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/*
* distancecommand.cpp
* Mothur
*
* Created by Sarah Westcott on 5/7/09.
* Copyright 2009 Schloss Lab UMASS Amherst. All rights reserved.
*
*/
#include "distancecommand.h"
//**********************************************************************************************************************
vector<string> DistanceCommand::setParameters(){
try {
CommandParameter pcolumn("column", "InputTypes", "", "", "none", "none", "OldFastaColumn","column",false,false); parameters.push_back(pcolumn);
CommandParameter poldfasta("oldfasta", "InputTypes", "", "", "none", "none", "OldFastaColumn","",false,false); parameters.push_back(poldfasta);
CommandParameter pfasta("fasta", "InputTypes", "", "", "none", "none", "none","phylip-column",false,true, true); parameters.push_back(pfasta);
CommandParameter poutput("output", "Multiple", "column-lt-square-phylip", "column", "", "", "","phylip-column",false,false, true); parameters.push_back(poutput);
CommandParameter pcalc("calc", "Multiple", "nogaps-eachgap-onegap", "onegap", "", "", "","",false,false); parameters.push_back(pcalc);
CommandParameter pcountends("countends", "Boolean", "", "T", "", "", "","",false,false); parameters.push_back(pcountends);
CommandParameter pcompress("compress", "Boolean", "", "F", "", "", "","",false,false); parameters.push_back(pcompress);
CommandParameter pprocessors("processors", "Number", "", "1", "", "", "","",false,false, true); parameters.push_back(pprocessors);
CommandParameter pcutoff("cutoff", "Number", "", "1.0", "", "", "","",false,false, true); parameters.push_back(pcutoff);
CommandParameter pinputdir("inputdir", "String", "", "", "", "", "","",false,false); parameters.push_back(pinputdir);
CommandParameter poutputdir("outputdir", "String", "", "", "", "", "","",false,false); parameters.push_back(poutputdir);
vector<string> myArray;
for (int i = 0; i < parameters.size(); i++) { myArray.push_back(parameters[i].name); }
return myArray;
}
catch(exception& e) {
m->errorOut(e, "DistanceCommand", "setParameters");
exit(1);
}
}
//**********************************************************************************************************************
string DistanceCommand::getHelpString(){
try {
string helpString = "";
helpString += "The dist.seqs command reads a file containing sequences and creates a distance file.\n";
helpString += "The dist.seqs command parameters are fasta, oldfasta, column, calc, countends, output, compress, cutoff and processors. \n";
helpString += "The fasta parameter is required, unless you have a valid current fasta file.\n";
helpString += "The oldfasta and column parameters allow you to append the distances calculated to the column file.\n";
helpString += "The calc parameter allows you to specify the method of calculating the distances. Your options are: nogaps, onegap or eachgap. The default is onegap.\n";
helpString += "The countends parameter allows you to specify whether to include terminal gaps in distance. Your options are: T or F. The default is T.\n";
helpString += "The cutoff parameter allows you to specify maximum distance to keep. The default is 1.0.\n";
helpString += "The output parameter allows you to specify format of your distance matrix. Options are column, lt, and square. The default is column.\n";
helpString += "The processors parameter allows you to specify number of processors to use. The default is 1.\n";
helpString += "The compress parameter allows you to indicate that you want the resulting distance file compressed. The default is false.\n";
helpString += "The dist.seqs command should be in the following format: \n";
helpString += "dist.seqs(fasta=yourFastaFile, calc=yourCalc, countends=yourEnds, cutoff= yourCutOff, processors=yourProcessors) \n";
helpString += "Example dist.seqs(fasta=amazon.fasta, calc=eachgap, countends=F, cutoff= 2.0, processors=3).\n";
helpString += "Note: No spaces between parameter labels (i.e. calc), '=' and parameters (i.e.yourCalc).\n";
return helpString;
}
catch(exception& e) {
m->errorOut(e, "DistanceCommand", "getHelpString");
exit(1);
}
}
//**********************************************************************************************************************
string DistanceCommand::getOutputPattern(string type) {
try {
string pattern = "";
if (type == "phylip") { pattern = "[filename],[outputtag],dist"; }
else if (type == "column") { pattern = "[filename],dist"; }
else { m->mothurOut("[ERROR]: No definition for type " + type + " output pattern.\n"); m->control_pressed = true; }
return pattern;
}
catch(exception& e) {
m->errorOut(e, "DistanceCommand", "getOutputPattern");
exit(1);
}
}
//**********************************************************************************************************************
DistanceCommand::DistanceCommand(){
try {
abort = true; calledHelp = true;
setParameters();
vector<string> tempOutNames;
outputTypes["phylip"] = tempOutNames;
outputTypes["column"] = tempOutNames;
}
catch(exception& e) {
m->errorOut(e, "DistanceCommand", "DistanceCommand");
exit(1);
}
}
//**********************************************************************************************************************
DistanceCommand::DistanceCommand(string option) {
try {
abort = false; calledHelp = false;
Estimators.clear();
//allow user to run help
if(option == "help") { help(); abort = true; calledHelp = true; }
else if(option == "citation") { citation(); abort = true; calledHelp = true;}
else {
vector<string> myArray = setParameters();
OptionParser parser(option);
map<string, string> parameters = parser.getParameters();
ValidParameters validParameter("dist.seqs");
map<string, string>::iterator it2;
//check to make sure all parameters are valid for command
for (it2 = parameters.begin(); it2 != parameters.end(); it2++) {
if (validParameter.isValidParameter(it2->first, myArray, it2->second) != true) { abort = true; }
}
//initialize outputTypes
vector<string> tempOutNames;
outputTypes["phylip"] = tempOutNames;
outputTypes["column"] = tempOutNames;
//if the user changes the input directory command factory will send this info to us in the output parameter
string inputDir = validParameter.validFile(parameters, "inputdir", false);
if (inputDir == "not found"){ inputDir = ""; }
else {
string path;
it2 = parameters.find("fasta");
//user has given a template file
if(it2 != parameters.end()){
path = m->hasPath(it2->second);
//if the user has not given a path then, add inputdir. else leave path alone.
