,yp2);
}
ajGraphicsDrawposLine((float)count+(float)1.5,yy1+yincr,
(float)(count)+(float)2.5,yy1+yincr);
count++;
ptr++;
}
ajGraphicsClose();
}
AJFREE(iseq);
AJFREE(x);
AJFREE(y);
AJFREE(xave);
AJFREE(yave);
AJFREE(curve);
AJFREE(bend);
ajStrDel(&sstr);
ajSeqDel(&seq);
ajFileClose(&file);
ajFileClose(&outf);
ajGraphxyDel(&graph);
embExit();
return 0;
}
static AjBool dbifasta_ParseFasta(AjPFile libr, ajint* dpos,
ajint* maxFieldLen, ajuint* countfield,
AjPRegexp idexp,
ajuint usertype, AjPFile* alistfile,
AjBool systemsort, AjPStr const * fields)
{
char* fd;
ajlong ipos;
static AjPStr tstr = NULL;
static ajint numFields;
static ajint accfield = -1;
static ajint desfield = -1;
static ajint svnfield = -1;
static AjBool reset = AJTRUE;
ajuint type = usertype;
if(!fields)
{
reset = ajTrue;
accfield = svnfield = desfield = -1;
return ajFalse;
}
if(reset)
{
numFields = 0;
while(fields[numFields])
{
if(ajStrMatchCaseC(fields[numFields], "acc"))
accfield=numFields;
else if(ajStrMatchCaseC(fields[numFields], "sv"))
svnfield=numFields;
else if(ajStrMatchCaseC(fields[numFields], "des"))
desfield=numFields;
else
ajWarn("EMBL parsing unknown field '%S' ignored",
fields[numFields]);
numFields++;
}
reset = ajFalse;
}
if(!dbifastaGWrdexp)
dbifastaGWrdexp = ajRegCompC("([A-Za-z0-9]+)");
if(!tstr)
tstr = ajStrNew();
*dpos = (ajint) ajFileResetPos(libr); /* Lossy cast */
ajReadline(libr, &dbifastaGRline);
if(!ajStrGetLen(dbifastaGRline))
return ajFalse;
if(!ajRegExec(idexp,dbifastaGRline))
{
ajStrDelStatic(&dbifastaGTmpAc);
type = FASTATYPE_SIMPLE;
idexp = dbifastaGIdexp;
if(!ajRegExec(idexp, dbifastaGRline))
{
ajFatal("Unrecognised ID line format: %S", dbifastaGRline);
return ajFalse;
}
ajWarn("Invalid ID line for selected format: %S", dbifastaGRline);
}
/*
** each case needs to set id, tmpac, tmpsv, tmpdes
** using empty values if they are not found
*/
ajStrAssignC(&dbifastaGTmpSv, "");
ajStrAssignC(&dbifastaGTmpGi, "");
ajStrAssignC(&dbifastaGTmpDb, "");
ajStrAssignC(&dbifastaGTmpDes, "");
ajStrAssignC(&dbifastaGTmpAc, "");
ajStrAssignC(&dbifastaGTmpId, "");
switch(type)
{
case FASTATYPE_SIMPLE:
ajRegSubI(idexp,2,&dbifastaGTmpId);
ajStrAssignS(&dbifastaGTmpAc,dbifastaGTmpId);
ajRegPost(idexp, &dbifastaGTmpDes);
break;
case FASTATYPE_DBID:
ajRegSubI(idexp,1,&dbifastaGTmpId);
ajStrAssignS(&dbifastaGTmpAc,dbifastaGTmpId);
ajRegPost(idexp, &dbifastaGTmpDes);
break;
case FASTATYPE_GCGID:
ajRegSubI(idexp,1,&dbifastaGTmpId);
ajStrAssignS(&dbifastaGTmpAc,dbifastaGTmpId);
ajRegPost(idexp, &dbifastaGTmpDes);
break;
case FASTATYPE_NCBI:
if(!ajSeqParseNcbi(dbifastaGRline, &dbifastaGTmpId, &dbifastaGTmpAc,
&dbifastaGTmpSv, &dbifastaGTmpGi, &dbifastaGTmpDb,
&dbifastaGTmpDes))
{
ajStrDelStatic(&dbifastaGTmpAc);
return ajFalse;
}
break;
case FASTATYPE_GCGIDACC:
ajRegSubI(idexp,1,&dbifastaGTmpId);
ajRegSubI(idexp,2,&dbifastaGTmpAc);
ajRegPost(idexp, &dbifastaGTmpDes);
break;
case FASTATYPE_GCGACCID:
ajRegSubI(idexp,1,&dbifastaGTmpAc);
ajRegSubI(idexp,2,&dbifastaGTmpId);
ajRegPost(idexp, &dbifastaGTmpDes);
break;
case FASTATYPE_IDACC:
ajRegSubI(idexp,1,&dbifastaGTmpId);
ajRegSubI(idexp,2,&dbifastaGTmpAc);
