]> git.donarmstrong.com Git - mothur.git/commitdiff
committing so I can work on the other machine
authorwestcott <westcott>
Thu, 10 Jun 2010 17:53:15 +0000 (17:53 +0000)
committerwestcott <westcott>
Thu, 10 Jun 2010 17:53:15 +0000 (17:53 +0000)
aligncommand.cpp
chimeraslayer.cpp
decalc.cpp
distancedb.cpp
makefile
readblast.cpp
readtree.cpp
treenode.cpp

index 03992dcd04e966f6b0765c9c1a2a0d651b6e283e..c5407ca345a2ff7bdec2ed47089f7e10d1df1fc3 100644 (file)
-/*\r
- *  aligncommand.cpp\r
- *  Mothur\r
- *\r
- *  Created by Sarah Westcott on 5/15/09.\r
- *  Copyright 2009 Schloss Lab UMASS Amherst. All rights reserved.\r
- *\r
- *     This version of nast does everything I think that the greengenes nast server does and then some.  I have added the \r
- *     feature of allowing users to define their database, kmer size for searching, alignment penalty values and alignment \r
- *     method.  This latter feature is perhaps most significant.  nastPlus enables a user to use either a Needleman-Wunsch \r
- *     (non-affine gap penalty) or Gotoh (affine gap penalty) pairwise alignment algorithm.  This is significant because it\r
- *     allows for a global alignment and not the local alignment provided by bLAst.  Furthermore, it has the potential to\r
- *     provide a better alignment because of the banding method employed by blast (I'm not sure about this).\r
- *\r
- */\r
-\r
-#include "aligncommand.h"\r
-#include "sequence.hpp"\r
-\r
-#include "gotohoverlap.hpp"\r
-#include "needlemanoverlap.hpp"\r
-#include "blastalign.hpp"\r
-#include "noalign.hpp"\r
-\r
-#include "nast.hpp"\r
-#include "nastreport.hpp"\r
-\r
-\r
-//**********************************************************************************************************************\r
-\r
-AlignCommand::AlignCommand(string option)  {\r
-       try {\r
-               \r
-               abort = false;\r
-       \r
-               //allow user to run help\r
-               if(option == "help") { help(); abort = true; }\r
-               \r
-               else {\r
-                       \r
-                       //valid paramters for this command\r
-                       string AlignArray[] =  {"template","candidate","search","ksize","align","match","mismatch","gapopen","gapextend", "processors","flip","threshold","outputdir","inputdir"};\r
-                       vector<string> myArray (AlignArray, AlignArray+(sizeof(AlignArray)/sizeof(string)));\r
-                       \r
-                       OptionParser parser(option);\r
-                       map<string, string> parameters = parser.getParameters(); \r
-                       \r
-                       ValidParameters validParameter;\r
-                       map<string, string>::iterator it;\r
-                       \r
-                       //check to make sure all parameters are valid for command\r
-                       for (it = parameters.begin(); it != parameters.end(); it++) { \r
-                               if (validParameter.isValidParameter(it->first, myArray, it->second) != true) {  abort = true;  }\r
-                       }\r
-\r
-                       //if the user changes the output directory command factory will send this info to us in the output parameter \r
-                       outputDir = validParameter.validFile(parameters, "outputdir", false);           if (outputDir == "not found"){  outputDir = "";         }\r
-                       \r
-\r
-                       //if the user changes the input directory command factory will send this info to us in the output parameter \r
-                       string inputDir = validParameter.validFile(parameters, "inputdir", false);              \r
-                       \r
-                       if (inputDir == "not found"){   inputDir = "";          }\r
-                       else {\r
-                               string path;\r
-\r
-                               it = parameters.find("template");\r
-\r
-                               //user has given a template file\r
-                               if(it != parameters.end()){ \r
-                                       path = hasPath(it->second);\r
-                                       //if the user has not given a path then, add inputdir. else leave path alone.\r
-                                       if (path == "") {       parameters["template"] = inputDir + it->second;         }\r
-                               }\r
-                       }\r
-\r
-                       //check for required parameters\r
-                       templateFileName = validParameter.validFile(parameters, "template", true);\r
-                       \r
-                       if (templateFileName == "not found") { \r
-                               m->mothurOut("template is a required parameter for the align.seqs command."); \r
-                               m->mothurOutEndLine();\r
-                               abort = true; \r
-                       }else if (templateFileName == "not open") { abort = true; }     \r
-                       \r
-                       candidateFileName = validParameter.validFile(parameters, "candidate", false);\r
-                       if (candidateFileName == "not found") { m->mothurOut("candidate is a required parameter for the align.seqs command."); m->mothurOutEndLine(); abort = true;  }\r
-                       else { \r
-                               splitAtDash(candidateFileName, candidateFileNames);\r
-                               \r
-                               //go through files and make sure they are good, if not, then disregard them\r
-                               for (int i = 0; i < candidateFileNames.size(); i++) {\r
-                                       if (inputDir != "") {\r
-                                               string path = hasPath(candidateFileNames[i]);\r
-                                               //if the user has not given a path then, add inputdir. else leave path alone.\r
-                                               if (path == "") {       candidateFileNames[i] = inputDir + candidateFileNames[i];               }\r
-                                       }\r
-       \r
-                                       int ableToOpen;\r
-                                       ifstream in;\r
-                                       \r
-                                       #ifdef USE_MPI  \r
-                                               int pid;\r
-                                               MPI_Comm_size(MPI_COMM_WORLD, &processors); //set processors to the number of mpi processes running\r
-                                               MPI_Comm_rank(MPI_COMM_WORLD, &pid); //find out who we are\r
-                               \r
-                                               if (pid == 0) {\r
-                                       #endif\r
-\r
-                                       ableToOpen = openInputFile(candidateFileNames[i], in);\r
-                                       in.close();\r
-                                       \r
-                                       #ifdef USE_MPI  \r
-                                                       for (int j = 1; j < processors; j++) {\r
-                                                               MPI_Send(&ableToOpen, 1, MPI_INT, j, 2001, MPI_COMM_WORLD); \r
-                                                       }\r
-                                               }else{\r
-                                                       MPI_Status status;\r
-                                                       MPI_Recv(&ableToOpen, 1, MPI_INT, 0, 2001, MPI_COMM_WORLD, &status);\r
-                                               }\r
-                                               \r
-                                       #endif\r
-\r
-                                       if (ableToOpen == 1) { \r
-                                               m->mothurOut(candidateFileNames[i] + " will be disregarded."); m->mothurOutEndLine(); \r
-                                               //erase from file list\r
-                                               candidateFileNames.erase(candidateFileNames.begin()+i);\r
-                                               i--;\r
-                                       }\r
-                                       \r
-                               }\r
-                               \r
-                               //make sure there is at least one valid file left\r
-                               if (candidateFileNames.size() == 0) { m->mothurOut("no valid files."); m->mothurOutEndLine(); abort = true; }\r
-                       }\r
-               \r
-                       //check for optional parameter and set defaults\r
-                       // ...at some point should added some additional type checking...\r
-                       string temp;\r
-                       temp = validParameter.validFile(parameters, "ksize", false);            if (temp == "not found"){       temp = "8";                             }\r
-                       convert(temp, kmerSize); \r
-                       \r
-                       temp = validParameter.validFile(parameters, "match", false);            if (temp == "not found"){       temp = "1.0";                   }\r
-                       convert(temp, match);  \r
-                       \r
-                       temp = validParameter.validFile(parameters, "mismatch", false);         if (temp == "not found"){       temp = "-1.0";                  }\r
-                       convert(temp, misMatch);  \r
-                       \r
-                       temp = validParameter.validFile(parameters, "gapopen", false);          if (temp == "not found"){       temp = "-2.0";                  }\r
-                       convert(temp, gapOpen);  \r
-                       \r
-                       temp = validParameter.validFile(parameters, "gapextend", false);        if (temp == "not found"){       temp = "-1.0";                  }\r
-                       convert(temp, gapExtend); \r
-                       \r
-                       temp = validParameter.validFile(parameters, "processors", false);       if (temp == "not found"){       temp = "1";                             }\r
-                       convert(temp, processors); \r
-                       \r
-                       temp = validParameter.validFile(parameters, "flip", false);                     if (temp == "not found"){       temp = "f";                             }\r
-                       flip = isTrue(temp); \r
-                       \r
-                       temp = validParameter.validFile(parameters, "threshold", false);        if (temp == "not found"){       temp = "0.50";                  }\r
-                       convert(temp, threshold); \r
-                       \r
-                       search = validParameter.validFile(parameters, "search", false);         if (search == "not found"){     search = "kmer";                }\r
-                       \r
-                       align = validParameter.validFile(parameters, "align", false);           if (align == "not found"){      align = "needleman";    }\r
-               }\r
-               \r
-       }\r
-       catch(exception& e) {\r
-               m->errorOut(e, "AlignCommand", "AlignCommand");\r
-               exit(1);\r
-       }\r
-}\r
-\r
-//**********************************************************************************************************************\r
-\r
-AlignCommand::~AlignCommand(){ \r
-\r
-       if (abort == false) {\r
-               for (int i = 0; i < lines.size(); i++) {  delete lines[i];  }  lines.clear();\r
-               delete templateDB;\r
-               delete alignment;\r
-       }\r
-}\r
-\r
-//**********************************************************************************************************************\r
-\r
-void AlignCommand::help(){\r
-       try {\r
-               m->mothurOut("The align.seqs command reads a file containing sequences and creates an alignment file and a report file.\n");\r
-               m->mothurOut("The align.seqs command parameters are template, candidate, search, ksize, align, match, mismatch, gapopen and gapextend.\n");\r
-               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");\r
-               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");\r
-               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");\r