if (path == "") { parameters["fasta"] = inputDir + it2->second; }
}
it2 = parameters.find("oldfasta");
//user has given a template file
if(it2 != parameters.end()){
path = m->hasPath(it2->second);
//if the user has not given a path then, add inputdir. else leave path alone.
if (path == "") { parameters["oldfasta"] = inputDir + it2->second; }
}
it2 = parameters.find("column");
//user has given a template file
if(it2 != parameters.end()){
path = m->hasPath(it2->second);
//if the user has not given a path then, add inputdir. else leave path alone.
if (path == "") { parameters["column"] = inputDir + it2->second; }
}
}
//check for required parameters
fastafile = validParameter.validFile(parameters, "fasta", true);
if (fastafile == "not found") {
fastafile = m->getFastaFile();
if (fastafile != "") { m->mothurOut("Using " + fastafile + " as input file for the fasta parameter."); m->mothurOutEndLine();
ifstream inFASTA;
m->openInputFile(fastafile, inFASTA);
alignDB = SequenceDB(inFASTA);
inFASTA.close();
}else { m->mothurOut("You have no current fastafile and the fasta parameter is required."); m->mothurOutEndLine(); abort = true; }
}else if (fastafile == "not open") { abort = true; }
else{
ifstream inFASTA;
m->openInputFile(fastafile, inFASTA);
alignDB = SequenceDB(inFASTA);
inFASTA.close();
m->setFastaFile(fastafile);
}
oldfastafile = validParameter.validFile(parameters, "oldfasta", true);
if (oldfastafile == "not found") { oldfastafile = ""; }
else if (oldfastafile == "not open") { abort = true; }
column = validParameter.validFile(parameters, "column", true);
if (column == "not found") { column = ""; }
else if (column == "not open") { abort = true; }
else { m->setColumnFile(column); }
//if the user changes the output directory command factory will send this info to us in the output parameter
outputDir = validParameter.validFile(parameters, "outputdir", false); if (outputDir == "not found"){
outputDir = "";
outputDir += m->hasPath(fastafile); //if user entered a file with a path then preserve it
}
//check for optional parameter and set defaults
// ...at some point should added some additional type checking...
calc = validParameter.validFile(parameters, "calc", false);
if (calc == "not found") { calc = "onegap"; }
else {
if (calc == "default") { calc = "onegap"; }
}
m->splitAtDash(calc, Estimators);
string temp;
temp = validParameter.validFile(parameters, "countends", false); if(temp == "not found"){ temp = "T"; }
convert(temp, countends);
temp = validParameter.validFile(parameters, "cutoff", false); if(temp == "not found"){ temp = "1.0"; }
m->mothurConvert(temp, cutoff);
temp = validParameter.validFile(parameters, "processors", false); if (temp == "not found"){ temp = m->getProcessors(); }
m->setProcessors(temp);
m->mothurConvert(temp, processors);
temp = validParameter.validFile(parameters, "compress", false); if(temp == "not found"){ temp = "F"; }
convert(temp, compress);
output = validParameter.validFile(parameters, "output", false); if(output == "not found"){ output = "column"; }
if (output == "phylip") { output = "lt"; }
if (((column != "") && (oldfastafile == "")) || ((column == "") && (oldfastafile != ""))) { m->mothurOut("If you provide column or oldfasta, you must provide both."); m->mothurOutEndLine(); abort=true; }
if ((column != "") && (oldfastafile != "") && (output != "column")) { m->mothurOut("You have provided column and oldfasta, indicating you want to append distances to your column file. Your output must be in column format to do so."); m->mothurOutEndLine(); abort=true; }
if ((output != "column") && (output != "lt") && (output != "square")) { m->mothurOut(output + " is not a valid output form. Options are column, lt and square. I will use column."); m->mothurOutEndLine(); output = "column"; }
}
}
catch(exception& e) {
m->errorOut(e, "DistanceCommand", "DistanceCommand");
exit(1);
}
}
//**********************************************************************************************************************
int DistanceCommand::execute(){
try {
if (abort == true) { if (calledHelp) { return 0; } return 2; }
int startTime = time(NULL);
//save number of new sequence
numNewFasta = alignDB.getNumSeqs();
//sanity check the oldfasta and column file as well as add oldfasta sequences to alignDB
if ((oldfastafile != "") && (column != "")) { if (!(sanityCheck())) { return 0; } }
if (m->control_pressed) { return 0; }
int numSeqs = alignDB.getNumSeqs();
cutoff += 0.005;