ajRegPost(idexp, &dbifastaGTmpDes);
break;
case FASTATYPE_ACCID:
ajRegSubI(idexp,1,&dbifastaGTmpAc);
ajRegSubI(idexp,2,&dbifastaGTmpId);
ajRegPost(idexp, &dbifastaGTmpDes);
break;
default:
ajStrDelStatic(&dbifastaGTmpAc);
return ajFalse;
}
ajStrFmtUpper(&dbifastaGTmpId);
ajStrFmtUpper(&dbifastaGTmpAc);
if(accfield >= 0)
embDbiMaxlen(&dbifastaGTmpAc, &maxFieldLen[accfield]);
if(svnfield >= 0)
{
embDbiMaxlen(&dbifastaGTmpSv, &maxFieldLen[svnfield]);
embDbiMaxlen(&dbifastaGTmpGi, &maxFieldLen[svnfield]);
}
if(systemsort)
{
if(accfield >= 0 && ajStrGetLen(dbifastaGTmpAc))
{
countfield[accfield]++;
ajFmtPrintF(alistfile[accfield], "%S %S\n",
dbifastaGTmpId, dbifastaGTmpAc);
}
if(svnfield >= 0 && ajStrGetLen(dbifastaGTmpSv))
{
countfield[svnfield]++;
ajFmtPrintF(alistfile[svnfield], "%S %S\n",
dbifastaGTmpId, dbifastaGTmpSv);
}
if(svnfield >= 0 && ajStrGetLen(dbifastaGTmpGi))
{
countfield[svnfield]++;
ajFmtPrintF(alistfile[svnfield], "%S %S\n",
dbifastaGTmpId, dbifastaGTmpGi);
}
if(desfield >= 0 && ajStrGetLen(dbifastaGTmpDes))
while(ajRegExec(dbifastaGWrdexp, dbifastaGTmpDes))
{
ajRegSubI(dbifastaGWrdexp, 1, &dbifastaGTmpFd);
embDbiMaxlen(&dbifastaGTmpFd, &maxFieldLen[desfield]);
ajStrFmtUpper(&dbifastaGTmpFd);
ajDebug("++des '%S' tmpdes '%S\n",
dbifastaGTmpFd, dbifastaGTmpDes);
countfield[desfield]++;
ajFmtPrintF(alistfile[desfield], "%S %S\n",
dbifastaGTmpId, dbifastaGTmpFd);
ajRegPost(dbifastaGWrdexp, &dbifastaGTmpDes);
}
}
else
{
if(accfield >= 0 && ajStrGetLen(dbifastaGTmpAc))
{
fd = ajCharNewS(dbifastaGTmpAc);
ajListPushAppend(dbifastaGFdl[accfield],fd);
countfield[accfield]++;
}
if(svnfield >= 0 && ajStrGetLen(dbifastaGTmpSv))
{
fd = ajCharNewS(dbifastaGTmpSv);
ajListPushAppend(dbifastaGFdl[svnfield], fd);
countfield[svnfield]++;
}
if(svnfield >= 0 && ajStrGetLen(dbifastaGTmpGi))
{
fd = ajCharNewS(dbifastaGTmpGi);
ajListPushAppend(dbifastaGFdl[svnfield], fd);
countfield[svnfield]++;
}
if(desfield >= 0 && ajStrGetLen(dbifastaGTmpDes))
while(ajRegExec(dbifastaGWrdexp, dbifastaGTmpDes))
{
ajRegSubI(dbifastaGWrdexp, 1, &dbifastaGTmpFd);
embDbiMaxlen(&dbifastaGTmpFd, &maxFieldLen[desfield]);
ajStrFmtUpper(&dbifastaGTmpFd);
ajDebug("++des '%S' tmpdes: '%S'\n",
dbifastaGTmpFd, dbifastaGTmpDes);
fd = ajCharNewS(dbifastaGTmpFd);
ajListPushAppend(dbifastaGFdl[desfield], fd);
countfield[desfield]++;
ajRegPost(dbifastaGWrdexp, &dbifastaGTmpDes);
}
}
ipos = ajFileResetPos(libr);
while(ajReadline(libr, &dbifastaGRline))
{
if(ajStrGetCharFirst(dbifastaGRline) == '>')
{
ajFileSeek(libr, ipos, 0);
return ajTrue;
}
ipos = ajFileResetPos(libr);
}
ajFileSeek(libr, ipos, 0); /* end of file reached */
return ajTrue;
}
/* @obsolete ajFileGets
** @rename ajReadline
*/
__deprecated AjBool ajFileGets(AjPFile thys, AjPStr* pdest)
{
return ajReadline(thys, pdest);
}
AjPMatrix ajMatrixNewFile(const AjPStr filename)
{
AjPMatrix ret = NULL;
AjPStr buffer = NULL;
const AjPStr tok = NULL;
AjPStr firststring = NULL;
AjPStr *orderstring = NULL;
AjPFile file = NULL;
AjBool first = ajTrue;
const char *ptr = NULL;
ajint **matrix = NULL;
ajint minval = -1;
ajint i = 0;
ajint l = 0;
ajint k = 0;
ajint cols = 0;
ajint rows = 0;
