--- /dev/null
+/*
+ * pairwiseseqscommand.cpp
+ * Mothur
+ *
+ * Created by westcott on 10/20/10.
+ * Copyright 2010 Schloss Lab. All rights reserved.
+ *
+ */
+
+#include "pairwiseseqscommand.h"
+#include "sequence.hpp"
+
+#include "gotohoverlap.hpp"
+#include "needlemanoverlap.hpp"
+#include "blastalign.hpp"
+#include "noalign.hpp"
+#include "nast.hpp"
+
+#include "ignoregaps.h"
+#include "eachgapdist.h"
+#include "eachgapignore.h"
+#include "onegapdist.h"
+#include "onegapignore.h"
+
+
+//**********************************************************************************************************************
+vector<string> PairwiseSeqsCommand::getValidParameters(){
+ try {
+ string AlignArray[] = {"fasta","align","match","mismatch","gapopen","gapextend", "processors","calc","compress","cutoff","countends","output","outputdir","inputdir"};
+ vector<string> myArray (AlignArray, AlignArray+(sizeof(AlignArray)/sizeof(string)));
+ return myArray;
+ }
+ catch(exception& e) {
+ m->errorOut(e, "PairwiseSeqsCommand", "getValidParameters");
+ exit(1);
+ }
+}
+//**********************************************************************************************************************
+vector<string> PairwiseSeqsCommand::getRequiredParameters(){
+ try {
+ string AlignArray[] = {"fasta"};
+ vector<string> myArray (AlignArray, AlignArray+(sizeof(AlignArray)/sizeof(string)));
+ return myArray;
+ }
+ catch(exception& e) {
+ m->errorOut(e, "PairwiseSeqsCommand", "getRequiredParameters");
+ exit(1);
+ }
+}
+//**********************************************************************************************************************
+vector<string> PairwiseSeqsCommand::getRequiredFiles(){
+ try {
+ vector<string> myArray;
+ return myArray;
+ }
+ catch(exception& e) {
+ m->errorOut(e, "PairwiseSeqsCommand", "getRequiredFiles");
+ exit(1);
+ }
+}
+//**********************************************************************************************************************
+PairwiseSeqsCommand::PairwiseSeqsCommand(){
+ try {
+ //initialize outputTypes
+ vector<string> tempOutNames;
+ outputTypes["phylip"] = tempOutNames;
+ outputTypes["column"] = tempOutNames;
+ }
+ catch(exception& e) {
+ m->errorOut(e, "PairwiseSeqsCommand", "PairwiseSeqsCommand");
+ exit(1);
+ }
+}
+//**********************************************************************************************************************
+PairwiseSeqsCommand::PairwiseSeqsCommand(string option) {
+ try {
+ abort = false;
+
+ //allow user to run help
+ if(option == "help") { help(); abort = true; }
+
+ else {
+
+ //valid paramters for this command
+ string AlignArray[] = {"fasta","align","match","mismatch","gapopen","gapextend", "processors","cutoff","compress","calc","countends","output","outputdir","inputdir"};
+ vector<string> myArray (AlignArray, AlignArray+(sizeof(AlignArray)/sizeof(string)));
+
+ OptionParser parser(option);
+ map<string, string> parameters = parser.getParameters();
+
+ ValidParameters validParameter("pairwise.seqs");
+ map<string, string>::iterator it;
+
+ //check to make sure all parameters are valid for command
+ for (it = parameters.begin(); it != parameters.end(); it++) {
+ if (validParameter.isValidParameter(it->first, myArray, it->second) != true) { abort = true; }
+ }
+
+ //initialize outputTypes
+ vector<string> tempOutNames;
+ outputTypes["phylip"] = tempOutNames;
+ outputTypes["column"] = tempOutNames;
+
+ //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 = ""; }
+
+
+ //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 = ""; }
+
+ fastaFileName = validParameter.validFile(parameters, "fasta", false);
+ if (fastaFileName == "not found") { m->mothurOut("fasta is a required parameter for the pairwise.seqs command."); m->mothurOutEndLine(); abort = true; }
+ else {
+ m->splitAtDash(fastaFileName, fastaFileNames);
+
+ //go through files and make sure they are good, if not, then disregard them
+ for (int i = 0; i < fastaFileNames.size(); i++) {
+
+ if (inputDir != "") {
+ string path = m->hasPath(fastaFileNames[i]);
+ //if the user has not given a path then, add inputdir. else leave path alone.