if (!alignDB.sameLength()) { m->mothurOut("[ERROR]: your sequences are not the same length, aborting."); m->mothurOutEndLine(); return 0; }
string outputFile;
map<string, string> variables;
variables["[filename]"] = outputDir + m->getRootName(m->getSimpleName(fastafile));
if (output == "lt") { //does the user want lower triangle phylip formatted file
variables["[outputtag]"] = "phylip";
outputFile = getOutputFileName("phylip", variables);
m->mothurRemove(outputFile); outputTypes["phylip"].push_back(outputFile);
//output numSeqs to phylip formatted dist file
}else if (output == "column") { //user wants column format
outputFile = getOutputFileName("column", variables);
outputTypes["column"].push_back(outputFile);
//so we don't accidentally overwrite
if (outputFile == column) {
string tempcolumn = column + ".old";
rename(column.c_str(), tempcolumn.c_str());
}
m->mothurRemove(outputFile);
}else { //assume square
variables["[outputtag]"] = "square";
outputFile = getOutputFileName("phylip", variables);
m->mothurRemove(outputFile);
outputTypes["phylip"].push_back(outputFile);
}
#ifdef USE_MPI
int pid, start, end;
int tag = 2001;
MPI_Status status;
MPI_Comm_size(MPI_COMM_WORLD, &processors); //set processors to the number of mpi processes running
MPI_Comm_rank(MPI_COMM_WORLD, &pid); //find out who we are
//each process gets where it should start and stop in the file
if (output != "square") {
start = int (sqrt(float(pid)/float(processors)) * numSeqs);
end = int (sqrt(float(pid+1)/float(processors)) * numSeqs);
}else{
start = int ((float(pid)/float(processors)) * numSeqs);
end = int ((float(pid+1)/float(processors)) * numSeqs);
}
if (output == "column") {
MPI_File outMPI;
int amode=MPI_MODE_CREATE|MPI_MODE_WRONLY;
//char* filename = new char[outputFile.length()];
//memcpy(filename, outputFile.c_str(), outputFile.length());
char filename[1024];
strcpy(filename, outputFile.c_str());
MPI_File_open(MPI_COMM_WORLD, filename, amode, MPI_INFO_NULL, &outMPI);
//delete filename;
if (pid == 0) { //you are the root process
//do your part
string outputMyPart;
driverMPI(start, end, outMPI, cutoff);
if (m->control_pressed) { outputTypes.clear(); MPI_File_close(&outMPI); return 0; }
//wait on chidren
for(int i = 1; i < processors; i++) {
if (m->control_pressed) { outputTypes.clear(); MPI_File_close(&outMPI); return 0; }
char buf[5];
MPI_Recv(buf, 5, MPI_CHAR, i, tag, MPI_COMM_WORLD, &status);
}
}else { //you are a child process
//do your part
driverMPI(start, end, outMPI, cutoff);
if (m->control_pressed) { outputTypes.clear(); MPI_File_close(&outMPI); return 0; }
char buf[5];
strcpy(buf, "done");
//tell parent you are done.
MPI_Send(buf, 5, MPI_CHAR, 0, tag, MPI_COMM_WORLD);
}
MPI_File_close(&outMPI);
}else { //lower triangle format
if (pid == 0) { //you are the root process
//do your part
string outputMyPart;
unsigned long long mySize;
if (output != "square"){ driverMPI(start, end, outputFile, mySize); }
else { driverMPI(start, end, outputFile, mySize, output); }
if (m->control_pressed) { outputTypes.clear(); return 0; }
int amode=MPI_MODE_APPEND|MPI_MODE_WRONLY|MPI_MODE_CREATE; //
MPI_File outMPI;
MPI_File inMPI;
//char* filename = new char[outputFile.length()];
//memcpy(filename, outputFile.c_str(), outputFile.length());
char filename[1024];
strcpy(filename, outputFile.c_str());
MPI_File_open(MPI_COMM_SELF, filename, amode, MPI_INFO_NULL, &outMPI);
//delete filename;
//wait on chidren
for(int b = 1; b < processors; b++) {
unsigned long long fileSize;
if (m->control_pressed) { outputTypes.clear(); MPI_File_close(&outMPI); return 0; }
MPI_Recv(&fileSize, 1, MPI_LONG, b, tag, MPI_COMM_WORLD, &status);
string outTemp = outputFile + toString(b) + ".temp";
char* buf = new char[outTemp.length()];
memcpy(buf, outTemp.c_str(), outTemp.length());
MPI_File_open(MPI_COMM_SELF, buf, MPI_MODE_DELETE_ON_CLOSE|MPI_MODE_RDONLY, MPI_INFO_NULL, &inMPI);
delete buf;
int count = 0;
while (count < fileSize) {
char buf2[1];
MPI_File_read(inMPI, buf2, 1, MPI_CHAR, &status);
MPI_File_write(outMPI, buf2, 1, MPI_CHAR, &status);
count += 1;
}
MPI_File_close(&inMPI); //deleted on close
}
MPI_File_close(&outMPI);
}else { //you are a child process
//do your part
unsigned long long size;
if (output != "square"){ driverMPI(start, end, (outputFile + toString(pid) + ".temp"), size); }
else { driverMPI(start, end, (outputFile + toString(pid) + ".temp"), size, output); }
if (m->control_pressed) { return 0; }
//tell parent you are done.