-               m->mothurOut("The ksize parameter allows you to specify the kmer size for finding most similar template to candidate.  The default is 8.\n");\r
-               m->mothurOut("The match parameter allows you to specify the bonus for having the same base. The default is 1.0.\n");\r
-               m->mothurOut("The mistmatch parameter allows you to specify the penalty for having different bases.  The default is -1.0.\n");\r
-               m->mothurOut("The gapopen parameter allows you to specify the penalty for opening a gap in an alignment. The default is -2.0.\n");\r
-               m->mothurOut("The gapextend parameter allows you to specify the penalty for extending a gap in an alignment.  The default is -1.0.\n");\r
-               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");\r
-               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");\r
-               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");\r
-               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");\r
-               m->mothurOut("The align.seqs command should be in the following format: \n");\r
-               m->mothurOut("align.seqs(template=yourTemplateFile, candidate=yourCandidateFile, align=yourAlignmentMethod, search=yourSearchmethod, ksize=yourKmerSize, match=yourMatchBonus, mismatch=yourMismatchpenalty, gapopen=yourGapopenPenalty, gapextend=yourGapExtendPenalty) \n");\r
-               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");\r
-               m->mothurOut("Note: No spaces between parameter labels (i.e. candidate), '=' and parameters (i.e.yourFastaFile).\n\n");\r
-       }\r
-       catch(exception& e) {\r
-               m->errorOut(e, "AlignCommand", "help");\r
-               exit(1);\r
-       }\r
-}\r
-\r
-\r
-//**********************************************************************************************************************\r
-\r
-int AlignCommand::execute(){\r
-       try {\r
-               if (abort == true) {    return 0;       }\r
-\r
-               templateDB = new AlignmentDB(templateFileName, search, kmerSize, gapOpen, gapExtend, match, misMatch);\r
-               int longestBase = templateDB->getLongestBase();\r
-               \r
-               if(align == "gotoh")                    {       alignment = new GotohOverlap(gapOpen, gapExtend, match, misMatch, longestBase);                 }\r
-               else if(align == "needleman")   {       alignment = new NeedlemanOverlap(gapOpen, match, misMatch, longestBase);                                }\r
-               else if(align == "blast")               {       alignment = new BlastAlignment(gapOpen, gapExtend, match, misMatch);            }\r
-               else if(align == "noalign")             {       alignment = new NoAlign();                                                                                                      }\r
-               else {\r
-                       m->mothurOut(align + " is not a valid alignment option. I will run the command using needleman.");\r
-                       m->mothurOutEndLine();\r
-                       alignment = new NeedlemanOverlap(gapOpen, match, misMatch, longestBase);\r
-               }\r
-               vector<string> outputNames;\r
-               \r
-               for (int s = 0; s < candidateFileNames.size(); s++) {\r
-                       if (m->control_pressed) { return 0; }\r
-                       \r
-                       m->mothurOut("Aligning sequences from " + candidateFileNames[s] + " ..." ); m->mothurOutEndLine();\r
-                       \r
-                       if (outputDir == "") {  outputDir += hasPath(candidateFileNames[s]); }\r
-                       string alignFileName = outputDir + getRootName(getSimpleName(candidateFileNames[s])) + "align";\r
-                       string reportFileName = outputDir + getRootName(getSimpleName(candidateFileNames[s])) + "align.report";\r
-                       string accnosFileName = outputDir + getRootName(getSimpleName(candidateFileNames[s])) + "flip.accnos";\r
-                       bool hasAccnos = true;\r
-                       \r
-                       int numFastaSeqs = 0;\r
-                       for (int i = 0; i < lines.size(); i++) {  delete lines[i];  }  lines.clear();\r
-                       int start = time(NULL);\r
-               \r
-#ifdef USE_MPI \r
-                               int pid, end, numSeqsPerProcessor; \r
-                               int tag = 2001;\r
-                               vector<long> MPIPos;\r
-                               MPIWroteAccnos = false;\r
-                               \r
-                               MPI_Status status; \r
-                               MPI_Comm_rank(MPI_COMM_WORLD, &pid); //find out who we are\r
-                               MPI_Comm_size(MPI_COMM_WORLD, &processors); \r
-\r
-                               MPI_File inMPI;\r
-                               MPI_File outMPIAlign;\r
-                               MPI_File outMPIReport;\r
-                               MPI_File outMPIAccnos;\r
-                               \r
-                               int outMode=MPI_MODE_CREATE|MPI_MODE_WRONLY; \r
-                               int inMode=MPI_MODE_RDONLY; \r
-                               \r
-                               //char* outAlignFilename = new char[alignFileName.length()];\r
-                               //memcpy(outAlignFilename, alignFileName.c_str(), alignFileName.length());\r
-                               \r
-                               char outAlignFilename[1024];\r
-                               strcpy(outAlignFilename, alignFileName.c_str());\r
-\r
-                               //char* outReportFilename = new char[reportFileName.length()];\r
-                               //memcpy(outReportFilename, reportFileName.c_str(), reportFileName.length());\r
-                               \r
-                               char outReportFilename[1024];\r
-                               strcpy(outReportFilename, reportFileName.c_str());\r
-\r
-                               //char* outAccnosFilename = new char[accnosFileName.length()];\r
-                               //memcpy(outAccnosFilename, accnosFileName.c_str(), accnosFileName.length());\r
-                               \r
-                               char outAccnosFilename[1024];\r
-                               strcpy(outAccnosFilename, accnosFileName.c_str());\r
-\r
-                               //char* inFileName = new char[candidateFileNames[s].length()];\r
-                               //memcpy(inFileName, candidateFileNames[s].c_str(), candidateFileNames[s].length());\r
-                               \r
-                               char inFileName[1024];\r
-                               strcpy(inFileName, candidateFileNames[s].c_str());\r
-                               \r
-                               MPI_File_open(MPI_COMM_WORLD, inFileName, inMode, MPI_INFO_NULL, &inMPI);  //comm, filename, mode, info, filepointer\r
-                               MPI_File_open(MPI_COMM_WORLD, outAlignFilename, outMode, MPI_INFO_NULL, &outMPIAlign);\r
-                               MPI_File_open(MPI_COMM_WORLD, outReportFilename, outMode, MPI_INFO_NULL, &outMPIReport);\r
-                               MPI_File_open(MPI_COMM_WORLD, outAccnosFilename, outMode, MPI_INFO_NULL, &outMPIAccnos);\r
-                               \r
-                               if (m->control_pressed) { MPI_File_close(&inMPI);  MPI_File_close(&outMPIAlign);  MPI_File_close(&outMPIReport);  MPI_File_close(&outMPIAccnos); return 0; }\r
-                               \r
-                               if (pid == 0) { //you are the root process \r
-                                       \r
-                                       MPIPos = setFilePosFasta(candidateFileNames[s], numFastaSeqs); //fills MPIPos, returns numSeqs\r
-                                       \r
-                                       //send file positions to all processes\r
-                                       for(int i = 1; i < processors; i++) { \r
-                                               MPI_Send(&numFastaSeqs, 1, MPI_INT, i, tag, MPI_COMM_WORLD);\r
-                                               MPI_Send(&MPIPos[0], (numFastaSeqs+1), MPI_LONG, i, tag, MPI_COMM_WORLD);\r
-                                       }\r
-                                       \r
-                                       //figure out how many sequences you have to align\r
-                                       numSeqsPerProcessor = numFastaSeqs / processors;\r
-                                       int startIndex =  pid * numSeqsPerProcessor;\r
-                                       if(pid == (processors - 1)){    numSeqsPerProcessor = numFastaSeqs - pid * numSeqsPerProcessor;         }\r
-                                       \r
-                               \r
-                                       //align your part\r
-                                       driverMPI(startIndex, numSeqsPerProcessor, inMPI, outMPIAlign, outMPIReport, outMPIAccnos, MPIPos);\r
-                                       \r
-                                       if (m->control_pressed) { MPI_File_close(&inMPI);  MPI_File_close(&outMPIAlign);  MPI_File_close(&outMPIReport);  MPI_File_close(&outMPIAccnos); return 0; }\r
-\r
-                                       for (int i = 1; i < processors; i++) {\r
-                                               bool tempResult;\r
-                                               MPI_Recv(&tempResult, 1, MPI_INT, i, tag, MPI_COMM_WORLD, &status);\r
-                                               if (tempResult != 0) { MPIWroteAccnos = true; }\r
-                                       }\r
-                               }else{ //you are a child process\r
-                                       MPI_Recv(&numFastaSeqs, 1, MPI_INT, 0, tag, MPI_COMM_WORLD, &status);\r
-                                       MPIPos.resize(numFastaSeqs+1);\r
-                                       MPI_Recv(&MPIPos[0], (numFastaSeqs+1), MPI_LONG, 0, tag, MPI_COMM_WORLD, &status);\r
-\r
-                                       \r
-                                       //figure out how many sequences you have to align\r
-                                       numSeqsPerProcessor = numFastaSeqs / processors;\r
-                                       int startIndex =  pid * numSeqsPerProcessor;\r
-                                       if(pid == (processors - 1)){    numSeqsPerProcessor = numFastaSeqs - pid * numSeqsPerProcessor;         }\r
-                                       \r
-                                       \r
-                                       //align your part\r
-                                       driverMPI(startIndex, numSeqsPerProcessor, inMPI, outMPIAlign, outMPIReport, outMPIAccnos, MPIPos);\r
-                                       \r
-                                       if (m->control_pressed) { MPI_File_close(&inMPI);  MPI_File_close(&outMPIAlign);  MPI_File_close(&outMPIReport);  MPI_File_close(&outMPIAccnos); return 0; }\r
-\r
-                                       MPI_Send(&MPIWroteAccnos, 1, MPI_INT, 0, tag, MPI_COMM_WORLD); \r
-                               }\r
-                               \r
-                               //close files \r
-                               MPI_File_close(&inMPI);\r
-                               MPI_File_close(&outMPIAlign);\r
-                               MPI_File_close(&outMPIReport);\r
-                               MPI_File_close(&outMPIAccnos);\r
-                               \r
-                               //delete accnos file if blank\r
-                               if (pid == 0) {\r
-                                       //delete accnos file if its blank else report to user\r
-                                       if (MPIWroteAccnos) { \r
-                                               m->mothurOut("Some of you sequences generated alignments that eliminated too many bases, a list is provided in " + accnosFileName + ".");\r
-                                               if (!flip) {\r
-                                                       m->mothurOut(" If you set the flip parameter to true mothur will try aligning the reverse compliment as well."); \r
-                                               }else{  m->mothurOut(" If the reverse compliment proved to be better it was reported.");  }\r
