* allows for a global alignment and not the local alignment provided by bLAst. Furthermore, it has the potential to
* provide a better alignment because of the banding method employed by blast (I'm not sure about this).
*
- * to compile type:
- * make
- *
- * for basic instructions on how to run nastPlus type:
- * ./nastPlus
*/
#include "aligncommand.h"
#include "sequence.hpp"
-#include "alignment.hpp"
#include "gotohoverlap.hpp"
#include "needlemanoverlap.hpp"
#include "blastalign.hpp"
#include "noalign.hpp"
-#include "database.hpp"
-#include "kmerdb.hpp"
-#include "suffixdb.hpp"
-#include "blastdb.hpp"
-
#include "nast.hpp"
#include "nastreport.hpp"
//**********************************************************************************************************************
-AlignCommand::AlignCommand(){
+vector<string> AlignCommand::getValidParameters(){
+ try {
+ string AlignArray[] = {"template","candidate","search","ksize","align","match","mismatch","gapopen","gapextend", "processors","flip","threshold","outputdir","inputdir"};
+ vector<string> myArray (AlignArray, AlignArray+(sizeof(AlignArray)/sizeof(string)));
+ return myArray;
+ }
+ catch(exception& e) {
+ m->errorOut(e, "AlignCommand", "getValidParameters");
+ exit(1);
+ }
+}
+//**********************************************************************************************************************
+vector<string> AlignCommand::getRequiredParameters(){
+ try {
+ string AlignArray[] = {"template","candidate"};
+ vector<string> myArray (AlignArray, AlignArray+(sizeof(AlignArray)/sizeof(string)));
+ return myArray;
+ }
+ catch(exception& e) {
+ m->errorOut(e, "AlignCommand", "getRequiredParameters");
+ exit(1);
+ }
+}
+//**********************************************************************************************************************
+vector<string> AlignCommand::getRequiredFiles(){
+ try {
+ vector<string> myArray;
+ return myArray;
+ }
+ catch(exception& e) {
+ m->errorOut(e, "AlignCommand", "getRequiredFiles");
+ exit(1);
+ }
+}
+//**********************************************************************************************************************
+AlignCommand::AlignCommand(){
+ try {
+ abort = true;
+ //initialize outputTypes
+ vector<string> tempOutNames;
+ outputTypes["fasta"] = tempOutNames;
+ outputTypes["alignreport"] = tempOutNames;
+ outputTypes["accnos"] = tempOutNames;
+ }
+ catch(exception& e) {
+ m->errorOut(e, "AlignCommand", "AlignCommand");
+ exit(1);
+ }
+}
+//**********************************************************************************************************************
+AlignCommand::AlignCommand(string option) {
try {
- globaldata = GlobalData::getInstance();
- if(globaldata->getFastaFile() == ""){
- cout << "you forgot a template file" << endl;
+ abort = false;
+
+ //allow user to run help
+ if(option == "help") { help(); abort = true; }
+
+ else {
+
+ //valid paramters for this command
+ string AlignArray[] = {"template","candidate","search","ksize","align","match","mismatch","gapopen","gapextend", "processors","flip","threshold","outputdir","inputdir"};
+ vector<string> myArray (AlignArray, AlignArray+(sizeof(AlignArray)/sizeof(string)));
+
+ OptionParser parser(option);
+ map<string, string> parameters = parser.getParameters();
+
+ ValidParameters validParameter("align.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["fasta"] = tempOutNames;
+ outputTypes["alignreport"] = tempOutNames;
+ outputTypes["accnos"] = 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 = ""; }
+ else {
+ string path;
+
+ it = parameters.find("template");
+
+ //user has given a template file
+ if(it != parameters.end()){
+ path = m->hasPath(it->second);
+ //if the user has not given a path then, add inputdir. else leave path alone.
+ if (path == "") { parameters["template"] = inputDir + it->second; }
+ }
+ }
+
+ //check for required parameters
+ templateFileName = validParameter.validFile(parameters, "template", true);
+
+ if (templateFileName == "not found") {
+ m->mothurOut("template is a required parameter for the align.seqs command.");
+ m->mothurOutEndLine();
+ abort = true;
+ }else if (templateFileName == "not open") { abort = true; }
+
+ candidateFileName = validParameter.validFile(parameters, "candidate", false);
+ if (candidateFileName == "not found") { m->mothurOut("candidate is a required parameter for the align.seqs command."); m->mothurOutEndLine(); abort = true; }
+ else {
+ m->splitAtDash(candidateFileName, candidateFileNames);
+
+ //go through files and make sure they are good, if not, then disregard them
+ for (int i = 0; i < candidateFileNames.size(); i++) {
+ //candidateFileNames[i] = m->getFullPathName(candidateFileNames[i]);
+
+ if (inputDir != "") {
+ string path = m->hasPath(candidateFileNames[i]);
+ //if the user has not given a path then, add inputdir. else leave path alone.