MPI_Send(&size, 1, MPI_LONG, 0, tag, MPI_COMM_WORLD);
}
}
MPI_Barrier(MPI_COMM_WORLD); //make everyone wait - just in case
#else
//#if defined (__APPLE__) || (__MACH__) || (linux) || (__linux) || (__linux__) || (__unix__) || (__unix)
//if you don't need to fork anything
if(processors == 1){
if (output != "square") { driver(0, numSeqs, outputFile, cutoff); }
else { driver(0, numSeqs, outputFile, "square"); }
}else{ //you have multiple processors
unsigned long long numDists = 0;
if (output == "square") {
numDists = numSeqs * numSeqs;
}else {
for(int i=0;i<numSeqs;i++){
for(int j=0;j<i;j++){
numDists++;
if (numDists > processors) { break; }
}
}
}
if (numDists < processors) { processors = numDists; }
for (int i = 0; i < processors; i++) {
distlinePair tempLine;
lines.push_back(tempLine);
if (output != "square") {
lines[i].start = int (sqrt(float(i)/float(processors)) * numSeqs);
lines[i].end = int (sqrt(float(i+1)/float(processors)) * numSeqs);
}else{
lines[i].start = int ((float(i)/float(processors)) * numSeqs);
lines[i].end = int ((float(i+1)/float(processors)) * numSeqs);
}
}
createProcesses(outputFile);
}
//#else
//ifstream inFASTA;
//if (output != "square") { driver(0, numSeqs, outputFile, cutoff); }
//else { driver(0, numSeqs, outputFile, "square"); }
//#endif
#endif
if (m->control_pressed) { outputTypes.clear(); m->mothurRemove(outputFile); return 0; }
#ifdef USE_MPI
MPI_Comm_rank(MPI_COMM_WORLD, &pid);
if (pid == 0) { //only one process should output to screen
#endif
//if (output == "square") { convertMatrix(outputFile); }
ifstream fileHandle;
fileHandle.open(outputFile.c_str());
if(fileHandle) {
m->gobble(fileHandle);
if (fileHandle.eof()) { m->mothurOut(outputFile + " is blank. This can result if there are no distances below your cutoff."); m->mothurOutEndLine(); }
}
//append the old column file to the new one
if ((oldfastafile != "") && (column != "")) {
//we had to rename the column file so we didnt overwrite above, but we want to keep old name
if (outputFile == column) {
string tempcolumn = column + ".old";
m->appendFiles(tempcolumn, outputFile);
m->mothurRemove(tempcolumn);
}else{
m->appendFiles(outputFile, column);
m->mothurRemove(outputFile);
outputFile = column;
}
if (outputDir != "") {
string newOutputName = outputDir + m->getSimpleName(outputFile);
rename(outputFile.c_str(), newOutputName.c_str());
m->mothurRemove(outputFile);
outputFile = newOutputName;
}
}
#ifdef USE_MPI
}
#endif
if (m->control_pressed) { outputTypes.clear(); m->mothurRemove(outputFile); return 0; }
//set phylip file as new current phylipfile
string current = "";
itTypes = outputTypes.find("phylip");
if (itTypes != outputTypes.end()) {
if ((itTypes->second).size() != 0) { current = (itTypes->second)[0]; m->setPhylipFile(current); }
}
//set column file as new current columnfile
itTypes = outputTypes.find("column");
if (itTypes != outputTypes.end()) {
if ((itTypes->second).size() != 0) { current = (itTypes->second)[0]; m->setColumnFile(current); }
}
m->mothurOutEndLine();
m->mothurOut("Output File Names: "); m->mothurOutEndLine();
m->mothurOut(outputFile); m->mothurOutEndLine();
m->mothurOutEndLine();
m->mothurOut("It took " + toString(time(NULL) - startTime) + " to calculate the distances for " + toString(numSeqs) + " sequences."); m->mothurOutEndLine();
if (m->isTrue(compress)) {
m->mothurOut("Compressing..."); m->mothurOutEndLine();
m->mothurOut("(Replacing " + outputFile + " with " + outputFile + ".gz)"); m->mothurOutEndLine();
system(("gzip -v " + outputFile).c_str());
outputNames.push_back(outputFile + ".gz");
}else { outputNames.push_back(outputFile); }
return 0;
}
catch(exception& e) {
m->errorOut(e, "DistanceCommand", "execute");
exit(1);
}
}
/**************************************************************************************************/
void DistanceCommand::createProcesses(string filename) {
try {
#if defined (__APPLE__) || (__MACH__) || (linux) || (__linux) || (__linux__) || (__unix__) || (__unix)
int process = 1;
processIDS.clear();
//loop through and create all the processes you want
while (process != processors) {
int pid = fork();
if (pid > 0) {
processIDS.push_back(pid); //create map from line number to pid so you can append files in correct order later
process++;
}else if (pid == 0){
if (output != "square") { driver(lines[process].start, lines[process].end, filename + toString(getpid()) + ".temp", cutoff); }
else { driver(lines[process].start, lines[process].end, filename + toString(getpid()) + ".temp", "square"); }
exit(0);
}else {
m->mothurOut("[ERROR]: unable to spawn the necessary processes. Error code: " + toString(pid)); m->mothurOutEndLine();
perror(" : ");
for (int i=0;i<processIDS.size();i++) { int temp = processIDS[i]; kill (temp, SIGINT); }
exit(0);
}
}
//parent does its part
if (output != "square") { driver(lines[0].start, lines[0].end, filename, cutoff); }
else { driver(lines[0].start, lines[0].end, filename, "square"); }
//force parent to wait until all the processes are done
for (int i=0;i<processIDS.size();i++) {
int temp = processIDS[i];
wait(&temp);
}
#else
//////////////////////////////////////////////////////////////////////////////////////////////////////
//Windows version shared memory, so be careful when passing variables through the distanceData struct.
//Above fork() will clone, so memory is separate, but that's not the case with windows,
//that's why the distance calculator was moved inside of the driver to make separate copies.
//////////////////////////////////////////////////////////////////////////////////////////////////////
vector<distanceData*> pDataArray; //[processors-1];
DWORD dwThreadIdArray[processors-1];
HANDLE hThreadArray[processors-1];
//Create processor-1 worker threads.
for( int i=0; i<processors-1; i++ ){
// Allocate memory for thread data.
distanceData* tempDist = new distanceData(lines[i+1].start, lines[i+1].end, (filename + toString(i) + ".temp"), cutoff, alignDB, Estimators, m, output, numNewFasta, countends);
pDataArray.push_back(tempDist);
processIDS.push_back(i);
//MyDistThreadFunction is in header. It must be global or static to work with the threads.
