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/*
* clustercommand.cpp
* Dotur
*
* Created by Sarah Westcott on 1/2/09.
* Copyright 2009 Schloss Lab UMASS Amherst. All rights reserved.
*
*/
#include "clustercommand.h"
#include "readphylip.h"
#include "readcolumn.h"
#include "readmatrix.hpp"
#include "sequence.hpp"
#include "systemcommand.h"
#include "sensspeccommand.h"
#include "mcc.hpp"
#include "sensitivity.hpp"
#include "specificity.hpp"
#include "fdr.hpp"
#include "npv.hpp"
#include "ppv.hpp"
#include "f1score.hpp"
#include "tp.hpp"
#include "fp.hpp"
#include "fpfn.hpp"
#include "tptn.hpp"
#include "tn.hpp"
#include "fn.hpp"
#include "accuracy.hpp"
//**********************************************************************************************************************
vector<string> ClusterCommand::setParameters(){
try {
CommandParameter pphylip("phylip", "InputTypes", "", "", "PhylipColumnFasta", "PhylipColumnFasta", "none","list",false,false,true); parameters.push_back(pphylip);
CommandParameter pfasta("fasta", "InputTypes", "", "", "PhylipColumnFasta", "PhylipColumnFasta", "FastaTaxName","list",false,false,true); parameters.push_back(pfasta);
CommandParameter pname("name", "InputTypes", "", "", "NameCount", "none", "ColumnName-FastaTaxName","rabund-sabund",false,false,true); parameters.push_back(pname);
CommandParameter pcount("count", "InputTypes", "", "", "NameCount", "none", "","",false,false,true); parameters.push_back(pcount);
CommandParameter pcolumn("column", "InputTypes", "", "", "PhylipColumnFasta", "PhylipColumnFasta", "ColumnName","list",false,false,true); parameters.push_back(pcolumn);
CommandParameter pcutoff("cutoff", "Number", "", "0.03", "", "", "","",false,false,true); parameters.push_back(pcutoff);
CommandParameter pprecision("precision", "Number", "", "100", "", "", "","",false,false); parameters.push_back(pprecision);
CommandParameter pmethod("method", "Multiple", "furthest-nearest-average-weighted-agc-dgc-opti-unique", "opti", "", "", "","",false,false,true); parameters.push_back(pmethod);
CommandParameter pinitialize("initialize", "Multiple", "oneotu-singleton", "singleton", "", "", "","",false,false,true); parameters.push_back(pinitialize);
CommandParameter pmetric("metric", "Multiple", "mcc-sens-spec-tptn-fpfn-tp-tn-fp-fn-f1score-accuracy-ppv-npv-fdr", "mcc", "", "", "","",false,false,true); parameters.push_back(pmetric);
CommandParameter pmetriccutoff("delta", "Number", "", "0.0001", "", "", "","",false,false,true); parameters.push_back(pmetriccutoff);
CommandParameter piters("iters", "Number", "", "100", "", "", "","",false,false,true); parameters.push_back(piters);
CommandParameter pshowabund("showabund", "Boolean", "", "T", "", "", "","",false,false); parameters.push_back(pshowabund);
CommandParameter ptiming("timing", "Boolean", "", "F", "", "", "","",false,false); parameters.push_back(ptiming);
CommandParameter psim("sim", "Boolean", "", "F", "", "", "","",false,false); parameters.push_back(psim);
CommandParameter pvsearchlocation("vsearch", "String", "", "", "", "", "","",false,false); parameters.push_back(pvsearchlocation);
CommandParameter pseed("seed", "Number", "", "0", "", "", "","",false,false); parameters.push_back(pseed);
CommandParameter pinputdir("inputdir", "String", "", "", "", "", "","",false,false); parameters.push_back(pinputdir);
CommandParameter pprocessors("processors", "Number", "", "1", "", "", "","",false,false,true); parameters.push_back(pprocessors);
CommandParameter poutputdir("outputdir", "String", "", "", "", "", "","",false,false); parameters.push_back(poutputdir);
abort = false; calledHelp = false;
vector<string> tempOutNames;
outputTypes["list"] = tempOutNames;
outputTypes["sensspec"] = tempOutNames;
outputTypes["rabund"] = tempOutNames;
outputTypes["sabund"] = tempOutNames;
outputTypes["steps"] = tempOutNames;
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, "ClusterCommand", "setParameters");
exit(1);
}
}
//**********************************************************************************************************************
string ClusterCommand::getHelpString(){
try {
string helpString = "";
helpString += "The cluster command parameter options are phylip, column, name, count, method, cutoff, precision, sim, showabund, timing, metric, iters, initialize. Fasta or Phylip or column and name are required.\n";
helpString += "The phylip and column parameter allow you to enter your distance file. \n";
helpString += "The fasta parameter allows you to enter your fasta file for use with the agc or dgc methods. \n";
helpString += "The name parameter allows you to enter your name file. \n";
helpString += "The count parameter allows you to enter your count file. \n A count or name file is required if your distance file is in column format.\n";
helpString += "The iters parameter allow you to set the maxiters for the opticluster method. \n";
helpString += "The metric parameter allows to select the metric in the opticluster method. Options are Matthews correlation coefficient (mcc), sensitivity (sens), specificity (spec), true positives + true negatives (tptn), false positives + false negatives (fpfn), true positives (tp), true negative (tn), false positive (fp), false negative (fn), f1score (f1score), accuracy (accuracy), positive predictive value (ppv), negative predictive value (npv), false discovery rate (fdr). Default=mcc.\n";
