X-Git-Url: https://git.donarmstrong.com/?a=blobdiff_plain;ds=sidebyside;f=pairwiseseqscommand.cpp;fp=pairwiseseqscommand.cpp;h=a4ccbf8f33b34b5dd8eccebf91242249cc465f28;hb=0caf3fbabaa3ece404f8ce77f4c883dc5b1bf1dc;hp=0000000000000000000000000000000000000000;hpb=1b73ff67c83892a025e597dabd9df6fe7b58206a;p=mothur.git diff --git a/pairwiseseqscommand.cpp b/pairwiseseqscommand.cpp new file mode 100644 index 0000000..a4ccbf8 --- /dev/null +++ b/pairwiseseqscommand.cpp @@ -0,0 +1,1076 @@ +/* + * pairwiseseqscommand.cpp + * Mothur + * + * Created by westcott on 10/20/10. + * Copyright 2010 Schloss Lab. All rights reserved. + * + */ + +#include "pairwiseseqscommand.h" + +//********************************************************************************************************************** +vector PairwiseSeqsCommand::setParameters(){ + try { + CommandParameter pfasta("fasta", "InputTypes", "", "", "none", "none", "none",false,true); parameters.push_back(pfasta); + CommandParameter palign("align", "Multiple", "needleman-gotoh-blast-noalign", "needleman", "", "", "",false,false); parameters.push_back(palign); + CommandParameter pmatch("match", "Number", "", "1.0", "", "", "",false,false); parameters.push_back(pmatch); + CommandParameter pmismatch("mismatch", "Number", "", "-1.0", "", "", "",false,false); parameters.push_back(pmismatch); + CommandParameter pgapopen("gapopen", "Number", "", "-2.0", "", "", "",false,false); parameters.push_back(pgapopen); + CommandParameter pgapextend("gapextend", "Number", "", "-1.0", "", "", "",false,false); parameters.push_back(pgapextend); + CommandParameter pprocessors("processors", "Number", "", "1", "", "", "",false,false); parameters.push_back(pprocessors); + CommandParameter poutput("output", "Multiple", "column-lt-square", "column", "", "", "",false,false); 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 pcutoff("cutoff", "Number", "", "1.0", "", "", "",false,false); 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 myArray; + for (int i = 0; i < parameters.size(); i++) { myArray.push_back(parameters[i].name); } + return myArray; + } + catch(exception& e) { + m->errorOut(e, "PairwiseSeqsCommand", "setParameters"); + exit(1); + } +} +//********************************************************************************************************************** +string PairwiseSeqsCommand::getHelpString(){ + try { + string helpString = ""; + helpString += "The pairwise.seqs command reads a fasta file and creates distance matrix.\n"; + helpString += "The pairwise.seqs command parameters are fasta, align, match, mismatch, gapopen, gapextend, calc, output, cutoff and processors.\n"; + helpString += "The fasta parameter is required. You may enter multiple fasta files by separating their names with dashes. ie. fasta=abrecovery.fasta-amzon.fasta \n"; + helpString += "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"; + helpString += "The match parameter allows you to specify the bonus for having the same base. The default is 1.0.\n"; + helpString += "The mistmatch parameter allows you to specify the penalty for having different bases. The default is -1.0.\n"; + helpString += "The gapopen parameter allows you to specify the penalty for opening a gap in an alignment. The default is -2.0.\n"; + helpString += "The gapextend parameter allows you to specify the penalty for extending a gap in an alignment. The default is -1.0.\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 compress parameter allows you to indicate that you want the resulting distance file compressed. The default is false.\n"; + helpString += "The pairwise.seqs command should be in the following format: \n"; + helpString += "pairwise.seqs(fasta=yourfastaFile, align=yourAlignmentMethod) \n"; + helpString += "Example pairwise.seqs(fasta=candidate.fasta, align=blast)\n"; + helpString += "Note: No spaces between parameter labels (i.e. fasta), '=' and parameters (i.e.yourFastaFile).