//default security attributes, thread function name, argument to thread function, use default creation flags, returns the thread identifier
hThreadArray[i] = CreateThread(NULL, 0, MyDistThreadFunction, pDataArray[i], 0, &dwThreadIdArray[i]);
}
//do your part
if (output != "square") { driver(lines[0].start, lines[0].end, filename, cutoff); }
else { driver(lines[0].start, lines[0].end, filename, "square"); }
//Wait until all threads have terminated.
WaitForMultipleObjects(processors-1, hThreadArray, TRUE, INFINITE);
//Close all thread handles and free memory allocations.
for(int i=0; i < pDataArray.size(); i++){
if (pDataArray[i]->count != (pDataArray[i]->endLine-pDataArray[i]->startLine)) {
m->mothurOut("[ERROR]: process " + toString(i) + " only processed " + toString(pDataArray[i]->count) + " of " + toString(pDataArray[i]->endLine-pDataArray[i]->startLine) + " sequences assigned to it, quitting. \n"); m->control_pressed = true;
}
CloseHandle(hThreadArray[i]);
delete pDataArray[i];
}
#endif
//append and remove temp files
for (int i=0;i<processIDS.size();i++) {
m->appendFiles((filename + toString(processIDS[i]) + ".temp"), filename);
m->mothurRemove((filename + toString(processIDS[i]) + ".temp"));
}
}
catch(exception& e) {
m->errorOut(e, "DistanceCommand", "createProcesses");
exit(1);
}
}
/**************************************************************************************************/
/////// need to fix to work with calcs and sequencedb
int DistanceCommand::driver(int startLine, int endLine, string dFileName, float cutoff){
try {
ValidCalculators validCalculator;
Dist* distCalculator;
if (m->isTrue(countends) == true) {
for (int i=0; i<Estimators.size(); i++) {
if (validCalculator.isValidCalculator("distance", Estimators[i]) == true) {
if (Estimators[i] == "nogaps") { distCalculator = new ignoreGaps(); }
else if (Estimators[i] == "eachgap") { distCalculator = new eachGapDist(); }
else if (Estimators[i] == "onegap") { distCalculator = new oneGapDist(); }
}
}
}else {
for (int i=0; i<Estimators.size(); i++) {
if (validCalculator.isValidCalculator("distance", Estimators[i]) == true) {
if (Estimators[i] == "nogaps") { distCalculator = new ignoreGaps(); }
else if (Estimators[i] == "eachgap"){ distCalculator = new eachGapIgnoreTermGapDist(); }
else if (Estimators[i] == "onegap") { distCalculator = new oneGapIgnoreTermGapDist(); }
}
}
}
int startTime = time(NULL);
//column file
ofstream outFile(dFileName.c_str(), ios::trunc);
outFile.setf(ios::fixed, ios::showpoint);
outFile << setprecision(4);
if((output == "lt") && startLine == 0){ outFile << alignDB.getNumSeqs() << endl; }
for(int i=startLine;i<endLine;i++){
if(output == "lt") {
string name = alignDB.get(i).getName();
if (name.length() < 10) { //pad with spaces to make compatible
while (name.length() < 10) { name += " "; }
}
outFile << name << '\t';
}
for(int j=0;j<i;j++){
if (m->control_pressed) { delete distCalculator; outFile.close(); return 0; }
//if there was a column file given and we are appending, we don't want to calculate the distances that are already in the column file
//the alignDB contains the new sequences and then the old, so if i an oldsequence and j is an old sequence then break out of this loop
if ((i >= numNewFasta) && (j >= numNewFasta)) { break; }
distCalculator->calcDist(alignDB.get(i), alignDB.get(j));
double dist = distCalculator->getDist();
if(dist <= cutoff){
if (output == "column") { outFile << alignDB.get(i).getName() << ' ' << alignDB.get(j).getName() << ' ' << dist << endl; }
}
if (output == "lt") { outFile << dist << '\t'; }
}
if (output == "lt") { outFile << endl; }
if(i % 100 == 0){
m->mothurOutJustToScreen(toString(i) + "\t" + toString(time(NULL) - startTime)+"\n");
}
}
m->mothurOutJustToScreen(toString(endLine-1) + "\t" + toString(time(NULL) - startTime)+"\n");
outFile.close();
delete distCalculator;
return 1;
}
catch(exception& e) {
m->errorOut(e, "DistanceCommand", "driver");
exit(1);
}
}
/**************************************************************************************************/
/////// need to fix to work with calcs and sequencedb
int DistanceCommand::driver(int startLine, int endLine, string dFileName, string square){
try {
ValidCalculators validCalculator;
Dist* distCalculator;
if (m->isTrue(countends) == true) {
for (int i=0; i<Estimators.size(); i++) {
if (validCalculator.isValidCalculator("distance", Estimators[i]) == true) {
if (Estimators[i] == "nogaps") { distCalculator = new ignoreGaps(); }
else if (Estimators[i] == "eachgap") { distCalculator = new eachGapDist(); }
else if (Estimators[i] == "onegap") { distCalculator = new oneGapDist(); }
}
}
}else {
for (int i=0; i<Estimators.size(); i++) {
if (validCalculator.isValidCalculator("distance", Estimators[i]) == true) {
if (Estimators[i] == "nogaps") { distCalculator = new ignoreGaps(); }
else if (Estimators[i] == "eachgap"){ distCalculator = new eachGapIgnoreTermGapDist(); }
else if (Estimators[i] == "onegap") { distCalculator = new oneGapIgnoreTermGapDist(); }
}
}
}
int startTime = time(NULL);
//column file
ofstream outFile(dFileName.c_str(), ios::trunc);