helpString += "The initialize parameter allows to select the initial randomization for the opticluster method. Options are singleton, meaning each sequence is randomly assigned to its own OTU, or oneotu meaning all sequences are assigned to one otu. Default=singleton.\n";
helpString += "The delta parameter allows to set the stable value for the metric in the opticluster method (delta=0.0001). \n";
helpString += "The method parameter allows you to enter your clustering mothod. Options are furthest, nearest, average, weighted, agc, dgc, unique and opti. Default=opti. The agc and dgc methods require a fasta file.";
helpString += "The processors parameter allows you to specify the number of processors to use. The default is 1.\n";
helpString += "The vsearch parameter allows you to specify the name and location of your vsearch executable if using agc or dgc clustering methods. By default mothur will look in your path, mothur's executable and mothur tools locations. You can set the vsearch location as follows, vsearch=/usr/bin/vsearch.\n";
helpString += "The cluster command should be in the following format: \n";
helpString += "cluster(method=yourMethod, cutoff=yourCutoff, precision=yourPrecision) \n";
return helpString;
}
catch(exception& e) {
m->errorOut(e, "ClusterCommand", "getHelpString");
exit(1);
}
}
//**********************************************************************************************************************
string ClusterCommand::getOutputPattern(string type) {
try {
string pattern = "";
if (type == "list") { pattern = "[filename],[clustertag],list-[filename],[clustertag],[tag2],list"; }
else if (type == "rabund") { pattern = "[filename],[clustertag],rabund"; }
else if (type == "sabund") { pattern = "[filename],[clustertag],sabund"; }
else if (type == "sensspec") { pattern = "[filename],[clustertag],sensspec"; }
else if (type == "steps") { pattern = "[filename],[clustertag],steps"; }
else { m->mothurOut("[ERROR]: No definition for type " + type + " output pattern.\n"); m->setControl_pressed(true); }
return pattern;
}
catch(exception& e) {
m->errorOut(e, "ClusterCommand", "getOutputPattern");
exit(1);
}
}
//**********************************************************************************************************************
//This function checks to make sure the cluster command has no errors and then clusters based on the method chosen.
ClusterCommand::ClusterCommand(string option) : Command() {
try{
//allow user to run help
if(option == "help") { help(); abort = true; calledHelp = true; }
else if(option == "citation") { citation(); abort = true; calledHelp = true;}
else if(option == "category") { abort = true; calledHelp = true; }
else {
OptionParser parser(option, setParameters());
map<string,string> parameters = parser.getParameters();
ValidParameters validParameter;
//check for required parameters
phylipfile = validParameter.validFile(parameters, "phylip");
if (phylipfile == "not open") { phylipfile = ""; abort = true; }
else if (phylipfile == "not found") { phylipfile = ""; }
else { distfile = phylipfile; format = "phylip"; current->setPhylipFile(phylipfile); }
columnfile = validParameter.validFile(parameters, "column");
if (columnfile == "not open") { columnfile = ""; abort = true; }
else if (columnfile == "not found") { columnfile = ""; }
else { distfile = columnfile; format = "column"; current->setColumnFile(columnfile); }
fastafile = validParameter.validFile(parameters, "fasta");
if (fastafile == "not open") { abort = true; }
else if (fastafile == "not found") { fastafile = ""; }
else { distfile = fastafile; format = "fasta"; current->setFastaFile(fastafile); }
namefile = validParameter.validFile(parameters, "name");
if (namefile == "not open") { abort = true; }
else if (namefile == "not found") { namefile = ""; }
else { current->setNameFile(namefile); }
countfile = validParameter.validFile(parameters, "count");
if (countfile == "not open") { abort = true; countfile = ""; }
else if (countfile == "not found") { countfile = ""; }
else { current->setCountFile(countfile); }
method = validParameter.valid(parameters, "method");
if (method == "not found") { method = "opti";}
vector<string> versionOutputs;
bool foundTool = false;
string programName = "vsearch"; programName += EXECUTABLE_EXT;
vsearchLocation = validParameter.validPath(parameters, "vsearch");
if (vsearchLocation == "not found") {
vsearchLocation = "";
if ((method == "agc") || (method == "dgc")) {
foundTool = util.findTool(programName, vsearchLocation, versionOutputs, current->getLocations());
}
}
else {
if ((method == "agc") || (method == "dgc")) {
//test to make sure vsearch exists
ifstream in;
vsearchLocation = util.getFullPathName(vsearchLocation);
bool ableToOpen = util.openInputFile(vsearchLocation, in, "no error"); in.close();
if(!ableToOpen) {
m->mothurOut(vsearchLocation + " file does not exist or cannot be opened, ignoring.\n"); vsearchLocation = "";
programName = util.getSimpleName(vsearchLocation); vsearchLocation = "";
foundTool = util.findTool(programName, vsearchLocation, versionOutputs, current->getLocations());
}
}
}
if ((method == "furthest") || (method == "nearest") || (method == "average") || (method == "weighted") || (method == "agc") || (method == "dgc") || (method == "opti") || (method == "unique")) { }
else { m->mothurOut("[ERROR]: Not a valid clustering method. Valid clustering algorithms are furthest, nearest, average, weighted, agc, dgc, unique and opti.\n"); abort = true; }
if (method != "unique") {
if ((phylipfile == "") && (columnfile == "") && (fastafile == "")) {
//is there are current file available for either of these?