+ if (path == "") { candidateFileNames[i] = inputDir + candidateFileNames[i]; }
+ }
+
+ int ableToOpen;
+ ifstream in;
+ ableToOpen = m->openInputFile(candidateFileNames[i], in, "noerror");
+ in.close();
+
+ //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(candidateFileNames[i]);
+ m->mothurOut("Unable to open " + candidateFileNames[i] + ". Trying default " + tryPath); m->mothurOutEndLine();
+ ifstream in2;
+ ableToOpen = m->openInputFile(tryPath, in2, "noerror");
+ in2.close();
+ candidateFileNames[i] = tryPath;
+ }
+ }
+
+ //if you can't open it, try default location
+ if (ableToOpen == 1) {
+ if (m->getOutputDir() != "") { //default path is set
+ string tryPath = m->getOutputDir() + m->getSimpleName(candidateFileNames[i]);
+ m->mothurOut("Unable to open " + candidateFileNames[i] + ". Trying output directory " + tryPath); m->mothurOutEndLine();
+ ifstream in2;
+ ableToOpen = m->openInputFile(tryPath, in2, "noerror");
+ in2.close();
+ candidateFileNames[i] = tryPath;
+ }
+ }
+
+
+
+ if (ableToOpen == 1) {
+ m->mothurOut("Unable to open " + candidateFileNames[i] + ". It will be disregarded."); m->mothurOutEndLine();
+ //erase from file list
+ candidateFileNames.erase(candidateFileNames.begin()+i);
+ i--;
+ }
+
+ }
+
+ //make sure there is at least one valid file left
+ if (candidateFileNames.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, "ksize", false); if (temp == "not found"){ temp = "8"; }
+ convert(temp, kmerSize);
+
+ 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, "flip", false); if (temp == "not found"){ temp = "f"; }
+ flip = m->isTrue(temp);
+
+ temp = validParameter.validFile(parameters, "threshold", false); if (temp == "not found"){ temp = "0.50"; }
+ convert(temp, threshold);
+
+ search = validParameter.validFile(parameters, "search", false); if (search == "not found"){ search = "kmer"; }
+
+ align = validParameter.validFile(parameters, "align", false); if (align == "not found"){ align = "needleman"; }
}
- openInputFile(globaldata->getCandidateFile(), in);
- convert(globaldata->getKSize(), kmerSize);
- convert(globaldata->getMatch(), match);
- convert(globaldata->getMismatch(), misMatch);
- convert(globaldata->getGapopen(), gapOpen);
- convert(globaldata->getGapextend(), gapExtend);
}
catch(exception& e) {
- cout << "Standard Error: " << e.what() << " has occurred in the AlignCommand class Function AlignCommand. Please contact Pat Schloss at pschloss@microbio.umass.edu." << "\n";
+ m->errorOut(e, "AlignCommand", "AlignCommand");
exit(1);
}
- catch(...) {
- cout << "An unknown error has occurred in the AlignCommand class function AlignCommand. Please contact Pat Schloss at pschloss@microbio.umass.edu." << "\n";
- exit(1);
- }
+}
+//**********************************************************************************************************************
+
+AlignCommand::~AlignCommand(){
+
+ if (abort == false) {
+ for (int i = 0; i < lines.size(); i++) { delete lines[i]; } lines.clear();
+ delete templateDB;
+ delete alignment;
+ }
}
//**********************************************************************************************************************
-AlignCommand::~AlignCommand(){
-
+void AlignCommand::help(){
+ try {
+ m->mothurOut("The align.seqs command reads a file containing sequences and creates an alignment file and a report file.\n");
+ m->mothurOut("The align.seqs command parameters are template, candidate, search, ksize, align, match, mismatch, gapopen, gapextend and processors.\n");
+ m->mothurOut("The template and candidate parameters are required. You may enter multiple fasta files by separating their names with dashes. ie. fasta=abrecovery.fasta-amzon.fasta \n");
+ m->mothurOut("The search parameter allows you to specify the method to find most similar template. Your options are: suffix, kmer and blast. The default is kmer.\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 ksize parameter allows you to specify the kmer size for finding most similar template to candidate. The default is 8.\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 flip parameter is used to specify whether or not you want mothur to try the reverse complement if a sequence falls below the threshold. The default is false.\n");
+ m->mothurOut("The threshold is used to specify a cutoff at which an alignment is deemed 'bad' and the reverse complement may be tried. The default threshold is 0.50, meaning 50% of the bases are removed in the alignment.\n");