\n"; + return helpString; + } + catch(exception& e) { + m->errorOut(e, "PairwiseSeqsCommand", "getHelpString"); + exit(1); + } +} + +//********************************************************************************************************************** +PairwiseSeqsCommand::PairwiseSeqsCommand(){ + try { + abort = true; calledHelp = true; + setParameters(); + vector tempOutNames; + outputTypes["phylip"] = tempOutNames; + outputTypes["column"] = tempOutNames; + } + catch(exception& e) { + m->errorOut(e, "PairwiseSeqsCommand", "PairwiseSeqsCommand"); + exit(1); + } +} +//********************************************************************************************************************** +PairwiseSeqsCommand::PairwiseSeqsCommand(string option) { + try { + abort = false; calledHelp = false; + + //allow user to run help + if(option == "help") { help(); abort = true; calledHelp = true; } + else if(option == "citation") { citation(); abort = true; calledHelp = true;} + + else { + vector myArray = setParameters(); + + OptionParser parser(option); + map parameters = parser.getParameters(); + + ValidParameters validParameter("pairwise.seqs"); + map::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 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") { + //if there is a current fasta file, use it + string filename = m->getFastaFile(); + if (filename != "") { fastaFileNames.push_back(filename); m->mothurOut("Using " + filename + " as input file for the fasta parameter."); m->mothurOutEndLine(); } + else { m->mothurOut("You have no current fastafile and the fasta parameter is required."); 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++) { + + bool ignore = false; + if (fastaFileNames[i] == "current") { + fastaFileNames[i] = m->getFastaFile(); + if (fastaFileNames[i] != "") { m->mothurOut("Using " + fastaFileNames[i] + " as input file for the fasta parameter where you had given current."); m->mothurOutEndLine(); } + else { + m->mothurOut("You have no current fastafile, ignoring current."); m->mothurOutEndLine(); ignore=true; + //erase from file list + fastaFileNames.erase(fastaFileNames.begin()+i); + i--; + } + } + + if (!ignore) { + + 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(); + ifstream in2; + ableToOpen = m->openInputFile(tryPath, in2, "noerror"); + in2.close(); + 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(); + ifstream in2; + ableToOpen = m->openInputFile(tryPath, in2, "noerror"); + in2.close(); + 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--; + }else { + m->setFastaFile(fastaFileNames[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"; } + m->mothurConvert(temp, match); + + temp = validParameter.validFile(parameters, "mismatch", false); if (temp == "not found"){ temp = "-1.0"; } + m->mothurConvert(temp, misMatch); + if (misMatch > 0) { m->mothurOut("[ERROR]: mismatch must be negative.\n"); abort=true; } + + temp = validParameter.validFile(parameters, "gapopen", false); if (temp == "not found"){ temp = "-2.0"; } + m->mothurConvert(temp, gapOpen); + if (gapOpen > 0) { m->mothurOut("[ERROR]: gapopen must be negative.\n"); abort=true; } + + temp = validParameter.validFile(parameters, "gapextend", false); if (temp == "not found"){ temp = "-1.0"; } + m->mothurConvert(temp, gapExtend); + if (gapExtend > 0) { m->mothurOut("[ERROR]: gapextend must be negative.\n"); abort=true; } + + temp = validParameter.validFile(parameters, "processors", false); if (temp == "not found"){ temp = m->getProcessors(); } + m->setProcessors(temp); + m->mothurConvert(temp, processors); + + temp = validParameter.validFile(parameters, "cutoff", false); if(temp == "not found"){ temp = "1.0"; } + m->mothurConvert(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); + } + + } + catch(exception& e) { + m->errorOut(e, "PairwiseSeqsCommand", "PairwiseSeqsCommand"); + exit(1); + } +} +//********************************************************************************************************************** + +int PairwiseSeqsCommand::execute(){ + try { + if (abort == true) { if (calledHelp) { return 0; } return 2; } + + 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. + + 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"; + m->mothurRemove(outputFile); 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); + m->mothurRemove(outputFile); + }else { //assume square + outputFile = outputDir + m->getRootName(m->getSimpleName(fastaFileNames[s])) + "square.dist"; + 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[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); m->mothurRemove(outputFile); return 0; } + + //wait on chidren + for(int i = 1; i < processors; i++) { + if (m->control_pressed) { outputTypes.clear(); MPI_File_close(&outMPI); m->mothurRemove(outputFile); 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); m->mothurRemove(outputFile); 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(); m->mothurRemove(outputFile); 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 long fileSize; + + if (m->control_pressed) { outputTypes.clear(); MPI_File_close(&outMPI); m->mothurRemove(outputFile); 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 + + 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 + + 