//give priority to column, then phylip
columnfile = current->getColumnFile();
if (columnfile != "") { distfile = columnfile; format = "column"; m->mothurOut("Using " + columnfile + " as input file for the column parameter.\n"); }
else {
phylipfile = current->getPhylipFile();
if (phylipfile != "") { distfile = phylipfile; format = "phylip"; m->mothurOut("Using " + phylipfile + " as input file for the phylip parameter.\n"); }
else {
fastafile = current->getFastaFile();
if (fastafile != "") { distfile = fastafile; format = "fasta"; m->mothurOut("Using " + fastafile + " as input file for the fasta parameter.\n"); }
else {
m->mothurOut("No valid current files. You must provide a phylip, column or fasta file before you can use the cluster command, unless using the unique method.\n");
abort = true;
}
}
}
}
else if (((phylipfile != "") && (columnfile != "")) || ((phylipfile != "") && (fastafile != "")) || ((fastafile != "") && (columnfile != ""))) { m->mothurOut("When executing a cluster command you must enter ONLY ONE of the following: phylip, column or fasta.\n"); abort = true; }
if (columnfile != "") {
if ((namefile == "") && (countfile == "")){
namefile = current->getNameFile();
if (namefile != "") { m->mothurOut("Using " + namefile + " as input file for the name parameter.\n"); }
else {
countfile = current->getCountFile();
if (countfile != "") { m->mothurOut("Using " + countfile + " as input file for the count parameter.\n"); }
else {
m->mothurOut("You need to provide a namefile or countfile if you are going to use the column format.\n");
abort = true;
}
}
}
}
if ((method != "agc") && (method != "dgc")) {
if ((columnfile == "") && (phylipfile == "")) {
m->mothurOut("[ERROR]: You must provide a distance file unless you are using the agc, dgc or unique clustering methods, aborting\n."); abort = true;
}
}
}else {
if ((countfile == "") && (namefile == "")) {
countfile = current->getCountFile();
if (countfile != "") { distfile = countfile; format = "count"; m->mothurOut("Using " + countfile + " as input file for the count parameter.\n"); }
else {
namefile = current->getNameFile();
if (namefile != "") { distfile = namefile; format = "name"; m->mothurOut("Using " + namefile + " as input file for the name parameter.\n"); }
else {
m->mothurOut("No valid current files. You must provide a count or name file before you can use the cluster command with the unique method.\n");
abort = true;
}
}
}
else if(countfile != "") { format = "count"; }
else if(namefile != "") { format = "name"; }
}
if ((countfile != "") && (namefile != "")) { m->mothurOut("When executing a cluster command you must enter ONLY ONE of the following: count or name.\n"); abort = true; }
//check for optional parameter and set defaults
// ...at some point should added some additional type checking...
//get user cutoff and precision or use defaults
string temp;
temp = validParameter.valid(parameters, "precision");
if (temp == "not found") { temp = "100"; }
//saves precision legnth for formatting below
length = temp.length();
util.mothurConvert(temp, precision);
temp = validParameter.valid(parameters, "sim"); if (temp == "not found") { temp = "F"; }
sim = util.isTrue(temp);
temp = validParameter.valid(parameters, "delta"); if (temp == "not found") { temp = "0.0001"; }
util.mothurConvert(temp, stableMetric);
metricName = validParameter.valid(parameters, "metric"); if (metricName == "not found") { metricName = "mcc"; }
if ((metricName == "mcc") || (metricName == "sens") || (metricName == "spec") || (metricName == "tptn") || (metricName == "tp") || (metricName == "tn") || (metricName == "fp") || (metricName == "fn") || (metricName == "f1score") || (metricName == "accuracy") || (metricName == "ppv") || (metricName == "npv") || (metricName == "fdr") || (metricName == "fpfn") ){ }
else { m->mothurOut("[ERROR]: Not a valid metric. Valid metrics are mcc, sens, spec, tp, tn, fp, fn, tptn, fpfn, f1score, accuracy, ppv, npv, fdr.\n"); abort = true; }
initialize = validParameter.valid(parameters, "initialize"); if (initialize == "not found") { initialize = "singleton"; }
if ((initialize == "singleton") || (initialize == "oneotu")){ }
else { m->mothurOut("[ERROR]: Not a valid initialization. Valid initializations are singleton and oneotu.\n"); abort = true; }
temp = validParameter.valid(parameters, "iters"); if (temp == "not found") { temp = "100"; }
util.mothurConvert(temp, maxIters);
adjust=-1.0;
bool setProcessors = true;
temp = validParameter.valid(parameters, "processors"); if (temp == "not found"){ setProcessors=false; temp = current->getProcessors(); }
processors = current->setProcessors(temp);
if ((method == "agc") || (method == "dgc")) {
if (fastafile == "") { m->mothurOut("[ERROR]: You must provide a fasta file when using the agc or dgc clustering methods, aborting\n."); abort = true;}
}else if (setProcessors) {