+ m->mothurOut("If the flip parameter is set to true the reverse complement of the sequence is aligned and the better alignment is reported.\n");
+ m->mothurOut("The default for the threshold parameter is 0.50, meaning at least 50% of the bases must remain or the sequence is reported as potentially reversed.\n");
+ m->mothurOut("The align.seqs command should be in the following format: \n");
+ m->mothurOut("align.seqs(template=yourTemplateFile, candidate=yourCandidateFile, align=yourAlignmentMethod, search=yourSearchmethod, ksize=yourKmerSize, match=yourMatchBonus, mismatch=yourMismatchpenalty, gapopen=yourGapopenPenalty, gapextend=yourGapExtendPenalty) \n");
+ m->mothurOut("Example align.seqs(candidate=candidate.fasta, template=core.filtered, align=kmer, search=gotoh, ksize=8, match=2.0, mismatch=3.0, gapopen=-2.0, gapextend=-1.0)\n");
+ m->mothurOut("Note: No spaces between parameter labels (i.e. candidate), '=' and parameters (i.e.yourFastaFile).\n\n");
+ }
+ catch(exception& e) {
+ m->errorOut(e, "AlignCommand", "help");
+ exit(1);
+ }
}
+
//**********************************************************************************************************************
int AlignCommand::execute(){
try {
- srand( (unsigned)time( NULL ) ); //needed to assign names to temporary files
+ if (abort == true) { return 0; }
+
+ templateDB = new AlignmentDB(templateFileName, search, kmerSize, gapOpen, gapExtend, match, misMatch);
+ int longestBase = templateDB->getLongestBase();
- Database* templateDB;
- if(globaldata->getSearch() == "kmer") { templateDB = new KmerDB(globaldata->getFastaFile() , kmerSize); }
- else if(globaldata->getSearch() == "suffix") { templateDB = new SuffixDB(globaldata->getFastaFile()); }
- else if(globaldata->getSearch() == "blast") { templateDB = new BlastDB(globaldata->getFastaFile(), gapOpen, gapExtend, match, misMatch); }
+ 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 {
- cout << globaldata->getSearch() << " is not a valid search option. I will run the command using kmer, ksize=8." << endl;
- templateDB = new KmerDB(globaldata->getFastaFile(), kmerSize);
+ 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);
}
-
- Alignment* alignment;
- if(globaldata->getAlign() == "gotoh") { alignment = new GotohOverlap(gapOpen, gapExtend, match, misMatch, 3000); }
- else if(globaldata->getAlign() == "needleman") { alignment = new NeedlemanOverlap(gapOpen, match, misMatch, 3000); }
- else if(globaldata->getAlign() == "blast") { alignment = new BlastAlignment(gapOpen, gapExtend, match, misMatch); }
- else if(globaldata->getAlign() == "noalign") { alignment = new NoAlign(); }
- else {
- cout << globaldata->getAlign() << " is not a valid alignment option. I will run the command using needleman." << endl;
- alignment = new NeedlemanOverlap(gapOpen, match, misMatch, 3000);
+
+ for (int s = 0; s < candidateFileNames.size(); s++) {
+ if (m->control_pressed) { outputTypes.clear(); return 0; }
+
+ m->mothurOut("Aligning sequences from " + candidateFileNames[s] + " ..." ); m->mothurOutEndLine();
+
+ if (outputDir == "") { outputDir += m->hasPath(candidateFileNames[s]); }
+ string alignFileName = outputDir + m->getRootName(m->getSimpleName(candidateFileNames[s])) + "align";
+ string reportFileName = outputDir + m->getRootName(m->getSimpleName(candidateFileNames[s])) + "align.report";
+ string accnosFileName = outputDir + m->getRootName(m->getSimpleName(candidateFileNames[s])) + "flip.accnos";
+ bool hasAccnos = true;
+
+ int numFastaSeqs = 0;
+ for (int i = 0; i < lines.size(); i++) { delete lines[i]; } lines.clear();
+ int start = time(NULL);
+
+#ifdef USE_MPI
+ int pid, numSeqsPerProcessor;
+ int tag = 2001;
+ vector<unsigned long int> MPIPos;
+ MPIWroteAccnos = false;
+
+ MPI_Status status;
+ MPI_Comm_rank(MPI_COMM_WORLD, &pid); //find out who we are
+ MPI_Comm_size(MPI_COMM_WORLD, &processors);
+
+ MPI_File inMPI;
+ MPI_File outMPIAlign;
+ MPI_File outMPIReport;
+ MPI_File outMPIAccnos;
+
+ int outMode=MPI_MODE_CREATE|MPI_MODE_WRONLY;
+ int inMode=MPI_MODE_RDONLY;
+
+ char outAlignFilename[1024];
+ strcpy(outAlignFilename, alignFileName.c_str());
+
+ char outReportFilename[1024];
+ strcpy(outReportFilename, reportFileName.c_str());
+
+ char outAccnosFilename[1024];
+ strcpy(outAccnosFilename, accnosFileName.c_str());
+
+ char inFileName[1024];
+ strcpy(inFileName, candidateFileNames[s].c_str());
+