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(); 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 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 { + int process = 1; + processIDS.clear(); + +#if defined (__APPLE__) || (__MACH__) || (linux) || (__linux) || (__linux__) || (__unix__) || (__unix) + + + //loop through and create all the processes you want + while (process != processors) { + int pid = fork(); + + if (pid > 0) { + processIDS.push_back(pid); + 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."); m->mothurOutEndLine(); + for (int i=0;i pDataArray; //[processors-1]; + DWORD dwThreadIdArray[processors-1]; + HANDLE hThreadArray[processors-1]; + + //Create processor-1 worker threads. + for( int i=0; iappendFiles((filename + toString(processIDS[i]) + ".temp"), filename); + m->mothurRemove((filename + toString(processIDS[i]) + ".temp")); + } + + } + 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); + + Alignment* alignment; + 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); + } + + ValidCalculators validCalculator; + Dist* distCalculator; + if (countends) { + if (validCalculator.isValidCalculator("distance", Estimators[0]) == true) { + if (Estimators[0] == "nogaps") { distCalculator = new ignoreGaps(); } + else if (Estimators[0] == "eachgap") { distCalculator = new eachGapDist(); } + else if (Estimators[0] == "onegap") { distCalculator = new oneGapDist(); } + } + }else { + if (validCalculator.isValidCalculator("distance", Estimators[0]) == true) { + if (Estimators[0] == "nogaps") { distCalculator = new ignoreGaps(); } + else if (Estimators[0] == "eachgap"){ distCalculator = new eachGapIgnoreTermGapDist(); } + else if (Estimators[0] == "onegap") { distCalculator = new oneGapIgnoreTermGapDist(); } + } + } + + //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;icontrol_pressed) { outFile.close(); delete alignment; delete distCalculator; 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(alignDB.get(i).getName(), alignDB.get(i).getAligned()); + Sequence seqJ(alignDB.get(j).getName(), alignDB.get(j).getAligned()); + + alignment->align(seqI.getUnaligned(), seqJ.getUnaligned()); + seqI.setAligned(alignment->getSeqAAln()); + seqJ.setAligned(alignment->getSeqBAln()); + + + distCalculator->calcDist(seqI, seqJ); + 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->mothurOut(toString(i) + "\t" + toString(time(NULL) - startTime)); m->mothurOutEndLine(); + } + + } + m->mothurOut(toString(endLine-1) + "\t" + toString(time(NULL) - startTime)); m->mothurOutEndLine(); + + outFile.close(); + delete alignment; + delete distCalculator; + + 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); + + Alignment* alignment; + 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); + } + + ValidCalculators validCalculator; + Dist* distCalculator; + if (countends) { + if (validCalculator.isValidCalculator("distance", Estimators[0]) == true) { + if (Estimators[0] == "nogaps") { distCalculator = new ignoreGaps(); } + else if (Estimators[0] == "eachgap") { distCalculator = new eachGapDist(); } + else if (Estimators[0] == "onegap") { distCalculator = new oneGapDist(); } + } + }else { + if (validCalculator.isValidCalculator("distance", Estimators[0]) == true) { + if (Estimators[0] == "nogaps") { distCalculator = new ignoreGaps(); } + else if (Estimators[0] == "eachgap"){ distCalculator = new eachGapIgnoreTermGapDist(); } + else if (Estimators[0] == "onegap") { distCalculator = new oneGapIgnoreTermGapDist(); } + } + } + + //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;icontrol_pressed) { outFile.close(); delete alignment; delete distCalculator; 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(alignDB.get(i).getName(), alignDB.get(i).getAligned()); + Sequence seqJ(alignDB.get(j).getName(), alignDB.get(j).getAligned()); + + alignment->align(seqI.getUnaligned(), seqJ.getUnaligned()); + seqI.setAligned(alignment->getSeqAAln()); + seqJ.setAligned(alignment->getSeqBAln()); + + distCalculator->calcDist(seqI, seqJ); + double dist = distCalculator->getDist(); + + 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(); + delete alignment; + delete distCalculator; + + 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); + + Alignment* alignment; + 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); + } + + ValidCalculators validCalculator; + Dist* distCalculator; + if (countends) { + if (validCalculator.isValidCalculator("distance", Estimators[0]) == true) { + if (Estimators[0] == "nogaps") { distCalculator = new ignoreGaps(); } + else if (Estimators[0] == "eachgap") { distCalculator = new eachGapDist(); } + else