m->mothurOut("[WARNING]: You can only use the processors option when using the agc or dgc clustering methods. Using 1 processor.\n.");
}
cutOffSet = false;
temp = validParameter.valid(parameters, "cutoff");
if (temp == "not found") { if ((method == "opti") || (method == "agc") || (method == "dgc")) { temp = "0.03"; }else { temp = "0.15"; } }
else { cutOffSet = true; }
int pos = temp.find('-');
if (pos != string::npos) { //multiple cutoffs given
if ((method == "furthest") || (method == "nearest") || (method == "average") || (method == "weighted")) {
m->mothurOut("[WARNING]: Multiple cutoffs can only be specified when using the agc, dgc or opti method. Using 0.15. \n.");
cutOffSet = false; temp = "0.15";
}else { util.splitAtDash(temp, cutoffs); temp = *cutoffs.begin(); }
}else { cutoffs.insert(temp); }
util.mothurConvert(temp, cutoff);
showabund = validParameter.valid(parameters, "showabund");
if (showabund == "not found") { showabund = "T"; }
timing = validParameter.valid(parameters, "timing");
if (timing == "not found") { timing = "F"; }
}
}
catch(exception& e) {
m->errorOut(e, "ClusterCommand", "ClusterCommand");
exit(1);
}
}
//**********************************************************************************************************************
ClusterCommand::~ClusterCommand(){}
//**********************************************************************************************************************
int ClusterCommand::execute(){
try {
if (abort) { if (calledHelp) { return 0; } return 2; }
//phylip file given and cutoff not given - use cluster.classic because it uses less memory and is faster
if ((format == "phylip") && (!cutOffSet) && (method != "opti")) {
m->mothurOut("\nYou are using a phylip file and no cutoff. I will run cluster.classic to save memory and time.\n");
//run unique.seqs for deconvolute results
string inputString = "phylip=" + distfile;
if (namefile != "") { inputString += ", name=" + namefile; }
else if (countfile != "") { inputString += ", count=" + countfile; }
inputString += ", precision=" + toString(precision);
inputString += ", method=" + method;
if (sim) { inputString += ", sim=T"; }
else { inputString += ", sim=F"; }
m->mothurOut("\n/------------------------------------------------------------/\n");
m->mothurOut("Running command: cluster.classic(" + inputString + ")\n");
Command* clusterClassicCommand = new ClusterDoturCommand(inputString);
clusterClassicCommand->execute();
delete clusterClassicCommand;
m->mothurOut("/------------------------------------------------------------/\n");
return 0;
}
time_t estart = time(nullptr);
if (format == "fasta") { runVsearchCluster(); }
else if (method == "opti") { runOptiCluster(); }
else if (method == "unique") { runUniqueCluster(); }
else { runMothurCluster(); }
if (m->getControl_pressed()) { for (int j = 0; j < outputNames.size(); j++) { util.mothurRemove(outputNames[j]); } return 0; }
m->mothurOut("It took " + toString(time(nullptr) - estart) + " seconds to cluster\n");
//set list file as new current listfile
string currentName = "";
itTypes = outputTypes.find("list");
if (itTypes != outputTypes.end()) {
if ((itTypes->second).size() != 0) { currentName = (itTypes->second)[0]; current->setListFile(currentName); }
}
//set rabund file as new current rabundfile
itTypes = outputTypes.find("rabund");
if (itTypes != outputTypes.end()) {
if ((itTypes->second).size() != 0) { currentName = (itTypes->second)[0]; current->setRabundFile(currentName); }
}
//set sabund file as new current sabundfile
itTypes = outputTypes.find("sabund");
if (itTypes != outputTypes.end()) {
if ((itTypes->second).size() != 0) { currentName = (itTypes->second)[0]; current->setSabundFile(currentName); }
}
m->mothurOut("\nOutput File Names: \n");
for (int i = 0; i < outputNames.size(); i++) { m->mothurOut(outputNames[i] +"\n"); } m->mothurOutEndLine();
return 0;
}
catch(exception& e) {
m->errorOut(e, "ClusterCommand", "execute");
exit(1);
}
}
//**********************************************************************************************************************
int ClusterCommand::runVsearchCluster(){
try {
string vsearchFastafile = ""; VsearchFileParser* vParse;
if ((namefile == "") && (countfile == "")) { vParse = new VsearchFileParser(fastafile); }
else if (namefile != "") { vParse = new VsearchFileParser(fastafile, namefile, "name"); }
else if (countfile != "") { vParse = new VsearchFileParser(fastafile, countfile, "count"); }
else { m->mothurOut("[ERROR]: Opps, should never get here. ClusterCommand::runVsearchCluster() \n"); m->setControl_pressed(true); return 0; }
if (m->getControl_pressed()) { delete vParse; return 0; }
vsearchFastafile = vParse->getVsearchFile();
if (cutoff > 1.0) { m->mothurOut("You did not set a cutoff, using 0.03.\n"); cutoff = 0.03; }
map<string, int> counts;
map<string, string> variables;