outFile.setf(ios::fixed, ios::showpoint);
outFile << setprecision(4);
if(startLine == 0){ outFile << alignDB.getNumSeqs() << endl; }
for(int i=startLine;i<endLine;i++){
string name = alignDB.get(i).getName();
//pad with spaces to make compatible
if (name.length() < 10) { while (name.length() < 10) { name += " "; } }
outFile << name << '\t';
for(int j=0;j<alignDB.getNumSeqs();j++){
if (m->control_pressed) { delete distCalculator; outFile.close(); return 0; }
distCalculator->calcDist(alignDB.get(i), alignDB.get(j));
double dist = distCalculator->getDist();
outFile << dist << '\t';
}
outFile << endl;
if(i % 100 == 0){
m->mothurOutJustToScreen(toString(i) + "\t" + toString(time(NULL) - startTime)+"\n");
}
}
m->mothurOutJustToScreen(toString(endLine-1) + "\t" + toString(time(NULL) - startTime)+"\n");
outFile.close();
delete distCalculator;
return 1;
}
catch(exception& e) {
m->errorOut(e, "DistanceCommand", "driver");
exit(1);
}
}
#ifdef USE_MPI
/**************************************************************************************************/
/////// need to fix to work with calcs and sequencedb
int DistanceCommand::driverMPI(int startLine, int endLine, MPI_File& outMPI, float cutoff){
try {
ValidCalculators validCalculator;
Dist* distCalculator;
if (m->isTrue(countends) == true) {
for (int i=0; i<Estimators.size(); i++) {
if (validCalculator.isValidCalculator("distance", Estimators[i]) == true) {
if (Estimators[i] == "nogaps") { distCalculator = new ignoreGaps(); }
else if (Estimators[i] == "eachgap") { distCalculator = new eachGapDist(); }
else if (Estimators[i] == "onegap") { distCalculator = new oneGapDist(); }
}
}
}else {
for (int i=0; i<Estimators.size(); i++) {
if (validCalculator.isValidCalculator("distance", Estimators[i]) == true) {
if (Estimators[i] == "nogaps") { distCalculator = new ignoreGaps(); }
else if (Estimators[i] == "eachgap"){ distCalculator = new eachGapIgnoreTermGapDist(); }
else if (Estimators[i] == "onegap") { distCalculator = new oneGapIgnoreTermGapDist(); }
}
}
}
MPI_Status status;
int startTime = time(NULL);
string outputString = "";
for(int i=startLine;i<endLine;i++){
for(int j=0;j<i;j++){
if (m->control_pressed) { delete distCalculator; return 0; }
//if there was a column file given and we are appending, we don't want to calculate the distances that are already in the column file
//the alignDB contains the new sequences and then the old, so if i an oldsequence and j is an old sequence then break out of this loop
if ((i >= numNewFasta) && (j >= numNewFasta)) { break; }
distCalculator->calcDist(alignDB.get(i), alignDB.get(j));
double dist = distCalculator->getDist();
if(dist <= cutoff){
outputString += (alignDB.get(i).getName() + ' ' + alignDB.get(j).getName() + ' ' + toString(dist) + '\n');
}
}
if(i % 100 == 0){
m->mothurOutJustToScreen(toString(i) + "\t" + toString(time(NULL) - startTime)+"\n");
}
//send results to parent
int length = outputString.length();
char* buf = new char[length];
memcpy(buf, outputString.c_str(), length);
MPI_File_write_shared(outMPI, buf, length, MPI_CHAR, &status);
outputString = "";
delete buf;
}
m->mothurOutJustToScreen(toString(endLine-1) + "\t" + toString(time(NULL) - startTime)+"\n");
delete distCalculator;
return 1;
}
catch(exception& e) {
m->errorOut(e, "DistanceCommand", "driverMPI");
exit(1);
}
}
/**************************************************************************************************/
/////// need to fix to work with calcs and sequencedb
int DistanceCommand::driverMPI(int startLine, int endLine, string file, unsigned long long& size){
try {
ValidCalculators validCalculator;
Dist* distCalculator;
if (m->isTrue(countends) == true) {
for (int i=0; i<Estimators.size(); i++) {
if (validCalculator.isValidCalculator("distance", Estimators[i]) == true) {
if (Estimators[i] == "nogaps") { distCalculator = new ignoreGaps(); }
else if (Estimators[i] == "eachgap") { distCalculator = new eachGapDist(); }
else if (Estimators[i] == "onegap") { distCalculator = new oneGapDist(); }
}
}
}else {
for (int i=0; i<Estimators.size(); i++) {
if (validCalculator.isValidCalculator("distance", Estimators[i]) == true) {
if (Estimators[i] == "nogaps") { distCalculator = new ignoreGaps(); }
else if (Estimators[i] == "eachgap"){ distCalculator = new eachGapIgnoreTermGapDist(); }
else if (Estimators[i] == "onegap") { distCalculator = new oneGapIgnoreTermGapDist(); }
}
}
}
MPI_Status status;
MPI_File outMPI;
int amode=MPI_MODE_CREATE|MPI_MODE_WRONLY;
//char* filename = new char[file.length()];
//memcpy(filename, file.c_str(), file.length());
char filename[1024];
strcpy(filename, file.c_str());
MPI_File_open(MPI_COMM_SELF, filename, amode, MPI_INFO_NULL, &outMPI);
//delete filename;
int startTime = time(NULL);
string outputString = "";
size = 0;
if(startLine == 0){ outputString += toString(alignDB.getNumSeqs()) + "\n"; }
for(int i=startLine;i<endLine;i++){
string name = alignDB.get(i).getName();
if (name.length() < 10) { //pad with spaces to make compatible
while (name.length() < 10) { name += " "; }
}
outputString += name + "\t";
for(int j=0;j<i;j++){
if (m->control_pressed) { delete distCalculator; return 0; }