+ if (path == "") { fastaFileNames[i] = inputDir + fastaFileNames[i]; }
+ }
+
+ int ableToOpen;
+ ifstream in;
+
+ ableToOpen = m->openInputFile(fastaFileNames[i], in, "noerror");
+
+ //if you can't open it, try default location
+ if (ableToOpen == 1) {
+ if (m->getDefaultPath() != "") { //default path is set
+ string tryPath = m->getDefaultPath() + m->getSimpleName(fastaFileNames[i]);
+ m->mothurOut("Unable to open " + fastaFileNames[i] + ". Trying default " + tryPath); m->mothurOutEndLine();
+ ableToOpen = m->openInputFile(tryPath, in, "noerror");
+ fastaFileNames[i] = tryPath;
+ }
+ }
+
+ //if you can't open it, try output location
+ if (ableToOpen == 1) {
+ if (m->getOutputDir() != "") { //default path is set
+ string tryPath = m->getOutputDir() + m->getSimpleName(fastaFileNames[i]);
+ m->mothurOut("Unable to open " + fastaFileNames[i] + ". Trying output directory " + tryPath); m->mothurOutEndLine();
+ ableToOpen = m->openInputFile(tryPath, in, "noerror");
+ fastaFileNames[i] = tryPath;
+ }
+ }
+
+ in.close();
+
+ if (ableToOpen == 1) {
+ m->mothurOut("Unable to open " + fastaFileNames[i] + ". It will be disregarded."); m->mothurOutEndLine();
+ //erase from file list
+ fastaFileNames.erase(fastaFileNames.begin()+i);
+ i--;
+ }
+ }
+
+ //make sure there is at least one valid file left
+ if (fastaFileNames.size() == 0) { m->mothurOut("no valid files."); m->mothurOutEndLine(); abort = true; }
+ }
+
+ //check for optional parameter and set defaults
+ // ...at some point should added some additional type checking...
+ string temp;
+ temp = validParameter.validFile(parameters, "match", false); if (temp == "not found"){ temp = "1.0"; }
+ convert(temp, match);
+
+ temp = validParameter.validFile(parameters, "mismatch", false); if (temp == "not found"){ temp = "-1.0"; }
+ convert(temp, misMatch);
+
+ temp = validParameter.validFile(parameters, "gapopen", false); if (temp == "not found"){ temp = "-2.0"; }
+ convert(temp, gapOpen);
+
+ temp = validParameter.validFile(parameters, "gapextend", false); if (temp == "not found"){ temp = "-1.0"; }
+ convert(temp, gapExtend);
+
+ temp = validParameter.validFile(parameters, "processors", false); if (temp == "not found"){ temp = "1"; }
+ convert(temp, processors);
+
+ temp = validParameter.validFile(parameters, "cutoff", false); if(temp == "not found"){ temp = "1.0"; }
+ convert(temp, cutoff);
+
+ temp = validParameter.validFile(parameters, "countends", false); if(temp == "not found"){ temp = "T"; }
+ countends = m->isTrue(temp);
+
+ temp = validParameter.validFile(parameters, "compress", false); if(temp == "not found"){ temp = "F"; }
+ compress = m->isTrue(temp);
+
+ align = validParameter.validFile(parameters, "align", false); if (align == "not found"){ align = "needleman"; }
+
+ output = validParameter.validFile(parameters, "output", false); if(output == "not found"){ output = "column"; }
+ 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"; }
+
+ calc = validParameter.validFile(parameters, "calc", false);
+ if (calc == "not found") { calc = "onegap"; }
+ else {
+ if (calc == "default") { calc = "onegap"; }
+ }
+ m->splitAtDash(calc, Estimators);
+
+ ValidCalculators validCalculator;
+ if (countends) {
+ 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(); }
+ }
+ }
+ }
+ }
+
+ }
+ catch(exception& e) {
+ m->errorOut(e, "PairwiseSeqsCommand", "PairwiseSeqsCommand");
+ exit(1);
+ }
+}
+//**********************************************************************************************************************
+PairwiseSeqsCommand::~PairwiseSeqsCommand(){}
+//**********************************************************************************************************************
+
+void PairwiseSeqsCommand::help(){
+ try {
+ m->mothurOut("The pairwise.seqs command reads a fasta file and creates distance matrix.\n");