if (outputdir == "") { outputdir += util.hasPath(distfile); }
fileroot = outputdir + util.getRootName(util.getSimpleName(distfile)); tag = method;
variables["[filename]"] = fileroot;
variables["[clustertag]"] = tag;
string listFileName = getOutputFileName("list", variables);
outputNames.push_back(listFileName); outputTypes["list"].push_back(listFileName);
ofstream out;
util.openOutputFile(listFileName, out);
bool printHeaders = true;
for (set<string>::iterator it = cutoffs.begin(); it != cutoffs.end(); it++) {
m->mothurOut("\n" + *it + "\n");
util.mothurConvert(*it, cutoff);
//Run vsearch
string ucVsearchFile = util.getSimpleName(vsearchFastafile) + ".clustered.uc";
string logfile = util.getSimpleName(vsearchFastafile) + ".clustered.log";
vsearchDriver(vsearchFastafile, ucVsearchFile, logfile);
if (m->getControl_pressed()) { break; }
//Convert outputted *.uc file into a list file
ListVector list = vParse->createListFile(ucVsearchFile, vParse->getNumBins(logfile), toString(1.0-cutoff), counts);
if (printHeaders) {
printHeaders = false;
}else { list.setPrintedLabels(printHeaders); }
if (countfile != "") { list.print(out, counts); }
else { list.print(out); }
//remove temp files
util.mothurRemove(ucVsearchFile); util.mothurRemove(logfile);
}
out.close();
util.mothurRemove(vsearchFastafile); delete vParse;
if (m->getControl_pressed()) { for (int i = 0; i < outputNames.size(); i++) { util.mothurRemove(outputNames[i]); } return 0; }
return 0;
}
catch(exception& e) {
m->errorOut(e, "ClusterCommand", "runVsearchCluster");
exit(1);
}
}
//**********************************************************************************************************************
int ClusterCommand::vsearchDriver(string inputFile, string ucClusteredFile, string logfile){
try {
//vsearch --maxaccepts 16 --usersort --id 0.97 --minseqlength 30 --wordlength 8 --uc $ROOT.clustered.uc --cluster_smallmem $ROOT.sorted.fna --maxrejects 64 --strand both --log $ROOT.clustered.log --sizeorder
//no sizeorder for dgc
ucClusteredFile = util.getFullPathName(ucClusteredFile);
inputFile = util.getFullPathName(inputFile);
logfile = util.getFullPathName(logfile);
//to allow for spaces in the path
ucClusteredFile = "\"" + ucClusteredFile + "\"";
inputFile = "\"" + inputFile + "\"";
logfile = "\"" + logfile + "\"";
vector<char*> cPara;
string vsearchCommand = vsearchLocation;
vsearchCommand = "\"" + vsearchCommand + "\" ";
vector<char*> vsearchParameters;
vsearchParameters.push_back(util.mothurConvert(vsearchCommand));
//--maxaccepts=16
vsearchParameters.push_back(util.mothurConvert("--maxaccepts=16"));
//--threads=1
string processorsString = "--threads=" + toString(processors);
vsearchParameters.push_back(util.mothurConvert(processorsString));
//--usersort
vsearchParameters.push_back(util.mothurConvert("--usersort"));
//--id=0.97
cutoff = abs(1.0 - cutoff); string cutoffString = toString(cutoff);
if (cutoffString.length() > 4) { cutoffString = cutoffString.substr(0, 4); }
else if (cutoffString.length() < 4) { for (int i = cutoffString.length(); i < 4; i++) { cutoffString += "0"; } }
cutoffString = "--id=" + cutoffString;
vsearchParameters.push_back(util.mothurConvert(cutoffString));
//--minseqlength=30
vsearchParameters.push_back(util.mothurConvert("--minseqlength=30"));
//--wordlength=8
vsearchParameters.push_back(util.mothurConvert("--wordlength=8"));
//--uc=$ROOT.clustered.uc
string tempIn = "--uc=" + ucClusteredFile;
vsearchParameters.push_back(util.mothurConvert(tempIn));
//--cluster_smallmem $ROOT.sorted.fna
string tempSorted = "--cluster_smallmem=" + inputFile;
vsearchParameters.push_back(util.mothurConvert(tempSorted));
//--maxrejects=64
vsearchParameters.push_back(util.mothurConvert("--maxrejects=64"));
//--strand=both
vsearchParameters.push_back(util.mothurConvert("--strand=both"));
//--log=$ROOT.clustered.log
string tempLog = "--log=" + logfile;
vsearchParameters.push_back(util.mothurConvert(tempLog));
if (method == "agc") { //--sizeorder
vsearchParameters.push_back(util.mothurConvert("--sizeorder"));
}
if (m->getDebug()) { m->mothurOut("[DEBUG]: "); for(int i = 0; i < vsearchParameters.size(); i++) { m->mothurOut(toString(vsearchParameters[i]) + "\t"); } m->mothurOut("\n"); }
string commandString = "";
for (int i = 0; i < vsearchParameters.size(); i++) { commandString += toString(vsearchParameters[i]) + " "; }
#if defined NON_WINDOWS
#else
commandString = "\"" + commandString + "\"";
#endif
if (m->getDebug()) { m->mothurOut("[DEBUG]: vsearch cluster command = " + commandString + ".\n"); }
system(commandString.c_str());
//free memory
for(int i = 0; i < vsearchParameters.size(); i++) { delete vsearchParameters[i]; }
//remove "" from filenames
ucClusteredFile = ucClusteredFile.substr(1, ucClusteredFile.length()-2);
inputFile = inputFile.substr(1, inputFile.length()-2);
logfile = logfile.substr(1, logfile.length()-2);
return 0;
}
catch(exception& e) {