+ MPI_File_open(MPI_COMM_WORLD, inFileName, inMode, MPI_INFO_NULL, &inMPI); //comm, filename, mode, info, filepointer
+ MPI_File_open(MPI_COMM_WORLD, outAlignFilename, outMode, MPI_INFO_NULL, &outMPIAlign);
+ MPI_File_open(MPI_COMM_WORLD, outReportFilename, outMode, MPI_INFO_NULL, &outMPIReport);
+ MPI_File_open(MPI_COMM_WORLD, outAccnosFilename, outMode, MPI_INFO_NULL, &outMPIAccnos);
+
+ if (m->control_pressed) { MPI_File_close(&inMPI); MPI_File_close(&outMPIAlign); MPI_File_close(&outMPIReport); MPI_File_close(&outMPIAccnos); outputTypes.clear(); return 0; }
+
+ if (pid == 0) { //you are the root process
+
+ MPIPos = m->setFilePosFasta(candidateFileNames[s], numFastaSeqs); //fills MPIPos, returns numSeqs
+
+ //send file positions to all processes
+ for(int i = 1; i < processors; i++) {
+ MPI_Send(&numFastaSeqs, 1, MPI_INT, i, tag, MPI_COMM_WORLD);
+ MPI_Send(&MPIPos[0], (numFastaSeqs+1), MPI_LONG, i, tag, MPI_COMM_WORLD);
+ }
+
+ //figure out how many sequences you have to align
+ numSeqsPerProcessor = numFastaSeqs / processors;
+ int startIndex = pid * numSeqsPerProcessor;
+ if(pid == (processors - 1)){ numSeqsPerProcessor = numFastaSeqs - pid * numSeqsPerProcessor; }
+
+ //align your part
+ driverMPI(startIndex, numSeqsPerProcessor, inMPI, outMPIAlign, outMPIReport, outMPIAccnos, MPIPos);
+
+ if (m->control_pressed) { MPI_File_close(&inMPI); MPI_File_close(&outMPIAlign); MPI_File_close(&outMPIReport); MPI_File_close(&outMPIAccnos); outputTypes.clear(); return 0; }
+
+ for (int i = 1; i < processors; i++) {
+ bool tempResult;
+ MPI_Recv(&tempResult, 1, MPI_INT, i, tag, MPI_COMM_WORLD, &status);
+ if (tempResult != 0) { MPIWroteAccnos = true; }
+ }
+ }else{ //you are a child process
+ MPI_Recv(&numFastaSeqs, 1, MPI_INT, 0, tag, MPI_COMM_WORLD, &status);
+ MPIPos.resize(numFastaSeqs+1);
+ MPI_Recv(&MPIPos[0], (numFastaSeqs+1), MPI_LONG, 0, tag, MPI_COMM_WORLD, &status);
+
+
+ //figure out how many sequences you have to align
+ numSeqsPerProcessor = numFastaSeqs / processors;
+ int startIndex = pid * numSeqsPerProcessor;
+ if(pid == (processors - 1)){ numSeqsPerProcessor = numFastaSeqs - pid * numSeqsPerProcessor; }
+
+
+ //align your part
+ driverMPI(startIndex, numSeqsPerProcessor, inMPI, outMPIAlign, outMPIReport, outMPIAccnos, MPIPos);
+
+ if (m->control_pressed) { MPI_File_close(&inMPI); MPI_File_close(&outMPIAlign); MPI_File_close(&outMPIReport); MPI_File_close(&outMPIAccnos); outputTypes.clear(); return 0; }
+
+ MPI_Send(&MPIWroteAccnos, 1, MPI_INT, 0, tag, MPI_COMM_WORLD);
+ }
+
+ //close files
+ MPI_File_close(&inMPI);
+ MPI_File_close(&outMPIAlign);
+ MPI_File_close(&outMPIReport);
+ MPI_File_close(&outMPIAccnos);
+
+ //delete accnos file if blank
+ if (pid == 0) {
+ //delete accnos file if its blank else report to user
+ if (MPIWroteAccnos) {
+ m->mothurOut("Some of you sequences generated alignments that eliminated too many bases, a list is provided in " + accnosFileName + ".");
+ if (!flip) {
+ m->mothurOut(" If you set the flip parameter to true mothur will try aligning the reverse compliment as well.");
+ }else{ m->mothurOut(" If the reverse compliment proved to be better it was reported."); }
+ m->mothurOutEndLine();
+ }else {
+ //MPI_Info info;
+ //MPI_File_delete(outAccnosFilename, info);
+ hasAccnos = false;
+ remove(accnosFileName.c_str());
+ }
+ }
+
+#else
+
+ vector<unsigned long int> positions = m->divideFile(candidateFileNames[s], processors);
+ for (int i = 0; i < (positions.size()-1); i++) {
+ lines.push_back(new linePair(positions[i], positions[(i+1)]));
+ }
+ #if defined (__APPLE__) || (__MACH__) || (linux) || (__linux)
+ if(processors == 1){
+ numFastaSeqs = driver(lines[0], alignFileName, reportFileName, accnosFileName, candidateFileNames[s]);
+
+ if (m->control_pressed) { remove(accnosFileName.c_str()); remove(alignFileName.c_str()); remove(reportFileName.c_str()); outputTypes.clear(); return 0; }
+
+ //delete accnos file if its blank else report to user
+ if (m->isBlank(accnosFileName)) { remove(accnosFileName.c_str()); hasAccnos = false; }
+ else {
+ m->mothurOut("Some of you sequences generated alignments that eliminated too many bases, a list is provided in " + accnosFileName + ".");
+ if (!flip) {
+ m->mothurOut(" If you set the flip parameter to true mothur will try aligning the reverse compliment as well.");
+ }else{ m->mothurOut(" If the reverse compliment proved to be better it was reported."); }