distCalculator->calcDist(alignDB.get(i), alignDB.get(j));
double dist = distCalculator->getDist();
outputString += toString(dist) + "\t";
}
outputString += "\n";
if(i % 100 == 0){
m->mothurOutJustToScreen(toString(i) + "\t" + toString(time(NULL) - startTime)+"\n"); }
//send results to parent
int length = outputString.length();
char* buf = new char[length];
memcpy(buf, outputString.c_str(), length);
MPI_File_write(outMPI, buf, length, MPI_CHAR, &status);
size += outputString.length();
outputString = "";
delete buf;
}
m->mothurOutJustToScreen(toString(endLine-1) + "\t" + toString(time(NULL) - startTime)+"\n");
MPI_File_close(&outMPI);
delete distCalculator;
return 1;
}
catch(exception& e) {
m->errorOut(e, "DistanceCommand", "driverMPI");
exit(1);
}
}
/**************************************************************************************************/
/////// need to fix to work with calcs and sequencedb
int DistanceCommand::driverMPI(int startLine, int endLine, string file, unsigned long long& size, string square){
try {
ValidCalculators validCalculator;
Dist* distCalculator;
if (m->isTrue(countends) == true) {
for (int i=0; i<Estimators.size(); i++) {
if (validCalculator.isValidCalculator("distance", Estimators[i]) == true) {
if (Estimators[i] == "nogaps") { distCalculator = new ignoreGaps(); }
else if (Estimators[i] == "eachgap") { distCalculator = new eachGapDist(); }
else if (Estimators[i] == "onegap") { distCalculator = new oneGapDist(); }
}
}
}else {
for (int i=0; i<Estimators.size(); i++) {
if (validCalculator.isValidCalculator("distance", Estimators[i]) == true) {
if (Estimators[i] == "nogaps") { distCalculator = new ignoreGaps(); }
else if (Estimators[i] == "eachgap"){ distCalculator = new eachGapIgnoreTermGapDist(); }
else if (Estimators[i] == "onegap") { distCalculator = new oneGapIgnoreTermGapDist(); }
}
}
}
MPI_Status status;
MPI_File outMPI;
int amode=MPI_MODE_CREATE|MPI_MODE_WRONLY;
//char* filename = new char[file.length()];
//memcpy(filename, file.c_str(), file.length());
char filename[1024];
strcpy(filename, file.c_str());
MPI_File_open(MPI_COMM_SELF, filename, amode, MPI_INFO_NULL, &outMPI);
//delete filename;
int startTime = time(NULL);
string outputString = "";
size = 0;
if(startLine == 0){ outputString += toString(alignDB.getNumSeqs()) + "\n"; }
for(int i=startLine;i<endLine;i++){
string name = alignDB.get(i).getName();
if (name.length() < 10) { //pad with spaces to make compatible
while (name.length() < 10) { name += " "; }
}
outputString += name + "\t";
for(int j=0;j<alignDB.getNumSeqs();j++){
if (m->control_pressed) { delete distCalculator; return 0; }
distCalculator->calcDist(alignDB.get(i), alignDB.get(j));
double dist = distCalculator->getDist();
outputString += toString(dist) + "\t";
}
outputString += "\n";
if(i % 100 == 0){
m->mothurOutJustToScreen(toString(i) + "\t" + toString(time(NULL) - startTime)+"\n");
}
//send results to parent
int length = outputString.length();
char* buf = new char[length];
memcpy(buf, outputString.c_str(), length);
MPI_File_write(outMPI, buf, length, MPI_CHAR, &status);
size += outputString.length();
outputString = "";
delete buf;
}
m->mothurOutJustToScreen(toString(endLine-1) + "\t" + toString(time(NULL) - startTime)+"\n");
MPI_File_close(&outMPI);
delete distCalculator;
return 1;
}
catch(exception& e) {
m->errorOut(e, "DistanceCommand", "driverMPI");
exit(1);
}
}
#endif
/**************************************************************************************************
int DistanceCommand::convertMatrix(string outputFile) {
try{
//sort file by first column so the distances for each row are together
string outfile = m->getRootName(outputFile) + "sorted.dist.temp";
//use the unix sort
#if defined (__APPLE__) || (__MACH__) || (linux) || (__linux) || (__linux__) || (__unix__) || (__unix)
string command = "sort -n " + outputFile + " -o " + outfile;
system(command.c_str());
#else //sort using windows sort
string command = "sort " + outputFile + " /O " + outfile;
system(command.c_str());
#endif
//output to new file distance for each row and save positions in file where new row begins
ifstream in;
m->openInputFile(outfile, in);
ofstream out;
m->openOutputFile(outputFile, out);
out.setf(ios::fixed, ios::floatfield); out.setf(ios::showpoint);
out << alignDB.getNumSeqs() << endl;
//get first currentRow
string first, currentRow, second;
float dist;
map<string, float> rowDists; //take advantage of the fact that maps are already sorted by key
map<string, float>::iterator it;
in >> first;
currentRow = first;
rowDists[first] = 0.00; //distance to yourself is 0.0
in.seekg(0);
//m->openInputFile(outfile, in);
while(!in.eof()) {
if (m->control_pressed) { in.close(); m->mothurRemove(outfile); out.close(); return 0; }
in >> first >> second >> dist; m->gobble(in);
if (first != currentRow) {
//print out last row
out << currentRow << '\t'; //print name
//print dists
for (it = rowDists.begin(); it != rowDists.end(); it++) {
out << it->second << '\t';
}
out << endl;
//start new row
currentRow = first;
rowDists.clear();
rowDists[first] = 0.00;
rowDists[second] = dist;
}else{