m->errorOut(e, "ClusterCommand", "vsearchDriver");
exit(1);
}
}
//**********************************************************************************************************************
int ClusterCommand::runMothurCluster(){
try {
ReadMatrix* read;
if (format == "column") { read = new ReadColumnMatrix(columnfile, sim); } //sim indicates whether its a similarity matrix
else if (format == "phylip") { read = new ReadPhylipMatrix(phylipfile, sim); }
else { m->setControl_pressed(true); return 0; }
read->setCutoff(cutoff);
NameAssignment* nameMap = nullptr;
CountTable* ct = nullptr;
map<string, int> counts;
if(namefile != ""){
nameMap = new NameAssignment(namefile);
nameMap->readMap();
read->read(nameMap);
}else if (countfile != "") {
ct = new CountTable();
ct->readTable(countfile, false, false);
read->read(ct);
counts = ct->getNameMap();
}else { read->read(nameMap); }
list = read->getListVector();
matrix = read->getDMatrix();
if(countfile != "") {
rabund = new RAbundVector();
createRabund(ct, list, rabund); //creates an rabund that includes the counts for the unique list
delete ct;
}else { rabund = new RAbundVector(list->getRAbundVector()); }
delete read;
if (m->getControl_pressed()) { //clean up
delete list; delete matrix; delete rabund; if(countfile == ""){rabundFile.close(); sabundFile.close(); util.mothurRemove((fileroot+ tag + ".rabund")); util.mothurRemove((fileroot+ tag + ".sabund")); }
listFile.close(); util.mothurRemove((fileroot+ tag + ".list")); outputTypes.clear(); return 0;
}
//create cluster
if (method == "furthest") { cluster = new CompleteLinkage(rabund, list, matrix, cutoff, method, adjust); }
else if(method == "nearest"){ cluster = new SingleLinkage(rabund, list, matrix, cutoff, method, adjust); }
else if(method == "average"){ cluster = new AverageLinkage(rabund, list, matrix, cutoff, method, adjust); }
else if(method == "weighted"){ cluster = new WeightedLinkage(rabund, list, matrix, cutoff, method, adjust); }
tag = cluster->getTag();
if (outputdir == "") { outputdir += util.hasPath(distfile); }
fileroot = outputdir + util.getRootName(util.getSimpleName(distfile));
map<string, string> variables;
variables["[filename]"] = fileroot;
variables["[clustertag]"] = tag;
string sabundFileName = getOutputFileName("sabund", variables);
string rabundFileName = getOutputFileName("rabund", variables);
//if (countfile != "") { variables["[tag2]"] = "unique_list"; }
string listFileName = getOutputFileName("list", variables);
if (countfile == "") {
util.openOutputFile(sabundFileName, sabundFile);
util.openOutputFile(rabundFileName, rabundFile);
outputNames.push_back(sabundFileName); outputTypes["sabund"].push_back(sabundFileName);
outputNames.push_back(rabundFileName); outputTypes["rabund"].push_back(rabundFileName);
}
util.openOutputFile(listFileName, listFile);
outputNames.push_back(listFileName); outputTypes["list"].push_back(listFileName);
float previousDist = 0.00000;
float rndPreviousDist = 0.00000;
oldRAbund = *rabund;
oldList = *list;
print_start = true;
start = time(nullptr);
loops = 0;
double saveCutoff = cutoff;
bool printHeaders = true;
while ((matrix->getSmallDist() <= cutoff) && (matrix->getNNodes() > 0)){
if (m->getControl_pressed()) { //clean up
delete list; delete matrix; delete rabund; delete cluster;
if(countfile == "") {rabundFile.close(); sabundFile.close(); util.mothurRemove((fileroot+ tag + ".rabund")); util.mothurRemove((fileroot+ tag + ".sabund")); }
listFile.close(); util.mothurRemove((fileroot+ tag + ".list")); outputTypes.clear(); return 0;
}
if (print_start && util.isTrue(timing)) {
m->mothurOut("Clustering (" + tag + ") dist " + toString(matrix->getSmallDist()) + "/"
+ toString(util.roundDist(matrix->getSmallDist(), precision))
+ "\t(precision: " + toString(precision) + ", Nodes: " + toString(matrix->getNNodes()) + ")");
cout.flush();
print_start = false;
}
cluster->update(cutoff);
float dist = matrix->getSmallDist();
float rndDist = util.ceilDist(dist, precision);
if(previousDist <= 0.0000 && !util.isEqual(dist, previousDist)) { printData("unique", counts, printHeaders); }
else if(!util.isEqual(rndDist, rndPreviousDist)) { printData(toString(rndPreviousDist), counts, printHeaders); }
previousDist = dist;
rndPreviousDist = rndDist;
oldRAbund = *rabund;
oldList = *list;
}
if (print_start && util.isTrue(timing)) {
m->mothurOut("Clustering (" + tag + ") for distance " + toString(previousDist) + "/" + toString(rndPreviousDist)
+ "\t(precision: " + toString(precision) + ", Nodes: " + toString(matrix->getNNodes()) + ")");
cout.flush();
print_start = false;
}
if(previousDist <= 0.0000) { printData("unique", counts, printHeaders); }
else if(rndPreviousDist<cutoff) { printData(toString(rndPreviousDist), counts, printHeaders); }
delete matrix;
delete list;
delete rabund;
delete cluster;
if (countfile == "") {
sabundFile.close();
rabundFile.close();