-                                               m->mothurOutEndLine();\r
-                                       }else { \r
-                                               //MPI_Info info;\r
-                                               //MPI_File_delete(outAccnosFilename, info);\r
-                                               hasAccnos = false;      \r
-                                               remove(accnosFileName.c_str()); \r
-                                       }\r
-                               }\r
-                               \r
-#else\r
-                       \r
-       #if defined (__APPLE__) || (__MACH__) || (linux) || (__linux)\r
-                       if(processors == 1){\r
-                               ifstream inFASTA;\r
-                               openInputFile(candidateFileNames[s], inFASTA);\r
-                               numFastaSeqs=count(istreambuf_iterator<char>(inFASTA),istreambuf_iterator<char>(), '>');\r
-                               inFASTA.close();\r
-                               \r
-                               lines.push_back(new linePair(0, numFastaSeqs));\r
-                               \r
-                               driver(lines[0], alignFileName, reportFileName, accnosFileName, candidateFileNames[s]);\r
-                               \r
-                               if (m->control_pressed) { \r
-                                       remove(accnosFileName.c_str()); \r
-                                       remove(alignFileName.c_str()); \r
-                                       remove(reportFileName.c_str()); \r
-                                       return 0; \r
-                               }\r
-                               \r
-                               //delete accnos file if its blank else report to user\r
-                               if (isBlank(accnosFileName)) {  remove(accnosFileName.c_str());  hasAccnos = false; }\r
-                               else { \r
-                                       m->mothurOut("Some of you sequences generated alignments that eliminated too many bases, a list is provided in " + accnosFileName + ".");\r
-                                       if (!flip) {\r
-                                               m->mothurOut(" If you set the flip parameter to true mothur will try aligning the reverse compliment as well."); \r
-                                       }else{  m->mothurOut(" If the reverse compliment proved to be better it was reported.");  }\r
-                                       m->mothurOutEndLine();\r
-                               }\r
-                       }\r
-                       else{\r
-                               vector<int> positions;\r
-                               processIDS.resize(0);\r
-                               \r
-                               ifstream inFASTA;\r
-                               openInputFile(candidateFileNames[s], inFASTA);\r
-                               \r
-                               string input;\r
-                               while(!inFASTA.eof()){\r
-                                       input = getline(inFASTA);\r
-                                       if (input.length() != 0) {\r
-                                               if(input[0] == '>'){    long int pos = inFASTA.tellg(); positions.push_back(pos - input.length() - 1);  }\r
-                                       }\r
-                               }\r
-                               inFASTA.close();\r
-                               \r
-                               numFastaSeqs = positions.size();\r
-                               \r
-                               int numSeqsPerProcessor = numFastaSeqs / processors;\r
-                               \r
-                               for (int i = 0; i < processors; i++) {\r
-                                       long int startPos = positions[ i * numSeqsPerProcessor ];\r
-                                       if(i == processors - 1){\r
-                                               numSeqsPerProcessor = numFastaSeqs - i * numSeqsPerProcessor;\r
-                                       }\r
-                                       lines.push_back(new linePair(startPos, numSeqsPerProcessor));\r
-                               }\r
-                               \r
-                               createProcesses(alignFileName, reportFileName, accnosFileName, candidateFileNames[s]); \r
-                               \r
-                               rename((alignFileName + toString(processIDS[0]) + ".temp").c_str(), alignFileName.c_str());\r
-                               rename((reportFileName + toString(processIDS[0]) + ".temp").c_str(), reportFileName.c_str());\r
-                               \r
-                               //append alignment and report files\r
-                               for(int i=1;i<processors;i++){\r
-                                       appendAlignFiles((alignFileName + toString(processIDS[i]) + ".temp"), alignFileName);\r
-                                       remove((alignFileName + toString(processIDS[i]) + ".temp").c_str());\r
-                                       \r
-                                       appendReportFiles((reportFileName + toString(processIDS[i]) + ".temp"), reportFileName);\r
-                                       remove((reportFileName + toString(processIDS[i]) + ".temp").c_str());\r
-                               }\r
-                               \r
-                               vector<string> nonBlankAccnosFiles;\r
-                               //delete blank accnos files generated with multiple processes\r
-                               for(int i=0;i<processors;i++){  \r
-                                       if (!(isBlank(accnosFileName + toString(processIDS[i]) + ".temp"))) {\r
-                                               nonBlankAccnosFiles.push_back(accnosFileName + toString(processIDS[i]) + ".temp");\r
-                                       }else { remove((accnosFileName + toString(processIDS[i]) + ".temp").c_str());  }\r
-                               }\r
-                               \r
-                               //append accnos files\r
-                               if (nonBlankAccnosFiles.size() != 0) { \r
-                                       rename(nonBlankAccnosFiles[0].c_str(), accnosFileName.c_str());\r
-                                       \r
-                                       for (int h=1; h < nonBlankAccnosFiles.size(); h++) {\r
-                                               appendAlignFiles(nonBlankAccnosFiles[h], accnosFileName);\r
-                                               remove(nonBlankAccnosFiles[h].c_str());\r
-                                       }\r
-                                       m->mothurOut("Some of you sequences generated alignments that eliminated too many bases, a list is provided in " + accnosFileName + ".");\r
-                                       if (!flip) {\r
-                                               m->mothurOut(" If you set the flip parameter to true mothur will try aligning the reverse compliment as well."); \r
-                                       }else{  m->mothurOut(" If the reverse compliment proved to be better it was reported.");  }\r
-                                       m->mothurOutEndLine();\r
-                               }else{ hasAccnos = false;  }\r
-                               \r
-                               if (m->control_pressed) { \r
-                                       remove(accnosFileName.c_str()); \r
-                                       remove(alignFileName.c_str()); \r
-                                       remove(reportFileName.c_str()); \r
-                                       return 0; \r
-                               }\r
-                       }\r
-       #else\r
-                       ifstream inFASTA;\r
-                       openInputFile(candidateFileNames[s], inFASTA);\r
-                       numFastaSeqs=count(istreambuf_iterator<char>(inFASTA),istreambuf_iterator<char>(), '>');\r
-                       inFASTA.close();\r
-                       \r
-                       lines.push_back(new linePair(0, numFastaSeqs));\r
-                       \r
-                       driver(lines[0], alignFileName, reportFileName, accnosFileName, candidateFileNames[s]);\r
-                       \r
-                       if (m->control_pressed) { \r
-                               remove(accnosFileName.c_str()); \r
-                               remove(alignFileName.c_str()); \r
-                               remove(reportFileName.c_str()); \r
-                               return 0; \r
-                       }\r
-                       \r
-                       //delete accnos file if its blank else report to user\r
-                       if (isBlank(accnosFileName)) {  remove(accnosFileName.c_str());  hasAccnos = false; }\r
-                       else { \r
-                               m->mothurOut("Some of you sequences generated alignments that eliminated too many bases, a list is provided in " + accnosFileName + ".");\r
-                               if (!flip) {\r
-                                       m->mothurOut(" If you set the flip parameter to true mothur will try aligning the reverse compliment as well."); \r
-                               }else{  m->mothurOut(" If the reverse compliment proved to be better it was reported.");  }\r
-                               m->mothurOutEndLine();\r
-                       }\r
-                       \r
-       #endif\r
-\r
-#endif         \r
-\r
-\r
-               #ifdef USE_MPI\r
-                       MPI_Comm_rank(MPI_COMM_WORLD, &pid); \r
-                                       \r
-                       if (pid == 0) { //only one process should output to screen\r
-               #endif\r
-\r
-                       outputNames.push_back(alignFileName);\r
-                       outputNames.push_back(reportFileName);\r
-                       if (hasAccnos)  {       outputNames.push_back(accnosFileName);          }\r
-                       \r
-               #ifdef USE_MPI\r
-                       }\r
-               #endif\r
-\r
-                       m->mothurOut("It took " + toString(time(NULL) - start) + " secs to align " + toString(numFastaSeqs) + " sequences.");\r
-                       m->mothurOutEndLine();\r
-                       m->mothurOutEndLine();\r
-               }\r
-               \r
-               \r
-               m->mothurOutEndLine();\r
-               m->mothurOut("Output File Names: "); m->mothurOutEndLine();\r
-               for (int i = 0; i < outputNames.size(); i++) {  m->mothurOut(outputNames[i]); m->mothurOutEndLine();    }\r
-               m->mothurOutEndLine();\r
-\r
-               return 0;\r
-       }\r
-       catch(exception& e) {\r
-               m->errorOut(e, "AlignCommand", "execute");\r
-               exit(1);\r
-       }\r
-}\r
-\r
-//**********************************************************************************************************************\r
-\r
-int AlignCommand::driver(linePair* line, string alignFName, string reportFName, string accnosFName, string filename){\r
-       try {\r
-               ofstream alignmentFile;\r
-               openOutputFile(alignFName, alignmentFile);\r
-               \r
-               ofstream accnosFile;\r
-               openOutputFile(accnosFName, accnosFile);\r
-               \r
-               NastReport report(reportFName);\r
-               \r
-               ifstream inFASTA;\r
-               openInputFile(filename, inFASTA);\r
-\r
-               inFASTA.seekg(line->start);\r
-       \r
-               for(int i=0;i<line->numSeqs;i++){\r
-                       \r
-                       if (m->control_pressed) {  return 0; }\r
-                       \r
-                       Sequence* candidateSeq = new Sequence(inFASTA);  gobble(inFASTA);\r
-       \r
-                       int origNumBases = candidateSeq->getNumBases();\r
-                       string originalUnaligned = candidateSeq->getUnaligned();\r
-                       int numBasesNeeded = origNumBases * threshold;\r
-       \r
-                       if (candidateSeq->getName() != "") { //incase there is a commented sequence at the end of a file\r
-                               if (candidateSeq->getUnaligned().length() > alignment->getnRows()) {\r