+ m->mothurOutEndLine();
+ }
+ }else{
+ processIDS.resize(0);
+
+ numFastaSeqs = createProcesses(alignFileName, reportFileName, accnosFileName, candidateFileNames[s]);
+
+ rename((alignFileName + toString(processIDS[0]) + ".temp").c_str(), alignFileName.c_str());
+ rename((reportFileName + toString(processIDS[0]) + ".temp").c_str(), reportFileName.c_str());
+
+ //append alignment and report files
+ for(int i=1;i<processors;i++){
+ appendAlignFiles((alignFileName + toString(processIDS[i]) + ".temp"), alignFileName);
+ remove((alignFileName + toString(processIDS[i]) + ".temp").c_str());
+
+ appendReportFiles((reportFileName + toString(processIDS[i]) + ".temp"), reportFileName);
+ remove((reportFileName + toString(processIDS[i]) + ".temp").c_str());
+ }
+
+ vector<string> nonBlankAccnosFiles;
+ //delete blank accnos files generated with multiple processes
+ for(int i=0;i<processors;i++){
+ if (!(m->isBlank(accnosFileName + toString(processIDS[i]) + ".temp"))) {
+ nonBlankAccnosFiles.push_back(accnosFileName + toString(processIDS[i]) + ".temp");
+ }else { remove((accnosFileName + toString(processIDS[i]) + ".temp").c_str()); }
+ }
+
+ //append accnos files
+ if (nonBlankAccnosFiles.size() != 0) {
+ rename(nonBlankAccnosFiles[0].c_str(), accnosFileName.c_str());
+
+ for (int h=1; h < nonBlankAccnosFiles.size(); h++) {
+ appendAlignFiles(nonBlankAccnosFiles[h], accnosFileName);
+ remove(nonBlankAccnosFiles[h].c_str());
+ }
+ m->mothurOut("Some of you sequences generated alignments that eliminated too many bases, a list is provided in " + accnosFileName + ".");
+ if (!flip) {
+ m->mothurOut(" If you set the flip parameter to true mothur will try aligning the reverse compliment as well.");
+ }else{ m->mothurOut(" If the reverse compliment proved to be better it was reported."); }
+ m->mothurOutEndLine();
+ }else{ hasAccnos = false; }
+
+ if (m->control_pressed) { remove(accnosFileName.c_str()); remove(alignFileName.c_str()); remove(reportFileName.c_str()); outputTypes.clear(); return 0; }
+ }
+ #else
+ numFastaSeqs = driver(lines[0], alignFileName, reportFileName, accnosFileName, candidateFileNames[s]);
+
+ if (m->control_pressed) { remove(accnosFileName.c_str()); remove(alignFileName.c_str()); remove(reportFileName.c_str()); outputTypes.clear(); return 0; }
+
+ //delete accnos file if its blank else report to user
+ if (m->isBlank(accnosFileName)) { remove(accnosFileName.c_str()); hasAccnos = false; }
+ else {
+ m->mothurOut("Some of you sequences generated alignments that eliminated too many bases, a list is provided in " + accnosFileName + ".");
+ if (!flip) {
+ m->mothurOut(" If you set the flip parameter to true mothur will try aligning the reverse compliment as well.");
+ }else{ m->mothurOut(" If the reverse compliment proved to be better it was reported."); }
+ m->mothurOutEndLine();
+ }
+
+ #endif
+
+#endif
+
+
+ #ifdef USE_MPI
+ MPI_Comm_rank(MPI_COMM_WORLD, &pid);
+
+ if (pid == 0) { //only one process should output to screen
+ #endif
+
+ outputNames.push_back(alignFileName); outputTypes["fasta"].push_back(alignFileName);
+ outputNames.push_back(reportFileName); outputTypes["alignreport"].push_back(reportFileName);
+ if (hasAccnos) { outputNames.push_back(accnosFileName); outputTypes["accnos"].push_back(accnosFileName); }
+
+ #ifdef USE_MPI
+ }
+ #endif
+
+ m->mothurOut("It took " + toString(time(NULL) - start) + " secs to align " + toString(numFastaSeqs) + " sequences.");
+ m->mothurOutEndLine();
+ m->mothurOutEndLine();
}
+
+
+ m->mothurOutEndLine();
+ m->mothurOut("Output File Names: "); 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, "AlignCommand", "execute");
+ exit(1);
+ }
+}
+
+//**********************************************************************************************************************
+
+int AlignCommand::driver(linePair* filePos, string alignFName, string reportFName, string accnosFName, string filename){
+ try {
+ ofstream alignmentFile;
+ m->openOutputFile(alignFName, alignmentFile);
+
+ ofstream accnosFile;
+ m->openOutputFile(accnosFName, accnosFile);
+
+ NastReport report(reportFName);
+
+ ifstream inFASTA;
+ m->openInputFile(filename, inFASTA);
+
+ inFASTA.seekg(filePos->start);
+
+ bool done = false;
+ int count = 0;
+
+ while (!done) {
+
+ if (m->control_pressed) { return 0; }
+
+ Sequence* candidateSeq = new Sequence(inFASTA); m->gobble(inFASTA);
+ report.setCandidate(candidateSeq);
+