rowDists[second] = dist;
}
}
//print out last row
out << currentRow << '\t'; //print name
//print dists
for (it = rowDists.begin(); it != rowDists.end(); it++) {
out << it->second << '\t';
}
out << endl;
in.close();
out.close();
m->mothurRemove(outfile);
return 1;
}
catch(exception& e) {
m->errorOut(e, "DistanceCommand", "convertMatrix");
exit(1);
}
}
**************************************************************************************************
int DistanceCommand::convertToLowerTriangle(string outputFile) {
try{
//sort file by first column so the distances for each row are together
string outfile = m->getRootName(outputFile) + "sorted.dist.temp";
//use the unix sort
#if defined (__APPLE__) || (__MACH__) || (linux) || (__linux) || (__linux__) || (__unix__) || (__unix)
string command = "sort -n " + outputFile + " -o " + outfile;
system(command.c_str());
#else //sort using windows sort
string command = "sort " + outputFile + " /O " + outfile;
system(command.c_str());
#endif
//output to new file distance for each row and save positions in file where new row begins
ifstream in;
m->openInputFile(outfile, in);
ofstream out;
m->openOutputFile(outputFile, out);
out.setf(ios::fixed, ios::floatfield); out.setf(ios::showpoint);
out << alignDB.getNumSeqs() << endl;
//get first currentRow
string first, currentRow, second;
float dist;
int i, j;
i = 0; j = 0;
map<string, float> rowDists; //take advantage of the fact that maps are already sorted by key
map<string, float>::iterator it;
in >> first;
currentRow = first;
rowDists[first] = 0.00; //distance to yourself is 0.0
in.seekg(0);
//m->openInputFile(outfile, in);
while(!in.eof()) {
if (m->control_pressed) { in.close(); m->mothurRemove(outfile); out.close(); return 0; }
in >> first >> second >> dist; m->gobble(in);
if (first != currentRow) {
//print out last row
out << currentRow << '\t'; //print name
//print dists
for (it = rowDists.begin(); it != rowDists.end(); it++) {
if (j >= i) { break; }
out << it->second << '\t';
j++;
}
out << endl;
//start new row
currentRow = first;
rowDists.clear();
rowDists[first] = 0.00;
rowDists[second] = dist;
j = 0;
i++;
}else{
rowDists[second] = dist;
}
}
//print out last row
out << currentRow << '\t'; //print name
//print dists
for (it = rowDists.begin(); it != rowDists.end(); it++) {
out << it->second << '\t';
}
out << endl;
in.close();
out.close();
m->mothurRemove(outfile);
return 1;
}
catch(exception& e) {
m->errorOut(e, "DistanceCommand", "convertToLowerTriangle");
exit(1);
}
}
**************************************************************************************************/
//its okay if the column file does not contain all the names in the fasta file, since some distance may have been above a cutoff,
//but no sequences can be in the column file that are not in oldfasta. also, if a distance is above the cutoff given then remove it.
//also check to make sure the 2 files have the same alignment length.
bool DistanceCommand::sanityCheck() {
try{
bool good = true;
//make sure the 2 fasta files have the same alignment length
ifstream in;
m->openInputFile(fastafile, in);
int fastaAlignLength = 0;
if (in) {
Sequence tempIn(in);
fastaAlignLength = tempIn.getAligned().length();
}
in.close();
ifstream in2;
m->openInputFile(oldfastafile, in2);
int oldfastaAlignLength = 0;
if (in2) {
Sequence tempIn2(in2);
oldfastaAlignLength = tempIn2.getAligned().length();
}
in2.close();
if (fastaAlignLength != oldfastaAlignLength) { m->mothurOut("fasta files do not have the same alignment length."); m->mothurOutEndLine(); return false; }
//read fasta file and save names as well as adding them to the alignDB
set<string> namesOldFasta;
ifstream inFasta;
m->openInputFile(oldfastafile, inFasta);
while (!inFasta.eof()) {
if (m->control_pressed) { inFasta.close(); return good; }
Sequence temp(inFasta);
if (temp.getName() != "") {
namesOldFasta.insert(temp.getName()); //save name
alignDB.push_back(temp); //add to DB
}
m->gobble(inFasta);
}
inFasta.close();
//read through the column file checking names and removing distances above the cutoff
ifstream inDist;
m->openInputFile(column, inDist);
ofstream outDist;
string outputFile = column + ".temp";
m->openOutputFile(outputFile, outDist);
string name1, name2;
float dist;
while (!inDist.eof()) {
if (m->control_pressed) { inDist.close(); outDist.close(); m->mothurRemove(outputFile); return good; }
inDist >> name1 >> name2 >> dist; m->gobble(inDist);
//both names are in fasta file and distance is below cutoff
if ((namesOldFasta.count(name1) == 0) || (namesOldFasta.count(name2) == 0)) { good = false; break; }
else{
if (dist <= cutoff) {
outDist << name1 << '\t' << name2 << '\t' << dist << endl;
}
}
}
inDist.close();
outDist.close();
if (good) {
m->mothurRemove(column);
rename(outputFile.c_str(), column.c_str());
}else{
m->mothurRemove(outputFile); //temp file is bad because file mismatch above
}
return good;
}
catch(exception& e) {
m->errorOut(e, "DistanceCommand", "sanityCheck");
exit(1);
}
}
/**************************************************************************************************/
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