-                                       alignment->resize(candidateSeq->getUnaligned().length()+1);\r
-                               }\r
-                                                               \r
-                               Sequence temp = templateDB->findClosestSequence(candidateSeq);\r
-                               Sequence* templateSeq = &temp;\r
-                               \r
-                               float searchScore = templateDB->getSearchScore();\r
-                                                               \r
-                               Nast* nast = new Nast(alignment, candidateSeq, templateSeq);\r
-                               Sequence* copy;\r
-                               \r
-                               Nast* nast2;\r
-                               bool needToDeleteCopy = false;  //this is needed in case you have you enter the ifs below\r
-                                                                                               //since nast does not make a copy of hte sequence passed, and it is used by the reporter below\r
-                                                                                               //you can't delete the copy sequence til after you report, but you may choose not to create it in the first place\r
-                                                                                               //so this bool tells you if you need to delete it\r
-                                                                                               \r
-                               //if there is a possibility that this sequence should be reversed\r
-                               if (candidateSeq->getNumBases() < numBasesNeeded) {\r
-                                       \r
-                                       string wasBetter = "";\r
-                                       //if the user wants you to try the reverse\r
-                                       if (flip) {\r
-                                               //get reverse compliment\r
-                                               copy = new Sequence(candidateSeq->getName(), originalUnaligned);\r
-                                               copy->reverseComplement();\r
-                                               \r
-                                               //rerun alignment\r
-                                               Sequence temp2 = templateDB->findClosestSequence(copy);\r
-                                               Sequence* templateSeq2 = &temp2;\r
-                                               \r
-                                               searchScore = templateDB->getSearchScore();\r
-                                               \r
-                                               nast2 = new Nast(alignment, copy, templateSeq2);\r
-                       \r
-                                               //check if any better\r
-                                               if (copy->getNumBases() > candidateSeq->getNumBases()) {\r
-                                                       candidateSeq->setAligned(copy->getAligned());  //use reverse compliments alignment since its better\r
-                                                       templateSeq = templateSeq2; \r
-                                                       delete nast;\r
-                                                       nast = nast2;\r
-                                                       needToDeleteCopy = true;\r
-                                               }else{  \r
-                                                       wasBetter = "\treverse complement did NOT produce a better alignment, please check sequence.";\r
-                                                       delete nast2;\r
-                                                       delete copy;    \r
-                                               }\r
-                                       }\r
-                                       \r
-                                       //create accnos file with names\r
-                                       accnosFile << candidateSeq->getName() << wasBetter << endl;\r
-                               }\r
-                               \r
-                               report.setCandidate(candidateSeq);\r
-                               report.setTemplate(templateSeq);\r
-                               report.setSearchParameters(search, searchScore);\r
-                               report.setAlignmentParameters(align, alignment);\r
-                               report.setNastParameters(*nast);\r
-       \r
-                               alignmentFile << '>' << candidateSeq->getName() << '\n' << candidateSeq->getAligned() << endl;\r
-                               \r
-                               report.print();\r
-                               delete nast;\r
-                               if (needToDeleteCopy) {   delete copy;   }\r
-                       }\r
-                       delete candidateSeq;\r
-                       \r
-                       //report progress\r
-                       if((i+1) % 100 == 0){   m->mothurOut(toString(i+1)); m->mothurOutEndLine();             }\r
-               }\r
-               //report progress\r
-               if((line->numSeqs) % 100 != 0){ m->mothurOut(toString(line->numSeqs)); m->mothurOutEndLine();           }\r
-               \r
-               alignmentFile.close();\r
-               inFASTA.close();\r
-               accnosFile.close();\r
-               \r
-               return 1;\r
-       }\r
-       catch(exception& e) {\r
-               m->errorOut(e, "AlignCommand", "driver");\r
-               exit(1);\r
-       }\r
-}\r
-//**********************************************************************************************************************\r
-#ifdef USE_MPI\r
-int AlignCommand::driverMPI(int start, int num, MPI_File& inMPI, MPI_File& alignFile, MPI_File& reportFile, MPI_File& accnosFile, vector<long>& MPIPos){\r
-       try {\r
-               string outputString = "";\r
-               MPI_Status statusReport; \r
-               MPI_Status statusAlign; \r
-               MPI_Status statusAccnos; \r
-               MPI_Status status; \r
-               int pid;\r
-               MPI_Comm_rank(MPI_COMM_WORLD, &pid); //find out who we are\r
-       \r
-               NastReport report;\r
-               \r
-               if (pid == 0) {\r
-                       outputString = report.getHeaders();\r
-                       int length = outputString.length();\r
-            \r
-                       char* buf = new char[length];\r
-                       memcpy(buf, outputString.c_str(), length);\r
-               \r
-                       MPI_File_write_shared(reportFile, buf, length, MPI_CHAR, &statusReport);\r
-\r
-            delete buf;\r
-               }\r
-               \r
-               for(int i=0;i<num;i++){\r
-               \r
-                       if (m->control_pressed) {  return 0; }\r
-\r
-                       //read next sequence\r
-                       int length = MPIPos[start+i+1] - MPIPos[start+i];\r
-\r
-                       char* buf4 = new char[length];\r
-                       memcpy(buf4, outputString.c_str(), length);\r
-\r
-                       MPI_File_read_at(inMPI, MPIPos[start+i], buf4, length, MPI_CHAR, &status);\r
-                       \r
-                       string tempBuf = buf4;\r
-\r
-                       delete buf4;\r
-\r
-                       if (tempBuf.length() > length) { tempBuf = tempBuf.substr(0, length);  }\r
-                       istringstream iss (tempBuf,istringstream::in);\r
-       \r
-                       Sequence* candidateSeq = new Sequence(iss);  \r
-                       int origNumBases = candidateSeq->getNumBases();\r
-                       string originalUnaligned = candidateSeq->getUnaligned();\r
-                       int numBasesNeeded = origNumBases * threshold;\r
-       \r
-                       if (candidateSeq->getName() != "") { //incase there is a commented sequence at the end of a file\r
-                               if (candidateSeq->getUnaligned().length() > alignment->getnRows()) {\r
-                                       alignment->resize(candidateSeq->getUnaligned().length()+1);\r
-                               }\r
-                                                               \r
-                               Sequence temp = templateDB->findClosestSequence(candidateSeq);\r
-                               Sequence* templateSeq = &temp;\r
-                               \r
-                               float searchScore = templateDB->getSearchScore();\r
-                                                               \r
-                               Nast* nast = new Nast(alignment, candidateSeq, templateSeq);\r
-                               Sequence* copy;\r
-                               \r
-                               Nast* nast2;\r
-                               bool needToDeleteCopy = false;  //this is needed in case you have you enter the ifs below\r
-                                                                                               //since nast does not make a copy of hte sequence passed, and it is used by the reporter below\r
-                                                                                               //you can't delete the copy sequence til after you report, but you may choose not to create it in the first place\r
-                                                                                               //so this bool tells you if you need to delete it\r
-                                                                                               \r
-                               //if there is a possibility that this sequence should be reversed\r
-                               if (candidateSeq->getNumBases() < numBasesNeeded) {\r
-                                       \r
-                                       string wasBetter = "";\r
-                                       //if the user wants you to try the reverse\r
-                                       if (flip) {\r
-                                               //get reverse compliment\r
-                                               copy = new Sequence(candidateSeq->getName(), originalUnaligned);\r
-                                               copy->reverseComplement();\r
-                                               \r
-                                               //rerun alignment\r
-                                               Sequence temp2 = templateDB->findClosestSequence(copy);\r
-                                               Sequence* templateSeq2 = &temp2;\r
-                                               \r
-                                               searchScore = templateDB->getSearchScore();\r
-                                               \r
-                                               nast2 = new Nast(alignment, copy, templateSeq2);\r
-                       \r
-                                               //check if any better\r
-                                               if (copy->getNumBases() > candidateSeq->getNumBases()) {\r
-                                                       candidateSeq->setAligned(copy->getAligned());  //use reverse compliments alignment since its better\r
-                                                       templateSeq = templateSeq2; \r
-                                                       delete nast;\r
-                                                       nast = nast2;\r
-                                                       needToDeleteCopy = true;\r
-                                               }else{  \r
-                                                       wasBetter = "\treverse complement did NOT produce a better alignment, please check sequence.";\r
-                                                       delete nast2;\r
-                                                       delete copy;    \r
-                                               }\r
-                                       }\r
-                                       \r
-                                       //create accnos file with names\r
-                                       outputString = candidateSeq->getName() + wasBetter + "\n";\r