+ int origNumBases = candidateSeq->getNumBases();
+ string originalUnaligned = candidateSeq->getUnaligned();
+ int numBasesNeeded = origNumBases * threshold;
+
+ if (candidateSeq->getName() != "") { //incase there is a commented sequence at the end of a file
+ if (candidateSeq->getUnaligned().length() > alignment->getnRows()) {
+ alignment->resize(candidateSeq->getUnaligned().length()+1);
+ }
+
+ Sequence temp = templateDB->findClosestSequence(candidateSeq);
+ Sequence* templateSeq = &temp;
+
+ float searchScore = templateDB->getSearchScore();
+
+ Nast* nast = new Nast(alignment, candidateSeq, templateSeq);
+
+ Sequence* copy;
+
+ Nast* nast2;
+ bool needToDeleteCopy = false; //this is needed in case you have you enter the ifs below
+ //since nast does not make a copy of hte sequence passed, and it is used by the reporter below
+ //you can't delete the copy sequence til after you report, but you may choose not to create it in the first place
+ //so this bool tells you if you need to delete it
+
+ //if there is a possibility that this sequence should be reversed
+ if (candidateSeq->getNumBases() < numBasesNeeded) {
+
+ string wasBetter = "";
+ //if the user wants you to try the reverse
+ if (flip) {
+
+ //get reverse compliment
+ copy = new Sequence(candidateSeq->getName(), originalUnaligned);
+ copy->reverseComplement();
+
+ //rerun alignment
+ Sequence temp2 = templateDB->findClosestSequence(copy);
+ Sequence* templateSeq2 = &temp2;
+
+ searchScore = templateDB->getSearchScore();
+
+ nast2 = new Nast(alignment, copy, templateSeq2);
+
+ //check if any better
+ if (copy->getNumBases() > candidateSeq->getNumBases()) {
+ candidateSeq->setAligned(copy->getAligned()); //use reverse compliments alignment since its better
+ templateSeq = templateSeq2;
+ delete nast;
+ nast = nast2;
+ needToDeleteCopy = true;
+ wasBetter = "\treverse complement produced a better alignment, so mothur used the reverse complement.";
+ }else{
+ wasBetter = "\treverse complement did NOT produce a better alignment so it was not used, please check sequence.";
+ delete nast2;
+ delete copy;
+ }
+ }
+
+ //create accnos file with names
+ accnosFile << candidateSeq->getName() << wasBetter << endl;
+ }
- int numFastaSeqs=count(istreambuf_iterator<char>(in),istreambuf_iterator<char>(), '>');
- in.seekg(0);
+ report.setTemplate(templateSeq);
+ report.setSearchParameters(search, searchScore);
+ report.setAlignmentParameters(align, alignment);
+ report.setNastParameters(*nast);
- candidateFileName = globaldata->getCandidateFile();
- string candidateAligngmentFName = candidateFileName.substr(0,candidateFileName.find_last_of(".")+1) + "align";
- ofstream candidateAlignmentFile;
- openOutputFile(candidateAligngmentFName, candidateAlignmentFile);
+ alignmentFile << '>' << candidateSeq->getName() << '\n' << candidateSeq->getAligned() << endl;
+
+ report.print();
+ delete nast;
+ if (needToDeleteCopy) { delete copy; }
+
+ count++;
+ }
+ delete candidateSeq;
+
+ #if defined (__APPLE__) || (__MACH__) || (linux) || (__linux)
+ unsigned long int pos = inFASTA.tellg();
+ if ((pos == -1) || (pos >= filePos->end)) { break; }
+ #else
+ if (inFASTA.eof()) { break; }
+ #endif
+
+ //report progress
+ if((count) % 100 == 0){ m->mothurOut(toString(count)); m->mothurOutEndLine(); }
+
+ }
+ //report progress
+ if((count) % 100 != 0){ m->mothurOut(toString(count)); m->mothurOutEndLine(); }
+
+ alignmentFile.close();
+ inFASTA.close();
+ accnosFile.close();
+
+ return count;
+ }
+ catch(exception& e) {
+ m->errorOut(e, "AlignCommand", "driver");
+ exit(1);
+ }
+}
+//**********************************************************************************************************************
+#ifdef USE_MPI
+int AlignCommand::driverMPI(int start, int num, MPI_File& inMPI, MPI_File& alignFile, MPI_File& reportFile, MPI_File& accnosFile, vector<unsigned long int>& MPIPos){
+ try {
+ string outputString = "";
+ MPI_Status statusReport;
+ MPI_Status statusAlign;
+ MPI_Status statusAccnos;
+ MPI_Status status;
+ int pid;
+ MPI_Comm_rank(MPI_COMM_WORLD, &pid); //find out who we are
+
+ NastReport report;
+
+ if (pid == 0) {
+ outputString = report.getHeaders();
+ int length = outputString.length();
+
+ char* buf = new char[length];
+ memcpy(buf, outputString.c_str(), length);
+
+ MPI_File_write_shared(reportFile, buf, length, MPI_CHAR, &statusReport);
- string candidateReportFName = candidateFileName.substr(0,candidateFileName.find_last_of(".")+1) + "align.report";