ajint *templine = NULL;
AjPList rlabel_list = NULL;
AjPStr *rlabel_arr = NULL;
#ifndef WIN32
static const char *delimstr = " :\t\n";
#else
static const char *delimstr = " :\t\n\r";
#endif
rlabel_list = ajListNew();
firststring = ajStrNew();
file = ajDatafileNewInNameS(filename);
if(!file)
{
ajStrDel(&firststring);
ajListFree(&rlabel_list);
return NULL;
}
/* Read row labels */
while(ajReadline(file,&buffer))
{
ptr = ajStrGetPtr(buffer);
#ifndef WIN32
if(*ptr != '#' && *ptr != '\n')
#else
if(*ptr != '#' && *ptr != '\n' && *ptr != '\r')
#endif
{
if(first)
first = ajFalse;
else
{
ajFmtScanC(ptr, "%S", &firststring);
ajListPushAppend(rlabel_list, firststring);
firststring = ajStrNew();
}
}
}
first = ajTrue;
ajStrDel(&firststring);
rows = ajListToarray(rlabel_list, (void ***) &rlabel_arr);
ajFileSeek(file, 0, 0);
while(ajReadline(file,&buffer))
{
ajStrRemoveWhiteExcess(&buffer);
ptr = ajStrGetPtr(buffer);
if(*ptr && *ptr != '#')
{
if(first)
{
cols = ajStrParseCountC(buffer,delimstr);
AJCNEW0(orderstring, cols);
for(i=0; i<cols; i++)
orderstring[i] = ajStrNew();
tok = ajStrParseC(buffer, " :\t\n");
ajStrAssignS(&orderstring[l++], tok);
while((tok = ajStrParseC(NULL, " :\t\n")))
ajStrAssignS(&orderstring[l++], tok);
first = ajFalse;
ret = ajMatrixNewAsym(orderstring, cols,
rlabel_arr, rows,
filename);
matrix = ret->Matrix;
}
else
{
ajFmtScanC(ptr, "%S", &firststring);
/* JISON 19/7/4
k = ajSeqcvtGetCodeK(ret->Cvt, ajStrGetCharFirst(firststring)); */
k = ajSeqcvtGetCodeS(ret->Cvt, firststring);
/*
** cols+1 is used below because 2nd and subsequent lines have
** one more string in them (the residue label)
*/
templine = ajArrIntLine(buffer,delimstr,2,cols+1);
for(i=0; i<cols; i++)
{
if(templine[i] < minval)
minval = templine[i];
/* JISON 19/7/4
matrix[k][ajSeqcvtGetCodeK(ret->Cvt,
ajStrGetCharFirst(orderstring[i]))]
= templine[i]; */
matrix[k][ajSeqcvtGetCodeAsymS(ret->Cvt,
orderstring[i])]
= templine[i];
}
AJFREE(templine);
}
}
}
ajDebug("fill rest with minimum value %d\n", minval);
ajFileClose(&file);
ajStrDel(&buffer);
for(i=0; i<cols; i++)
ajStrDel(&orderstring[i]);
AJFREE(orderstring);
ajDebug("read matrix file %S\n", filename);
ajStrDel(&firststring);
for(i=0; i<rows; i++)
ajStrDel(&rlabel_arr[i]);
AJFREE(rlabel_arr);
ajListFree(&rlabel_list);
return ret;
}
int main(int argc, char **argv) {
embInitPV("kdnapenny", argc, argv, "KBWS", "1.0.8");
struct soap soap;
char* jobid;
char* result;
AjPSeqall seqall;
AjPSeq seq;
AjPFile outf;
AjPStr substr;
AjPStr inseq = NULL;
seqall = ajAcdGetSeqall("seqall");
outf = ajAcdGetOutfile("outfile");
AjPStr tmp = NULL;
AjPStr tmpFileName = NULL;
AjPSeqout fil_file;
AjPStr line = NULL;
AjPStr sizestr = NULL;
ajint thissize = 0;
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__runDnapenny( &soap, NULL, NULL, in0, &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");
if ( soap_call_ns1__getResult( &soap, NULL, NULL, jobid, &result ) == SOAP_OK ) {
substr = ajStrNewC(result);
ajFmtPrintF(outf,"%S\n",substr);
} else {
soap_print_fault(&soap, stderr);
}
ajSysFileUnlinkS(tmpFileName);
soap_destroy(&soap);
soap_end(&soap);
soap_done(&soap);
ajFileClose(&outf);