-                                       \r
-                                       //send results to parent\r
-                                       int length = outputString.length();\r
-\r
-                                       char* buf = new char[length];\r
-                                       memcpy(buf, outputString.c_str(), length);\r
-                               \r
-                                       MPI_File_write_shared(accnosFile, buf, length, MPI_CHAR, &statusAccnos);\r
-                                       delete buf;\r
-                                       MPIWroteAccnos = true;\r
-                               }\r
-                               \r
-                               report.setCandidate(candidateSeq);\r
-                               report.setTemplate(templateSeq);\r
-                               report.setSearchParameters(search, searchScore);\r
-                               report.setAlignmentParameters(align, alignment);\r
-                               report.setNastParameters(*nast);\r
-       \r
-                               outputString =  ">" + candidateSeq->getName() + "\n" + candidateSeq->getAligned() + "\n";\r
-                               \r
-                               //send results to parent\r
-                               int length = outputString.length();\r
-                               char* buf2 = new char[length];\r
-                               memcpy(buf2, outputString.c_str(), length);\r
-                               \r
-                               MPI_File_write_shared(alignFile, buf2, length, MPI_CHAR, &statusAlign);\r
-                               \r
-                               delete buf2;\r
-\r
-                               outputString = report.getReport();\r
-                               \r
-                               //send results to parent\r
-                               length = outputString.length();\r
-                               char* buf3 = new char[length];\r
-                               memcpy(buf3, outputString.c_str(), length);\r
-                               \r
-                               MPI_File_write_shared(reportFile, buf3, length, MPI_CHAR, &statusReport);\r
-                               \r
-                               delete buf3;\r
-                               delete nast;\r
-                               if (needToDeleteCopy) {   delete copy;   }\r
-                       }\r
-                       delete candidateSeq;\r
-                       \r
-                       //report progress\r
-                       if((i+1) % 100 == 0){   cout << (toString(i+1)) << endl;                }\r
-               }\r
-               //report progress\r
-               if((num) % 100 != 0){   cout << (toString(num)) << endl;                }\r
-               \r
-               return 1;\r
-       }\r
-       catch(exception& e) {\r
-               m->errorOut(e, "AlignCommand", "driverMPI");\r
-               exit(1);\r
-       }\r
-}\r
-#endif\r
-/**************************************************************************************************/\r
-\r
-int AlignCommand::createProcesses(string alignFileName, string reportFileName, string accnosFName, string filename) {\r
-       try {\r
-#if defined (__APPLE__) || (__MACH__) || (linux) || (__linux)\r
-               int process = 0;\r
-               int exitCommand = 1;\r
-               //              processIDS.resize(0);\r
-               \r
-               //loop through and create all the processes you want\r
-               while (process != processors) {\r
-                       int pid = fork();\r
-                       \r
-                       if (pid > 0) {\r
-                               processIDS.push_back(pid);  //create map from line number to pid so you can append files in correct order later\r
-                               process++;\r
-                       }else if (pid == 0){\r
-                               exitCommand = driver(lines[process], alignFileName + toString(getpid()) + ".temp", reportFileName + toString(getpid()) + ".temp", accnosFName + toString(getpid()) + ".temp", filename);\r
-                               exit(0);\r
-                       }else { m->mothurOut("unable to spawn the necessary processes."); m->mothurOutEndLine(); exit(0); }\r
-               }\r
-               \r
-               //force parent to wait until all the processes are done\r
-               for (int i=0;i<processors;i++) { \r
-                       int temp = processIDS[i];\r
-                       wait(&temp);\r
-               }\r
-               \r
-               return exitCommand;\r
-#endif         \r
-       }\r
-       catch(exception& e) {\r
-               m->errorOut(e, "AlignCommand", "createProcesses");\r
-               exit(1);\r
-       }\r
-}\r
-\r
-/**************************************************************************************************/\r
-\r
-void AlignCommand::appendAlignFiles(string temp, string filename) {\r
-       try{\r
-               \r
-               ofstream output;\r
-               ifstream input;\r
-               openOutputFileAppend(filename, output);\r
-               openInputFile(temp, input);\r
-               \r
-               while(char c = input.get()){\r
-                       if(input.eof())         {       break;                  }\r
-                       else                            {       output << c;    }\r
-               }\r
-               \r
-               input.close();\r
-               output.close();\r
-       }\r
-       catch(exception& e) {\r
-               m->errorOut(e, "AlignCommand", "appendAlignFiles");\r
-               exit(1);\r
-       }\r
-}\r
-//**********************************************************************************************************************\r
-\r
-void AlignCommand::appendReportFiles(string temp, string filename) {\r
-       try{\r
-               \r
-               ofstream output;\r
-               ifstream input;\r
-               openOutputFileAppend(filename, output);\r
-               openInputFile(temp, input);\r
-\r
-               while (!input.eof())    {       char c = input.get(); if (c == 10 || c == 13){  break;  }       } // get header line\r
-                               \r
-               while(char c = input.get()){\r
-                       if(input.eof())         {       break;                  }\r
-                       else                            {       output << c;    }\r
-               }\r
-               \r
-               input.close();\r
-               output.close();\r
-       }\r
-       catch(exception& e) {\r
-               m->errorOut(e, "AlignCommand", "appendReportFiles");\r
-               exit(1);\r
-       }\r
-}\r
-//**********************************************************************************************************************\r
+/*
+ *  aligncommand.cpp
+ *  Mothur
+ *
+ *  Created by Sarah Westcott on 5/15/09.
+ *  Copyright 2009 Schloss Lab UMASS Amherst. All rights reserved.
+ *
+ *     This version of nast does everything I think that the greengenes nast server does and then some.  I have added the 
+ *     feature of allowing users to define their database, kmer size for searching, alignment penalty values and alignment 
+ *     method.  This latter feature is perhaps most significant.  nastPlus enables a user to use either a Needleman-Wunsch 
+ *     (non-affine gap penalty) or Gotoh (affine gap penalty) pairwise alignment algorithm.  This is significant because it
+ *     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).
+ *
+ */
+
+#include "aligncommand.h"
+#include "sequence.hpp"
+
+#include "gotohoverlap.hpp"
+#include "needlemanoverlap.hpp"
+#include "blastalign.hpp"
+#include "noalign.hpp"
+
+#include "nast.hpp"
+#include "nastreport.hpp"
+
+
+//**********************************************************************************************************************
+
+AlignCommand::AlignCommand(string option)  {
+       try {
+               
+               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;
+                       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;  }
+                       }
+
+                       //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 = 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 { 
+                               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++) {
+                                       if (inputDir != "") {
+                                               string path = 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;
+                                       
+                                       #ifdef USE_MPI  
+                                               int pid;
+                                               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
+                               
+                                               if (pid == 0) {
+                                       #endif
+
+                                       ableToOpen = openInputFile(candidateFileNames[i], in);
+                                       in.close();
+                                       
+                                       #ifdef USE_MPI  
+                                                       for (int j = 1; j < processors; j++) {
+                                                               MPI_Send(&ableToOpen, 1, MPI_INT, j, 2001, MPI_COMM_WORLD); 
+                                                       }
+                                               }else{
+                                                       MPI_Status status;
+                                                       MPI_Recv(&ableToOpen, 1, MPI_INT, 0, 2001, MPI_COMM_WORLD, &status);
+                                               }
+                                               
+                                       #endif
+
+                                       if (ableToOpen == 1) { 
+                                               m->mothurOut(candidateFileNames[i] + " 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 = 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";    }
+               }
+               
+       }
+       catch(exception& e) {
+               m->errorOut(e, "AlignCommand", "AlignCommand");
+               exit(1);
+       }
+}
+
+//**********************************************************************************************************************
+
+AlignCommand::~AlignCommand(){ 
+
+       if (abort == false) {
+               for (int i = 0; i < lines.size(); i++) {  delete lines[i];  }  lines.clear();
+               delete templateDB;
+               delete alignment;
+       }
+}
+
+//**********************************************************************************************************************
+
+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 and gapextend.\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 {
+               if (abort == true) {    return 0;       }
+
+               templateDB = new AlignmentDB(templateFileName, search, kmerSize, gapOpen, gapExtend, match, misMatch);
+               int longestBase = templateDB->getLongestBase();
+               
+               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);
+               }
+               vector<string> outputNames;
+               
+               for (int s = 0; s < candidateFileNames.size(); s++) {
+                       if (m->control_pressed) { return 0; }
+                       
+                       m->mothurOut("Aligning sequences from " + candidateFileNames[s] + " ..." ); m->mothurOutEndLine();
+                       
+                       if (outputDir == "") {  outputDir += hasPath(candidateFileNames[s]); }
+                       string alignFileName = outputDir + getRootName(getSimpleName(candidateFileNames[s])) + "align";
+                       string reportFileName = outputDir + getRootName(getSimpleName(candidateFileNames[s])) + "align.report";
+                       string accnosFileName = outputDir + getRootName(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, end, numSeqsPerProcessor; 
+                               int tag = 2001;
+                               vector<long> 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 = new char[alignFileName.length()];
+                               //memcpy(outAlignFilename, alignFileName.c_str(), alignFileName.length());