}
listFile.close();
if (!util.isEqual(saveCutoff, cutoff)) {
saveCutoff = util.ceilDist(saveCutoff, precision);
m->mothurOut("changed cutoff to " + toString(cutoff)+"\n");
}
return 0;
}
catch(exception& e) {
m->errorOut(e, "ClusterCommand", "runMothurCluster");
exit(1);
}
}
//**********************************************************************************************************************
void ClusterCommand::printData(string label, map<string, int>& counts, bool& ph){
try {
oldList.setPrintedLabels(ph); ph = false;
if (util.isTrue(timing)) {
m->mothurOut("\tTime: " + toString(time(nullptr) - start) + "\tsecs for " + toString(oldRAbund.getNumBins())
+ "\tclusters. Updates: " + toString(loops)+"\n");
}
print_start = true;
loops = 0;
start = time(nullptr);
oldRAbund.setLabel(label);
if (countfile == "") {
oldRAbund.print(rabundFile);
oldRAbund.getSAbundVector().print(sabundFile);
}
if (util.isTrue(showabund)) {
oldRAbund.getSAbundVector().print(cout);
}
oldList.setLabel(label);
if(countfile != "") {
oldList.print(listFile, counts);
}else {
oldList.print(listFile);
}
}
catch(exception& e) {
m->errorOut(e, "ClusterCommand", "printData");
exit(1);
}
}
//**********************************************************************************************************************
int ClusterCommand::createRabund(CountTable*& ct, ListVector*& list, RAbundVector*& rabund){
try {
rabund->setLabel(list->getLabel());
for(int i = 0; i < list->getNumBins(); i++) {
if (m->getControl_pressed()) { break; }
vector<string> binNames;
string bin = list->get(i);
util.splitAtComma(bin, binNames);
int total = 0;
for (int j = 0; j < binNames.size(); j++) { total += ct->getNumSeqs(binNames[j]); }
rabund->push_back(total);
}
return 0;
}
catch(exception& e) {
m->errorOut(e, "ClusterCommand", "createRabund");
exit(1);
}
}
//**********************************************************************************************************************
int ClusterCommand::runOptiCluster(){
try {
if (!cutOffSet) { m->mothurOut("\nYou did not set a cutoff, using 0.03.\n"); cutoff = 0.03; }
m->mothurOut("\nClustering " + distfile+"\n");
ClusterMetric* metric = nullptr;
if (metricName == "mcc") { metric = new MCC(); }
else if (metricName == "sens") { metric = new Sensitivity(); }
else if (metricName == "spec") { metric = new Specificity(); }
else if (metricName == "tptn") { metric = new TPTN(); }
else if (metricName == "tp") { metric = new TP(); }
else if (metricName == "tn") { metric = new TN(); }
else if (metricName == "fp") { metric = new FP(); }
else if (metricName == "fn") { metric = new FN(); }
else if (metricName == "f1score") { metric = new F1Score(); }
else if (metricName == "accuracy") { metric = new Accuracy(); }
else if (metricName == "ppv") { metric = new PPV(); }
else if (metricName == "npv") { metric = new NPV(); }
else if (metricName == "fdr") { metric = new FDR(); }
else if (metricName == "fpfn") { metric = new FPFN(); }
else { return 0; }
string nameOrCount = "";
string thisNamefile = "";
map<string, int> counts;
if (countfile != "") { nameOrCount = "count"; thisNamefile = countfile; CountTable ct; ct.readTable(countfile, false, false); counts = ct.getNameMap(); }
else if (namefile != "") { nameOrCount = "name"; thisNamefile = namefile; }
string distfile = columnfile;
if (format == "phylip") { distfile = phylipfile; }
if (outputdir == "") { outputdir += util.hasPath(distfile); }
fileroot = outputdir + util.getRootName(util.getSimpleName(distfile));
tag = "opti_" + metric->getName();
string listFileName = fileroot+ tag + ".list";
ofstream listFile;
util.openOutputFile(listFileName, listFile);
outputNames.push_back(listFileName); outputTypes["list"].push_back(listFileName);
map<string, string> variables;
variables["[filename]"] = fileroot;
variables["[clustertag]"] = tag;
string outputName = getOutputFileName("steps", variables);
outputNames.push_back(outputName); outputTypes["steps"].push_back(outputName);
ofstream outStep;
util.openOutputFile(outputName, outStep);
string sensspecFilename = fileroot+ tag + ".sensspec";
ofstream sensFile;
util.openOutputFile(sensspecFilename, sensFile);
outputNames.push_back(sensspecFilename); outputTypes["sensspec"].push_back(sensspecFilename);
sensFile << "label\tcutoff\ttp\ttn\tfp\tfn\tsensitivity\tspecificity\tppv\tnpv\tfdr\taccuracy\tmcc\tf1score\n";
m->mothurOut("\n\niter\ttime\tlabel\tnum_otus\tcutoff\ttp\ttn\tfp\tfn\tsensitivity\tspecificity\tppv\tnpv\tfdr\taccuracy\tmcc\tf1score\n");
outStep << "iter\ttime\tlabel\tnum_otus\tcutoff\ttp\ttn\tfp\tfn\tsensitivity\tspecificity\tppv\tnpv\tfdr\taccuracy\tmcc\tf1score\n";
bool printHeaders = true;
for (set<string>::iterator it = cutoffs.begin(); it != cutoffs.end(); it++) {
m->mothurOut("\n" + *it + "\n");
util.mothurConvert(*it, cutoff);
OptiData* matrix = new OptiMatrix(distfile, thisNamefile, nameOrCount, format, cutoff, false);