ajSeqallDel(&seqall);
ajSeqDel(&seq);
ajStrDel(&substr);
embExit();
return 0;
}
AjPMatrixf ajMatrixfNewFile(const AjPStr filename)
{
AjPMatrixf ret = NULL;
AjPStr *orderstring = NULL;
AjPStr buffer = NULL;
AjPStr firststring = NULL;
AjPStr reststring = NULL;
const AjPStr tok = NULL;
ajint len = 0;
ajint i = 0;
ajint l = 0;
ajint k = 0;
ajint cols = 0;
ajint rows = 0;
const char *ptr = NULL;
AjPFile file = NULL;
AjBool first = ajTrue;
float **matrix = NULL;
float *templine = NULL;
float minval = -1.0;
AjPList rlabel_list = NULL;
AjPStr *rlabel_arr = NULL;
#ifndef WIN32
static const char *delimstr = " :\t\n";
#else
static const char *delimstr = " :\t\n\r";
#endif
rlabel_list = ajListNew();
firststring = ajStrNew();
reststring = ajStrNew();
file = ajDatafileNewInNameS(filename);
if(!file)
{
ajStrDel(&firststring);
ajStrDel(&reststring);
return NULL;
}
/* Read row labels */
while(ajReadline(file,&buffer))
{
ptr = ajStrGetPtr(buffer);
#ifndef WIN32
if(*ptr != '#' && *ptr != '\n')
#else
if(*ptr != '#' && *ptr != '\n' && *ptr != '\r')
#endif
{
if(first)
first = ajFalse;
else
{
ajFmtScanC(ptr, "%S", &firststring);
ajListPushAppend(rlabel_list, firststring);
firststring = ajStrNew();
}
}
}
first = ajTrue;
ajStrDel(&firststring);
rows = ajListToarray(rlabel_list, (void ***) &rlabel_arr);
ajFileSeek(file, 0, 0);
while(ajReadline(file,&buffer))
{
ajStrRemoveWhiteExcess(&buffer);
ptr = ajStrGetPtr(buffer);
if(*ptr && *ptr != '#')
{
if(first)
{
cols = ajStrParseCountC(buffer,delimstr);
AJCNEW0(orderstring, cols);
for(i=0; i<cols; i++)
orderstring[i] = ajStrNew();
tok = ajStrParseC(buffer, " :\t\n");
ajStrAssignS(&orderstring[l++], tok);
while((tok = ajStrParseC(NULL, " :\t\n")))
ajStrAssignS(&orderstring[l++], tok);
first = ajFalse;
ret = ajMatrixfNewAsym(orderstring, cols,
rlabel_arr, rows,
filename);
matrix = ret->Matrixf;
}
else
{
ajFmtScanC(ptr, "%S", &firststring);
/* JISON 19/7/4
k = ajSeqcvtGetCodeK(ret->Cvt,
ajStrGetCharFirst(firststring)); */
k = ajSeqcvtGetCodeS(ret->Cvt, firststring);
len = MAJSTRGETLEN(firststring);
ajStrAssignSubC(&reststring, ptr, len, -1);
/*
** Must discard the first string (label) and use
** reststring otherwise ajArrFloatLine would fail (it
** cannot convert a string to a float)
**
** Use cols,1,cols in below because although 2nd and
** subsequent lines have one more string in them (the
** residue label in the 1st column) we've discarded that
** from the string that's passed
*/
templine = ajArrFloatLine(reststring,delimstr,1,cols);
for(i=0; i<cols; i++)
{
if(templine[i] < minval)
minval = templine[i];
/* JISON 19/7/4
matrix[k][ajSeqcvtGetCodeK(ret->Cvt,
ajStrGetCharFirst(orderstring[i]))]
= templine[i]; */
matrix[k][ajSeqcvtGetCodeAsymS(ret->Cvt,
orderstring[i])]
= templine[i];
}
AJFREE(templine);
}
}
}
ajDebug("fill rest with minimum value %d\n", minval);
ajFileClose(&file);
ajStrDel(&buffer);
for(i=0; i<cols; i++)
ajStrDel(&orderstring[i]);
AJFREE(orderstring);
ajDebug("read matrix file %S\n", filename);
ajStrDel(&firststring);
ajStrDel(&reststring);
for(i=0; i<rows; i++)
ajStrDel(&rlabel_arr[i]);
AJFREE(rlabel_arr);
ajListFree(&rlabel_list);
return ret;
}