+                               
+                               char outAlignFilename[1024];
+                               strcpy(outAlignFilename, alignFileName.c_str());
+
+                               //char* outReportFilename = new char[reportFileName.length()];
+                               //memcpy(outReportFilename, reportFileName.c_str(), reportFileName.length());
+                               
+                               char outReportFilename[1024];
+                               strcpy(outReportFilename, reportFileName.c_str());
+
+                               //char* outAccnosFilename = new char[accnosFileName.length()];
+                               //memcpy(outAccnosFilename, accnosFileName.c_str(), accnosFileName.length());
+                               
+                               char outAccnosFilename[1024];
+                               strcpy(outAccnosFilename, accnosFileName.c_str());
+
+                               //char* inFileName = new char[candidateFileNames[s].length()];
+                               //memcpy(inFileName, candidateFileNames[s].c_str(), candidateFileNames[s].length());
+                               
+                               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); return 0; }
+                               
+                               if (pid == 0) { //you are the root process 
+                                       
+                                       MPIPos = 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); 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); 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
+                       
+       #if defined (__APPLE__) || (__MACH__) || (linux) || (__linux)
+                       if(processors == 1){
+                               ifstream inFASTA;
+                               openInputFile(candidateFileNames[s], inFASTA);
+                               numFastaSeqs=count(istreambuf_iterator<char>(inFASTA),istreambuf_iterator<char>(), '>');
+                               inFASTA.close();
+                               
+                               lines.push_back(new linePair(0, 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()); 
+                                       return 0; 
+                               }
+                               
+                               //delete accnos file if its blank else report to user
+                               if (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{
+                               vector<int> positions;
+                               processIDS.resize(0);
+                               
+                               ifstream inFASTA;
+                               openInputFile(candidateFileNames[s], inFASTA);
+                               
+                               string input;
+                               while(!inFASTA.eof()){
+                                       input = getline(inFASTA);
+                                       if (input.length() != 0) {
+                                               if(input[0] == '>'){    long int pos = inFASTA.tellg(); positions.push_back(pos - input.length() - 1);  }
+                                       }
+                               }
+                               inFASTA.close();
+                               
+                               numFastaSeqs = positions.size();
+                               
+                               int numSeqsPerProcessor = numFastaSeqs / processors;
+                               
+                               for (int i = 0; i < processors; i++) {
+                                       long int startPos = positions[ i * numSeqsPerProcessor ];
+                                       if(i == processors - 1){
+                                               numSeqsPerProcessor = numFastaSeqs - i * numSeqsPerProcessor;
+                                       }
+                                       lines.push_back(new linePair(startPos, numSeqsPerProcessor));
+                               }
+                               
+                               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 (!(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()); 
+                                       return 0; 
+                               }
+                       }
+       #else
+                       ifstream inFASTA;
+                       openInputFile(candidateFileNames[s], inFASTA);
+                       numFastaSeqs=count(istreambuf_iterator<char>(inFASTA),istreambuf_iterator<char>(), '>');
+                       inFASTA.close();
+                       
+                       lines.push_back(new linePair(0, 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()); 
+                               return 0; 
+                       }
+                       
+                       //delete accnos file if its blank else report to user
+                       if (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);
+                       outputNames.push_back(reportFileName);
+                       if (hasAccnos)  {       outputNames.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* line, string alignFName, string reportFName, string accnosFName, string filename){
+       try {
+               ofstream alignmentFile;
+               openOutputFile(alignFName, alignmentFile);
+               
+               ofstream accnosFile;
+               openOutputFile(accnosFName, accnosFile);
+               
+               NastReport report(reportFName);
+               
+               ifstream inFASTA;
+               openInputFile(filename, inFASTA);
+
+               inFASTA.seekg(line->start);
+       
+               for(int i=0;i<line->numSeqs;i++){
+                       
+                       if (m->control_pressed) {  return 0; }
+                       
+                       Sequence* candidateSeq = new Sequence(inFASTA);  gobble(inFASTA);
+       
+                       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;
+                                               }else{  
+                                                       wasBetter = "\treverse complement did NOT produce a better alignment, please check sequence.";
+                                                       delete nast2;
+                                                       delete copy;    
+                                               }
+                                       }
+                                       
+                                       //create accnos file with names
+                                       accnosFile << candidateSeq->getName() << wasBetter << endl;
+                               }
+                               
+                               report.setCandidate(candidateSeq);
+                               report.setTemplate(templateSeq);
+                               report.setSearchParameters(search, searchScore);
+                               report.setAlignmentParameters(align, alignment);
+                               report.setNastParameters(*nast);
+       
+                               alignmentFile << '>' << candidateSeq->getName() << '\n' << candidateSeq->getAligned() << endl;
+                               
+                               report.print();
+                               delete nast;
+                               if (needToDeleteCopy) {   delete copy;   }
+                       }
+                       delete candidateSeq;
+                       
+                       //report progress
+                       if((i+1) % 100 == 0){   m->mothurOut(toString(i+1)); m->mothurOutEndLine();             }
+               }
+               //report progress
+               if((line->numSeqs) % 100 != 0){ m->mothurOut(toString(line->numSeqs)); m->mothurOutEndLine();           }
+               
+               alignmentFile.close();
+               inFASTA.close();
+               accnosFile.close();
+               
+               return 1;
+       }
+       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<long>& 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);
+
+            delete buf;
+               }
+               
+               for(int i=0;i<num;i++){
+               
+                       if (m->control_pressed) {  return 0; }
+
+                       //read next sequence
+                       int length = MPIPos[start+i+1] - MPIPos[start+i];
+
+                       char* buf4 = new char[length];
+                       memcpy(buf4, outputString.c_str(), length);
+
+                       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);  
+                       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;
+                                               }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);
+                               
+                                       MPI_File_write_shared(accnosFile, buf, length, MPI_CHAR, &statusAccnos);
+                                       delete buf;
+                                       MPIWroteAccnos = true;
+                               }
+                               
+                               report.setCandidate(candidateSeq);
+                               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;
+
+                               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
+/**************************************************************************************************/
+
+int AlignCommand::createProcesses(string alignFileName, string reportFileName, string accnosFName, string filename) {
+       try {
+#if defined (__APPLE__) || (__MACH__) || (linux) || (__linux)
+               int process = 0;
+               int exitCommand = 1;
+               //              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){
+                               exitCommand = driver(lines[process], alignFileName + toString(getpid()) + ".temp", reportFileName + toString(getpid()) + ".temp", accnosFName + toString(getpid()) + ".temp", filename);
+                               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 (int i=0;i<processors;i++) { 
+                       int temp = processIDS[i];
+                       wait(&temp);
+               }
+               
+               return exitCommand;
+#endif         
+       }
+       catch(exception& e) {
+               m->errorOut(e, "AlignCommand", "createProcesses");
+               exit(1);
+       }
+}
+
+/**************************************************************************************************/
+
+void AlignCommand::appendAlignFiles(string temp, string filename) {
+       try{
+               
+               ofstream output;
+               ifstream input;
+               openOutputFileAppend(filename, output);
+               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;
+               openOutputFileAppend(filename, output);
+               openInputFile(temp, input);
+
+               while (!input.eof())    {       char c = input.get(); if (c == 10 || c == 13){  break;  }       } // get header line
+                               
+               while(char c = input.get()){
+                       if(input.eof())         {       break;                  }
+                       else                            {       output << c;    }
+               }
+               
+               input.close();
+               output.close();
+       }
+       catch(exception& e) {
+               m->errorOut(e, "AlignCommand", "appendReportFiles");
+               exit(1);
+       }
+}
+//**********************************************************************************************************************
index 2c4f7fba4253c2cb4c2693bb3cb18e676c5d938b..5295eace3546e14db6488ceb41e144915531c830 100644 (file)
@@ -286,13 +286,13 @@ int ChimeraSlayer::getChimeras(Sequence* query) {
                //referenceSeqs, numWanted, matchScore, misMatchPenalty, divR, minSimilarity
                maligner = new Maligner(templateSeqs, numWanted, match, misMatch, divR, minSim, minCov, searchMethod, databaseLeft, databaseRight);
                slayer = new Slayer(window, increment, minSim, divR, iters, minSNP);
-               
+       
                if (m->control_pressed) {  return 0;  }
                