+ m->mothurOut("The pairwise.seqs command parameters are fasta, align, match, mismatch, gapopen, gapextend, calc, output, cutoff and processors.\n");
+ m->mothurOut("The fasta parameter is required. You may enter multiple fasta files by separating their names with dashes. ie. fasta=abrecovery.fasta-amzon.fasta \n");
+ m->mothurOut("The align parameter allows you to specify the alignment method to use. Your options are: gotoh, needleman, blast and noalign. The default is needleman.\n");
+ m->mothurOut("The match parameter allows you to specify the bonus for having the same base. The default is 1.0.\n");
+ m->mothurOut("The mistmatch parameter allows you to specify the penalty for having different bases. The default is -1.0.\n");
+ m->mothurOut("The gapopen parameter allows you to specify the penalty for opening a gap in an alignment. The default is -2.0.\n");
+ m->mothurOut("The gapextend parameter allows you to specify the penalty for extending a gap in an alignment. The default is -1.0.\n");
+ m->mothurOut("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");
+ m->mothurOut("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");
+ m->mothurOut("The cutoff parameter allows you to specify maximum distance to keep. The default is 1.0.\n");
+ m->mothurOut("The output parameter allows you to specify format of your distance matrix. Options are column, lt, and square. The default is column.\n");
+ m->mothurOut("The compress parameter allows you to indicate that you want the resulting distance file compressed. The default is false.\n");
+ m->mothurOut("The pairwise.seqs command should be in the following format: \n");
+ m->mothurOut("pairwise.seqs(fasta=yourfastaFile, align=yourAlignmentMethod) \n");
+ m->mothurOut("Example pairwise.seqs(fasta=candidate.fasta, align=blast)\n");
+ m->mothurOut("Note: No spaces between parameter labels (i.e. fasta), '=' and parameters (i.e.yourFastaFile).\n\n");
+ }
+ catch(exception& e) {
+ m->errorOut(e, "PairwiseSeqsCommand", "help");
+ exit(1);
+ }
+}
+
+
+//**********************************************************************************************************************
+
+int PairwiseSeqsCommand::execute(){
+ try {
+ if (abort == true) { return 0; }
+
+ int longestBase = 2000; //will need to update this in driver if we find sequences with more bases. hardcoded so we don't have the pre-read user fasta file.
+
+ if(align == "gotoh") { alignment = new GotohOverlap(gapOpen, gapExtend, match, misMatch, longestBase); }
+ else if(align == "needleman") { alignment = new NeedlemanOverlap(gapOpen, match, misMatch, longestBase); }
+ else if(align == "blast") { alignment = new BlastAlignment(gapOpen, gapExtend, match, misMatch); }
+ else if(align == "noalign") { alignment = new NoAlign(); }
+ else {
+ m->mothurOut(align + " is not a valid alignment option. I will run the command using needleman.");
+ m->mothurOutEndLine();
+ alignment = new NeedlemanOverlap(gapOpen, match, misMatch, longestBase);
+ }
+
+ cutoff += 0.005;
+
+ for (int s = 0; s < fastaFileNames.size(); s++) {
+ if (m->control_pressed) { outputTypes.clear(); return 0; }
+
+ m->mothurOut("Processing sequences from " + fastaFileNames[s] + " ..." ); m->mothurOutEndLine();
+
+ if (outputDir == "") { outputDir += m->hasPath(fastaFileNames[s]); }
+
+ ifstream inFASTA;
+ m->openInputFile(fastaFileNames[s], inFASTA);
+ alignDB = SequenceDB(inFASTA);
+ inFASTA.close();
+
+ int numSeqs = alignDB.getNumSeqs();
+ int startTime = time(NULL);
+ string outputFile = "";
+
+ if (output == "lt") { //does the user want lower triangle phylip formatted file
+ outputFile = outputDir + m->getRootName(m->getSimpleName(fastaFileNames[s])) + "phylip.dist";
+ remove(outputFile.c_str()); outputTypes["phylip"].push_back(outputFile);
+ }else if (output == "column") { //user wants column format
+ outputFile = outputDir + m->getRootName(m->getSimpleName(fastaFileNames[s])) + "dist";