if (Estimators[0] == "onegap") { distCalculator = new oneGapDist(); } + } + }else { + if (validCalculator.isValidCalculator("distance", Estimators[0]) == true) { + if (Estimators[0] == "nogaps") { distCalculator = new ignoreGaps(); } + else if (Estimators[0] == "eachgap"){ distCalculator = new eachGapIgnoreTermGapDist(); } + else if (Estimators[0] == "onegap") { distCalculator = new oneGapIgnoreTermGapDist(); } + } + } + + string outputString = ""; + + for(int i=startLine;icontrol_pressed) { delete alignment; delete distCalculator; 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(alignDB.get(i).getName(), alignDB.get(i).getAligned()); + Sequence seqJ(alignDB.get(j).getName(), alignDB.get(j).getAligned()); + + alignment->align(seqI.getUnaligned(), seqJ.getUnaligned()); + seqI.setAligned(alignment->getSeqAAln()); + seqJ.setAligned(alignment->getSeqBAln()); + + distCalculator->calcDist(seqI, seqJ); + double dist = distCalculator->getDist(); + + 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; + + } + delete alignment; + delete distCalculator; + 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 long& 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); + + Alignment* alignment; + 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); + } + + ValidCalculators validCalculator; + Dist* distCalculator; + if (countends) { + if (validCalculator.isValidCalculator("distance", Estimators[0]) == true) { + if (Estimators[0] == "nogaps") { distCalculator = new ignoreGaps(); } + else if (Estimators[0] == "eachgap") { distCalculator = new eachGapDist(); } + else if (Estimators[0] == "onegap") { distCalculator = new oneGapDist(); } + } + }else { + if (validCalculator.isValidCalculator("distance", Estimators[0]) == true) { + if (Estimators[0] == "nogaps") { distCalculator = new ignoreGaps(); } + else if (Estimators[0] == "eachgap"){ distCalculator = new eachGapIgnoreTermGapDist(); } + else if (Estimators[0] == "onegap") { distCalculator = new oneGapIgnoreTermGapDist(); } + } + } + + + string outputString = ""; + size = 0; + + if(startLine == 0){ outputString += toString(alignDB.getNumSeqs()) + "\n"; } + + for(int i=startLine;icontrol_pressed) { delete alignment; delete distCalculator; 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(alignDB.get(i).getName(), alignDB.get(i).getAligned()); + Sequence seqJ(alignDB.get(j).getName(), alignDB.get(j).getAligned()); + + alignment->align(seqI.getUnaligned(), seqJ.getUnaligned()); + seqI.setAligned(alignment->getSeqAAln()); + seqJ.setAligned(alignment->getSeqBAln()); + + distCalculator->calcDist(seqI, seqJ); + double dist = distCalculator->getDist(); + + 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); + delete alignment; + delete distCalculator; + + 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 long& 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); + + Alignment* alignment; + 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); + } + + ValidCalculators validCalculator; + Dist* distCalculator; + if (countends) { + if (validCalculator.isValidCalculator("distance", Estimators[0]) == true) { + if (Estimators[0] == "nogaps") { distCalculator = new ignoreGaps(); } + else if (Estimators[0] == "eachgap") { distCalculator = new eachGapDist(); } + else if (Estimators[0] == "onegap") { distCalculator = new oneGapDist(); } + } + }else { + if (validCalculator.isValidCalculator("distance", Estimators[0]) == true) { + if (Estimators[0] == "nogaps") { distCalculator = new ignoreGaps(); } + else if (Estimators[0] == "eachgap"){ distCalculator = new eachGapIgnoreTermGapDist(); } + else if (Estimators[0] == "onegap") { distCalculator = new oneGapIgnoreTermGapDist(); } + } + } + + string outputString = ""; + size = 0; + + if(startLine == 0){ outputString += toString(alignDB.getNumSeqs()) + "\n"; } + + for(int i=startLine;icontrol_pressed) { delete alignment; 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(alignDB.get(i).getName(), alignDB.get(i).getAligned()); + Sequence seqJ(alignDB.get(j).getName(), alignDB.get(j).getAligned()); + + alignment->align(seqI.getUnaligned(), seqJ.getUnaligned()); + seqI.setAligned(alignment->getSeqAAln()); + seqJ.setAligned(alignment->getSeqBAln()); + + distCalculator->calcDist(seqI, seqJ); + double dist = distCalculator->getDist(); + + 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); + + delete alignment; + return 1; + } + catch(exception& e) { + m->errorOut(e, "PairwiseSeqsCommand", "driverMPI"); + exit(1); + } +} +#endif +/**************************************************************************************************/ +