- NastReport report(candidateReportFName);
+ delete buf;
+ }
+
+ for(int i=0;i<num;i++){
+
+ if (m->control_pressed) { return 0; }
- cout << "We are going to align the " << numFastaSeqs << " sequences in " << candidateFileName << "..." << endl;
- cout.flush();
-
- int start = time(NULL);
+ //read next sequence
+ int length = MPIPos[start+i+1] - MPIPos[start+i];
- for(int i=0;i<numFastaSeqs;i++){
+ char* buf4 = new char[length];
+ //memcpy(buf4, outputString.c_str(), length);
- Sequence* candidateSeq = new Sequence(in);
+ MPI_File_read_at(inMPI, MPIPos[start+i], buf4, length, MPI_CHAR, &status);
+
+ string tempBuf = buf4;
+
+ delete buf4;
+
+ if (tempBuf.length() > length) { tempBuf = tempBuf.substr(0, length); }
+
+ istringstream iss (tempBuf,istringstream::in);
+
+ Sequence* candidateSeq = new Sequence(iss);
report.setCandidate(candidateSeq);
- Sequence* templateSeq = templateDB->findClosestSequence(candidateSeq);
- report.setTemplate(templateSeq);
- report.setSearchParameters(globaldata->getSearch(), templateDB->getSearchScore());
+ int origNumBases = candidateSeq->getNumBases();
+ string originalUnaligned = candidateSeq->getUnaligned();
+ int numBasesNeeded = origNumBases * threshold;
+
+ if (candidateSeq->getName() != "") { //incase there is a commented sequence at the end of a file
+ if (candidateSeq->getUnaligned().length() > alignment->getnRows()) {
+ alignment->resize(candidateSeq->getUnaligned().length()+1);
+ }
+
+ Sequence temp = templateDB->findClosestSequence(candidateSeq);
+ Sequence* templateSeq = &temp;
+
+ float searchScore = templateDB->getSearchScore();
+
+ Nast* nast = new Nast(alignment, candidateSeq, templateSeq);
+ Sequence* copy;
+
+ Nast* nast2;
+ bool needToDeleteCopy = false; //this is needed in case you have you enter the ifs below
+ //since nast does not make a copy of hte sequence passed, and it is used by the reporter below
+ //you can't delete the copy sequence til after you report, but you may choose not to create it in the first place
+ //so this bool tells you if you need to delete it
+
+ //if there is a possibility that this sequence should be reversed
+ if (candidateSeq->getNumBases() < numBasesNeeded) {
+
+ string wasBetter = "";
+ //if the user wants you to try the reverse
+ if (flip) {
+ //get reverse compliment
+ copy = new Sequence(candidateSeq->getName(), originalUnaligned);
+ copy->reverseComplement();
+
+ //rerun alignment
+ Sequence temp2 = templateDB->findClosestSequence(copy);
+ Sequence* templateSeq2 = &temp2;
+
+ searchScore = templateDB->getSearchScore();
+
+ nast2 = new Nast(alignment, copy, templateSeq2);
+ //check if any better
+ if (copy->getNumBases() > candidateSeq->getNumBases()) {
+ candidateSeq->setAligned(copy->getAligned()); //use reverse compliments alignment since its better
+ templateSeq = templateSeq2;
+ delete nast;
+ nast = nast2;
+ needToDeleteCopy = true;
+ wasBetter = "\treverse complement produced a better alignment, so mothur used the reverse complement.";
+ }else{
+ wasBetter = "\treverse complement did NOT produce a better alignment, please check sequence.";
+ delete nast2;
+ delete copy;
+ }
+ }
+
+ //create accnos file with names
+ outputString = candidateSeq->getName() + wasBetter + "\n";
+
+ //send results to parent
+ int length = outputString.length();
+
+ char* buf = new char[length];
+ memcpy(buf, outputString.c_str(), length);
- Nast nast(alignment, candidateSeq, templateSeq);
- report.setAlignmentParameters(globaldata->getAlign(), alignment);
- report.setNastParameters(nast);
+ MPI_File_write_shared(accnosFile, buf, length, MPI_CHAR, &statusAccnos);
+ delete buf;
+ MPIWroteAccnos = true;
+ }
+
+ report.setTemplate(templateSeq);
+ report.setSearchParameters(search, searchScore);
+ report.setAlignmentParameters(align, alignment);
+ report.setNastParameters(*nast);
+
+ outputString = ">" + candidateSeq->getName() + "\n" + candidateSeq->getAligned() + "\n";
+
+ //send results to parent
+ int length = outputString.length();
+ char* buf2 = new char[length];
+ memcpy(buf2, outputString.c_str(), length);
+
+ MPI_File_write_shared(alignFile, buf2, length, MPI_CHAR, &statusAlign);
+
+ delete buf2;
- candidateAlignmentFile << '>' << candidateSeq->getName() << '\n' << candidateSeq->getAligned() << endl;
- candidateAlignmentFile.flush();
+ outputString = report.getReport();
+
+ //send results to parent
+ length = outputString.length();