+ outputTypes["column"].push_back(outputFile);
+ remove(outputFile.c_str());
+ }else { //assume square
+ outputFile = outputDir + m->getRootName(m->getSimpleName(fastaFileNames[s])) + "square.dist";
+ remove(outputFile.c_str());
+ 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[1024];
+ strcpy(filename, outputFile.c_str());
+
+ MPI_File_open(MPI_COMM_WORLD, filename, amode, MPI_INFO_NULL, &outMPI);
+
+ 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); remove(outputFile.c_str()); delete distCalculator; return 0; }
+
+ //wait on chidren
+ for(int i = 1; i < processors; i++) {
+ if (m->control_pressed) { outputTypes.clear(); MPI_File_close(&outMPI); remove(outputFile.c_str()); delete distCalculator; 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); remove(outputFile.c_str()); delete distCalculator; 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 int mySize;
+
+ if (output != "square"){ driverMPI(start, end, outputFile, mySize); }
+ else { driverMPI(start, end, outputFile, mySize, output); }
+
+ if (m->control_pressed) { outputTypes.clear(); remove(outputFile.c_str()); delete distCalculator; return 0; }
+
+ int amode=MPI_MODE_APPEND|MPI_MODE_WRONLY|MPI_MODE_CREATE; //
+ MPI_File outMPI;
+ MPI_File inMPI;
+
+ char filename[1024];
+ strcpy(filename, outputFile.c_str());
+
+ MPI_File_open(MPI_COMM_SELF, filename, amode, MPI_INFO_NULL, &outMPI);
+
+ //wait on chidren
+ for(int b = 1; b < processors; b++) {
+ unsigned long int fileSize;
+
+ if (m->control_pressed) { outputTypes.clear(); MPI_File_close(&outMPI); remove(outputFile.c_str()); delete distCalculator; 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 int 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) { delete distCalculator; 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)
+ //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
+
+ for (int i = 0; i < processors; i++) {
+ lines.push_back(new linePair());
+ 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);
+
+ map<int, int>::iterator it = processIDS.begin();
+ rename((outputFile + toString(it->second) + ".temp").c_str(), outputFile.c_str());
+ it++;
+
+ //append and remove temp files
+ for (; it != processIDS.end(); it++) {
+ m->appendFiles((outputFile + toString(it->second) + ".temp"), outputFile);
+ remove((outputFile + toString(it->second) + ".temp").c_str());
+ }
+ }
+ #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(); delete distCalculator; remove(outputFile.c_str()); return 0; }
+
+ #ifdef USE_MPI
+ MPI_Comm_rank(MPI_COMM_WORLD, &pid);
+
+ if (pid == 0) { //only one process should output to screen
+ #endif
+
+ 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(); }
+ }
+
+ if (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); }
+
+ #ifdef USE_MPI
+ }
+ #endif
+
+ m->mothurOut("It took " + toString(time(NULL) - startTime) + " to calculate the distances for " + toString(numSeqs) + " sequences."); m->mothurOutEndLine();
+
+ if (m->control_pressed) { outputTypes.clear(); delete distCalculator; remove(outputFile.c_str()); return 0; }
+ }
+
+ delete distCalculator;
+
+ m->mothurOutEndLine();
+ m->mothurOut("Output File Name: "); m->mothurOutEndLine();
+ for (int i = 0; i < outputNames.size(); i++) { m->mothurOut(outputNames[i]); m->mothurOutEndLine(); }
+ m->mothurOutEndLine();
+
+
+ return 0;
+ }
+ catch(exception& e) {
+ m->errorOut(e, "PairwiseSeqsCommand", "execute");
+ exit(1);
+ }
+}
+
+/**************************************************************************************************/
+void PairwiseSeqsCommand::createProcesses(string filename) {
+ try {
+#if defined (__APPLE__) || (__MACH__) || (linux) || (__linux)
+ int process = 0;
+ processIDS.clear();
+
+ //loop through and create all the processes you want
+ while (process != processors) {
+ int pid = fork();
+
+ if (pid > 0) {