                string chimeraFlag = maligner->getResults(query, decalc);
                if (m->control_pressed) {  return 0;  }
                vector<results> Results = maligner->getOutput();
-                               
+                       
                //found in testing realigning only made things worse
                if (realign) {
                        ChimeraReAligner realigner(templateSeqs, match, misMatch);
index 857bcf2e09c5e20f1f6a03cc95be674898411e6e..f5aa8505a310314924f6d87b63603c65a6ff8367 100644 (file)
@@ -824,6 +824,8 @@ vector<Sequence*> DeCalculator::findClosest(Sequence* querySeq, vector<Sequence*
                        i++;
                }
 
+               if (numWanted > dists.size()) { m->mothurOut("numwanted is larger than the number of template sequences, adjusting numwanted."); m->mothurOutEndLine(); numWanted = dists.size(); }
+
 //cout << numWanted << endl;
                for (int i = 0; i < numWanted; i++) {
 //cout << dists[i].seq->getName() << '\t' << dists[i].dist << endl;
index 0c1aeebe43af3ca586bfd6416f95db924a047054..5c49a936e9293c629e05ea5565f334a43e5cc37c 100644 (file)
@@ -48,8 +48,8 @@ vector<int> DistanceDB::findClosestSequences(Sequence* query, int numWanted){
                bool templateSameLength = true;
                string sequence = query->getAligned();
                vector<seqDist> dists;
-               
-               if (numWanted > data.size()) { m->mothurOut("numwanted is larger than the number of template sequences, using 10."); m->mothurOutEndLine(); numWanted = 10; }
+       
+               if (numWanted > data.size()) { m->mothurOut("numwanted is larger than the number of template sequences, using "+ toString(data.size()) + "."); m->mothurOutEndLine(); numWanted = data.size(); }
                