+ char* buf3 = new char[length];
+ memcpy(buf3, outputString.c_str(), length);
+
+ MPI_File_write_shared(reportFile, buf3, length, MPI_CHAR, &statusReport);
+
+ delete buf3;
+ delete nast;
+ if (needToDeleteCopy) { delete copy; }
+ }
+ delete candidateSeq;
+
+ //report progress
+ if((i+1) % 100 == 0){ cout << (toString(i+1)) << endl; }
+ }
+ //report progress
+ if((num) % 100 != 0){ cout << (toString(num)) << endl; }
+
+ return 1;
+ }
+ catch(exception& e) {
+ m->errorOut(e, "AlignCommand", "driverMPI");
+ exit(1);
+ }
+}
+#endif
+/**************************************************************************************************/
- if((i+1) % 100 == 0){
- cout << "It has taken " << time(NULL) - start << " secs to align " << i+1 << " sequences" << endl;
+int AlignCommand::createProcesses(string alignFileName, string reportFileName, string accnosFName, string filename) {
+ try {
+#if defined (__APPLE__) || (__MACH__) || (linux) || (__linux)
+ int process = 0;
+ int num = 0;
+ // processIDS.resize(0);
+
+ //loop through and create all the processes you want
+ while (process != processors) {
+ int pid = fork();
+
+ if (pid > 0) {
+ processIDS.push_back(pid); //create map from line number to pid so you can append files in correct order later
+ process++;
+ }else if (pid == 0){
+ num = driver(lines[process], alignFileName + toString(getpid()) + ".temp", reportFileName + toString(getpid()) + ".temp", accnosFName + toString(getpid()) + ".temp", filename);
+
+ //pass numSeqs to parent
+ ofstream out;
+ string tempFile = alignFileName + toString(getpid()) + ".num.temp";
+ m->openOutputFile(tempFile, out);
+ out << num << endl;
+ out.close();
+
+ exit(0);
+ }else {
+ m->mothurOut("[ERROR]: unable to spawn the necessary processes."); m->mothurOutEndLine();
+ for (int i = 0; i < processIDS.size(); i++) { kill (processIDS[i], SIGINT); }
+ exit(0);
}
- report.print();
+ }
+
+ //force parent to wait until all the processes are done
+ for (int i=0;i<processors;i++) {
+ int temp = processIDS[i];
+ wait(&temp);
+ }
- delete candidateSeq;
+ for (int i = 0; i < processIDS.size(); i++) {
+ ifstream in;
+ string tempFile = alignFileName + toString(processIDS[i]) + ".num.temp";
+ m->openInputFile(tempFile, in);
+ if (!in.eof()) { int tempNum = 0; in >> tempNum; num += tempNum; }
+ in.close(); remove(tempFile.c_str());
}
- cout << "It took " << time(NULL) - start << " secs to align " << numFastaSeqs << " sequences" << endl;
- cout << endl;
+ return num;
+#endif
+ }
+ catch(exception& e) {
+ m->errorOut(e, "AlignCommand", "createProcesses");
+ exit(1);
+ }
+}
+/**************************************************************************************************/
- delete templateDB;
- delete alignment;
+void AlignCommand::appendAlignFiles(string temp, string filename) {
+ try{
+
+ ofstream output;
+ ifstream input;
+ m->openOutputFileAppend(filename, output);
+ m->openInputFile(temp, input);
+
+ while(char c = input.get()){
+ if(input.eof()) { break; }
+ else { output << c; }
+ }
+
+ input.close();
+ output.close();
+ }
+ catch(exception& e) {
+ m->errorOut(e, "AlignCommand", "appendAlignFiles");
+ exit(1);
+ }
+}
+//**********************************************************************************************************************
+
+void AlignCommand::appendReportFiles(string temp, string filename) {
+ try{
+
+ ofstream output;
+ ifstream input;
+ m->openOutputFileAppend(filename, output);
+ m->openInputFile(temp, input);
+ while (!input.eof()) { char c = input.get(); if (c == 10 || c == 13){ break; } } // get header line
- return 0;
+ while(char c = input.get()){
+ if(input.eof()) { break; }
+ else { output << c; }
+ }
+
+ input.close();
+ output.close();
}
catch(exception& e) {
- cout << "Standard Error: " << e.what() << " has occurred in the AlignCommand class Function execute. Please contact Pat Schloss at pschloss@microbio.umass.edu." << "\n";
+ m->errorOut(e, "AlignCommand", "appendReportFiles");
exit(1);
}
- catch(...) {
- cout << "An unknown error has occurred in the AlignCommand class function execute. Please contact Pat Schloss at pschloss@microbio.umass.edu." << "\n";
- exit(1);
- }
}
-
-//**********************************************************************************************************************
\ No newline at end of file
+//**********************************************************************************************************************