OptiCluster cluster(matrix, metric, 0);
int iters = 0;
double listVectorMetric = 0; //worst state
double delta = 1;
cluster.initialize(listVectorMetric, true, initialize);
long long numBins = cluster.getNumBins();
double tp, tn, fp, fn;
vector<double> results = cluster.getStats(tp, tn, fp, fn);
m->mothurOut("0\t0\t" + toString(cutoff) + "\t" + toString(numBins) + "\t"+ toString(cutoff) + "\t" + toString(tp) + "\t" + toString(tn) + "\t" + toString(fp) + "\t" + toString(fn) + "\t");
outStep << "0\t0\t" + toString(cutoff) + "\t" + toString(numBins) + "\t" + toString(cutoff) + "\t" << tp << '\t' << tn << '\t' << fp << '\t' << fn << '\t';
for (int i = 0; i < results.size(); i++) { m->mothurOut(toString(results[i]) + "\t"); outStep << results[i] << "\t"; }
m->mothurOutEndLine();
outStep << endl;
while ((delta > stableMetric) && (iters < maxIters)) {
long start = time(nullptr);
if (m->getControl_pressed()) { break; }
double oldMetric = listVectorMetric;
cluster.update(listVectorMetric);
delta = abs(oldMetric - listVectorMetric);
iters++;
results = cluster.getStats(tp, tn, fp, fn);
numBins = cluster.getNumBins();
m->mothurOut(toString(iters) + "\t" + toString(time(nullptr) - start) + "\t" + toString(cutoff) + "\t" + toString(numBins) + "\t" + toString(cutoff) + "\t"+ toString(tp) + "\t" + toString(tn) + "\t" + toString(fp) + "\t" + toString(fn) + "\t");
outStep << (toString(iters) + "\t" + toString(time(nullptr) - start) + "\t" + toString(cutoff) + "\t" + toString(numBins) + "\t" + toString(cutoff) + "\t") << tp << '\t' << tn << '\t' << fp << '\t' << fn << '\t';
for (int i = 0; i < results.size(); i++) { m->mothurOut(toString(results[i]) + "\t"); outStep << results[i] << "\t"; }
m->mothurOutEndLine(); outStep << endl;
}
m->mothurOutEndLine(); m->mothurOutEndLine();
if (m->getControl_pressed()) { delete matrix; delete metric; metric = nullptr; return 0; }
ListVector* list = cluster.getList();
list->setLabel(toString(cutoff));
if (printHeaders) { //only print headers the first time
printHeaders = false;
}else { list->setPrintedLabels(printHeaders); }
if(countfile != "") { list->print(listFile, counts); }
else { list->print(listFile); }
delete list;
results = cluster.getStats(tp, tn, fp, fn);
sensFile << cutoff << '\t' << cutoff << '\t' << tp << '\t' << tn << '\t' << fp << '\t' << fn << '\t';
for (int i = 0; i < results.size(); i++) { sensFile << results[i] << '\t'; } sensFile << '\n';
delete matrix;
}
listFile.close();
sensFile.close();
outStep.close();
return 0;
}
catch(exception& e) {
m->errorOut(e, "ClusterCommand", "runOptiCluster");
exit(1);
}
}
//**********************************************************************************************************************
int ClusterCommand::runUniqueCluster(){
try {
if (countfile != "") { distfile = countfile; }
else if (namefile != "") { distfile = namefile; }
m->mothurOut("\nClustering " + distfile+"\n");
ListVector list; list.setLabel("ASV");
map<string, int> counts;
if (countfile != "") {
CountTable ct; ct.readTable(countfile, false, false); counts = ct.getNameMap();
for (map<string, int>::iterator it = counts.begin(); it != counts.end(); it++) {
if (m->getControl_pressed()) { return 0; }
list.push_back(it->first);
}
}else {
map<string, string> nameMap;
util.readNames(namefile, nameMap);
for (map<string, string>::iterator it = nameMap.begin(); it != nameMap.end(); it++) {
if (m->getControl_pressed()) { return 0; }
list.push_back(it->second);
}
}
if (outputdir == "") { outputdir += util.hasPath(distfile); }
fileroot = outputdir + util.getRootName(util.getSimpleName(distfile));
tag = "unique";
string listFileName = fileroot+ tag + ".list";
ofstream listFile;
util.openOutputFile(listFileName, listFile);
outputNames.push_back(listFileName); outputTypes["list"].push_back(listFileName);
if(countfile != "") { list.print(listFile, counts); }
else { list.print(listFile); }
listFile.close();
map<string, string> variables;
variables["[filename]"] = fileroot;
variables["[clustertag]"] = tag;
string sabundFileName = getOutputFileName("sabund", variables);
string rabundFileName = getOutputFileName("rabund", variables);
if (countfile == "") {
util.openOutputFile(sabundFileName, sabundFile);
util.openOutputFile(rabundFileName, rabundFile);
outputNames.push_back(sabundFileName); outputTypes["sabund"].push_back(sabundFileName);
outputNames.push_back(rabundFileName); outputTypes["rabund"].push_back(rabundFileName);
SAbundVector sabund = list.getSAbundVector();
sabund.print(sabundFile);
sabundFile.close();
RAbundVector rabund = list.getRAbundVector();
rabund.print(rabundFile);
rabundFile.close();
}
return 0;
}
catch(exception& e) {
m->errorOut(e, "ClusterCommand", "runUniqueCluster");
exit(1);
}
}
//**********************************************************************************************************************
|