+ processIDS[lines[process]->end] = 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("unable to spawn the necessary processes."); m->mothurOutEndLine(); exit(0); }
+ }
+
+ //force parent to wait until all the processes are done
+ for (map<int, int>::iterator it = processIDS.begin(); it != processIDS.end(); it++) {
+ int temp = it->second;
+ wait(&temp);
+ }
+#endif
+ }
+ catch(exception& e) {
+ m->errorOut(e, "PairwiseSeqsCommand", "createProcesses");
+ exit(1);
+ }
+}
+
+/**************************************************************************************************/
+/////// need to fix to work with calcs and sequencedb
+int PairwiseSeqsCommand::driver(int startLine, int endLine, string dFileName, float cutoff){
+ try {
+
+ 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) { outFile.close(); return 0; }
+
+ if (alignDB.get(i).getUnaligned().length() > alignment->getnRows()) {
+ alignment->resize(alignDB.get(i).getUnaligned().length()+1);
+ }
+
+ if (alignDB.get(j).getUnaligned().length() > alignment->getnRows()) {
+ alignment->resize(alignDB.get(j).getUnaligned().length()+1);
+ }
+
+ Sequence* seqI = new Sequence(alignDB.get(i).getName(), alignDB.get(i).getAligned());
+ Sequence* seqJ = new Sequence(alignDB.get(j).getName(), alignDB.get(j).getAligned());
+
+ Nast(alignment, seqI, seqJ);
+
+ distCalculator->calcDist(*seqI, *seqJ);
+ double dist = distCalculator->getDist();
+
+ delete seqI; delete seqJ;
+
+ 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->mothurOut(toString(i) + "\t" + toString(time(NULL) - startTime)); m->mothurOutEndLine();
+ }
+
+ }
+ m->mothurOut(toString(endLine-1) + "\t" + toString(time(NULL) - startTime)); m->mothurOutEndLine();
+
+ outFile.close();
+
+ return 1;
+ }
+ catch(exception& e) {
+ m->errorOut(e, "PairwiseSeqsCommand", "driver");
+ exit(1);
+ }
+}
+/**************************************************************************************************/
+/////// need to fix to work with calcs and sequencedb
+int PairwiseSeqsCommand::driver(int startLine, int endLine, string dFileName, string square){
+ try {
+
+ 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) { outFile.close(); return 0; }
+
+ if (alignDB.get(i).getUnaligned().length() > alignment->getnRows()) {
+ alignment->resize(alignDB.get(i).getUnaligned().length()+1);
+ }
+
+ if (alignDB.get(j).getUnaligned().length() > alignment->getnRows()) {
+ alignment->resize(alignDB.get(j).getUnaligned().length()+1);
+ }
+
+ Sequence* seqI = new Sequence(alignDB.get(i).getName(), alignDB.get(i).getAligned());
+ Sequence* seqJ = new Sequence(alignDB.get(j).getName(), alignDB.get(j).getAligned());
+
+ Nast(alignment, seqI, seqJ);
+
+ distCalculator->calcDist(*seqI, *seqJ);
+ double dist = distCalculator->getDist();
+
+ delete seqI; delete seqJ;
+
+ outFile << dist << '\t';
+ }
+
+ outFile << endl;
+
+ if(i % 100 == 0){
+ m->mothurOut(toString(i) + "\t" + toString(time(NULL) - startTime)); m->mothurOutEndLine();
+ }
+
+ }
+ m->mothurOut(toString(endLine-1) + "\t" + toString(time(NULL) - startTime)); m->mothurOutEndLine();
+
+ outFile.close();
+
+ return 1;
+ }
+ catch(exception& e) {
+ m->errorOut(e, "PairwiseSeqsCommand", "driver");
+ exit(1);
+ }
+}
+#ifdef USE_MPI
+/**************************************************************************************************/
+/////// need to fix to work with calcs and sequencedb
+int PairwiseSeqsCommand::driverMPI(int startLine, int endLine, MPI_File& outMPI, float cutoff){
+ try {
+ 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) { return 0; }
+
+ if (alignDB.get(i).getUnaligned().length() > alignment->getnRows()) {
+ alignment->resize(alignDB.get(i).getUnaligned().length()+1);
+ }
+
+ if (alignDB.get(j).getUnaligned().length() > alignment->getnRows()) {
+ alignment->resize(alignDB.get(j).getUnaligned().length()+1);
+ }
+
+ Sequence* seqI = new Sequence(alignDB.get(i).getName(), alignDB.get(i).getAligned());
+ Sequence* seqJ = new Sequence(alignDB.get(j).getName(), alignDB.get(j).getAligned());
+
+ Nast(alignment, seqI, seqJ);
+
+ distCalculator->calcDist(*seqI, *seqJ);
+ double dist = distCalculator->getDist();
+
+ delete seqI; delete seqJ;
+
+ if(dist <= cutoff){
+ outputString += (alignDB.get(i).getName() + ' ' + alignDB.get(j).getName() + ' ' + toString(dist) + '\n');
+ }
+ }
+
+ if(i % 100 == 0){
+ //m->mothurOut(toString(i) + "\t" + toString(time(NULL) - startTime)); m->mothurOutEndLine();
+ cout << i << '\t' << (time(NULL) - startTime) << endl;
+ }
+
+
+ //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;
+
+ }
+
+ return 1;
+ }
+ catch(exception& e) {
+ m->errorOut(e, "PairwiseSeqsCommand", "driverMPI");
+ exit(1);
+ }
+}
+/**************************************************************************************************/
+/////// need to fix to work with calcs and sequencedb
+int PairwiseSeqsCommand::driverMPI(int startLine, int endLine, string file, unsigned long int& size){
+ try {
+ MPI_Status status;
+
+ MPI_File outMPI;
+ int amode=MPI_MODE_CREATE|MPI_MODE_WRONLY;
+
+ char filename[1024];
+ strcpy(filename, file.c_str());
+
+ MPI_File_open(MPI_COMM_SELF, filename, amode, MPI_INFO_NULL, &outMPI);
+
+ 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) { return 0; }
+
+ if (alignDB.get(i).getUnaligned().length() > alignment->getnRows()) {
+ alignment->resize(alignDB.get(i).getUnaligned().length()+1);
+ }
+
+ if (alignDB.get(j).getUnaligned().length() > alignment->getnRows()) {
+ alignment->resize(alignDB.get(j).getUnaligned().length()+1);
+ }
+
+ Sequence* seqI = new Sequence(alignDB.get(i).getName(), alignDB.get(i).getAligned());
+ Sequence* seqJ = new Sequence(alignDB.get(j).getName(), alignDB.get(j).getAligned());
+
+ Nast(alignment, seqI, seqJ);
+
+ distCalculator->calcDist(*seqI, *seqJ);
+ double dist = distCalculator->getDist();
+
+ delete seqI; delete seqJ;
+
+ outputString += toString(dist) + "\t";
+ }
+
+ outputString += "\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;
+ }
+
+ MPI_File_close(&outMPI);
+
+ return 1;
+ }
+ catch(exception& e) {
+ m->errorOut(e, "PairwiseSeqsCommand", "driverMPI");
+ exit(1);
+ }
+}
+/**************************************************************************************************/
+/////// need to fix to work with calcs and sequencedb
+int PairwiseSeqsCommand::driverMPI(int startLine, int endLine, string file, unsigned long int& size, string square){
+ try {
+ MPI_Status status;
+
+ MPI_File outMPI;
+ int amode=MPI_MODE_CREATE|MPI_MODE_WRONLY;
+
+ char filename[1024];
+ strcpy(filename, file.c_str());
+
+ MPI_File_open(MPI_COMM_SELF, filename, amode, MPI_INFO_NULL, &outMPI);
+
+ 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) { return 0; }
+
+ if (alignDB.get(i).getUnaligned().length() > alignment->getnRows()) {
+ alignment->resize(alignDB.get(i).getUnaligned().length()+1);
+ }
+
+ if (alignDB.get(j).getUnaligned().length() > alignment->getnRows()) {
+ alignment->resize(alignDB.get(j).getUnaligned().length()+1);
+ }
+
+ Sequence* seqI = new Sequence(alignDB.get(i).getName(), alignDB.get(i).getAligned());
+ Sequence* seqJ = new Sequence(alignDB.get(j).getName(), alignDB.get(j).getAligned());
+
+ Nast(alignment, seqI, seqJ);
+
+ distCalculator->calcDist(*seqI, *seqJ);
+ double dist = distCalculator->getDist();
+
+ delete seqI; delete seqJ;
+
+ outputString += toString(dist) + "\t";
+ }
+
+ outputString += "\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;
+ }
+
+ MPI_File_close(&outMPI);
+
+ return 1;
+ }
+ catch(exception& e) {
+ m->errorOut(e, "PairwiseSeqsCommand", "driverMPI");
+ exit(1);
+ }
+}
+#endif
+/**************************************************************************************************/
+
projects / mothur.git / commitdiff