                if (sequence.length() != templateSeqsLength) { templateSameLength = false; }
                
index 8c33659b9fe6e158a316cbae12a0dd829d9b57e2..3e831124a7cc7a026dcad63df44da4a0674d186b 100644 (file)
--- a/makefile
+++ b/makefile
@@ -463,7 +463,7 @@ mothur : \
                ./logsd.o\\r
                ./geom.o\\r
                ./setlogfilecommand.o\\r
-               -o mothur\r
+               -o ../Release/mothur\r
 \r
 clean : \r
                rm \\r
@@ -1708,7 +1708,7 @@ install : mothur
 ./classifyotucommand.o : classifyotucommand.cpp\r
        $(CC) $(CC_OPTIONS) classifyotucommand.cpp -c $(INCLUDE) -o ./classifyotucommand.o\r
 \r
-# Item # 209 -- splitmatrix --\r
+# Item # 209 -- weightedlinkage --\r
 ./weightedlinkage.o : weightedlinkage.cpp\r
        $(CC) $(CC_OPTIONS) weightedlinkage.cpp -c $(INCLUDE) -o ./weightedlinkage.o\r
 \r
index 49e370836bb2c9e2edd59e99d9835de8acfc5582..9979a7586f59f3827f96645439b1ae323ed8a733 100644 (file)
@@ -311,11 +311,15 @@ int ReadBlast::readNames(NameAssignment* nameMap) {
                ifstream in;
                openInputFile(blastfile, in);
                
+               ofstream outName;
+               openOutputFile("tempOutNames", outName);
+               
                //read first line
                in >> prevName;
+       
                for (int i = 0; i < 11; i++) {  in >> hold;  }
                gobble(in);
-               
+                               
                //save name in nameMap
                nameMap->push_back(prevName);
                
@@ -324,6 +328,7 @@ int ReadBlast::readNames(NameAssignment* nameMap) {
                        
                        //read line
                        in >> name;
+       
                        for (int i = 0; i < 11; i++) {  in >> hold;  }
                        gobble(in);
                        
index 51f44e217899c3acebc1a34879b31d6624389191..1df49b5502f405bf29b31ee585fb5d6a264f9cda 100644 (file)
@@ -296,6 +296,7 @@ int ReadNewickTree::readNewickInt(istream& f, int& n, Tree* T) {
 
                        int rc = readNewickInt(f, n, T);
                        if (rc == -1) { return -1; }  //reports an error in reading     
+                       
                        if(f.peek()==')'){      
                                readSpecialChar(f,')',"right parenthesis");     
                                //to pass over labels in trees
@@ -316,23 +317,52 @@ int ReadNewickTree::readNewickInt(istream& f, int& n, Tree* T) {
                        }                                               
                        
                        //to account for multifurcating trees generated by fasttree, we are forcing them to be bifurcating
-               /*      if(f.peek() == ','){
+                       while(f.peek() == ','){
                                
                                //force this node to be left child and read new rc
                                T->tree[n].setChildren(lc,rc);
                                T->tree[lc].setParent(n);
                                T->tree[rc].setParent(n);
                                
+                               T->printTree(); cout << endl;
+                               lc = n;
                                n++;
                                
+                               readSpecialChar(f,',',"comma");
 
-                       
-                       }*/
-                       
+                               int rc = readNewickInt(f, n, T);
+               cout << n << '\t' << lc << '\t' << rc << endl;
+                               if (rc == -1) { return -1; }  //reports an error in reading     
+                               
+                               if(f.peek()==')'){      
+                               string k;
+                               k = f.peek();
+               cout << "in here " << k << endl;
+                                       readSpecialChar(f,')',"right parenthesis");     
+                                       //to pass over labels in trees
+                                       c=filehandle.get();
+                                       while((c!=',') && (c != -1) && (c!= ':') && (c!=';')){ c=filehandle.get(); }
+                                       filehandle.putback(c);
+                                       
+                                       if(f.peek() == ':'){                                                                          
+                                       readSpecialChar(f,':',"colon"); 
+                                       
+                                       if(n >= numNodes){      m->mothurOut("Error: Too many nodes in input tree\n");  readOk = -1; return -1; }
+                                       
+                                       T->tree[n].setBranchLength(readBranchLength(f));
+                                       }else{
+                                               T->tree[n].setBranchLength(0.0); 
+                                       }                                               
+
+                                       break;
+                               }                       
+                       }
+       cout << n << '\t' << lc << '\t' << rc << endl;          
                        T->tree[n].setChildren(lc,rc);
                        T->tree[lc].setParent(n);
                        T->tree[rc].setParent(n);
-               
+                       T->printTree();  cout << endl;
+                       
                        return n++;
                }else{
                        f.putback(c);
@@ -342,7 +372,7 @@ int ReadNewickTree::readNewickInt(istream& f, int& n, Tree* T) {
                                name += d;
                                d=f.get();
                        }
-               
+               cout << name << endl;
                        int blen = 0;
                        if(d == ':')    {               blen = 1;       }               
                
index c00ade00e81dda033d6043dea643d95dda0b821a..0131f59c340ef30eeeeb56ed2a96fc2dc258b808 100644 (file)
@@ -61,9 +61,9 @@ int Node::getIndex() { return vectorIndex; }
 //to be used by printTree in the Tree class to print the leaf info                     
 void Node::printNode() {
        try{
-               m->mothurOut(toString(parent) + " " + toString(lchild) + " " + toString(rchild) + " ");
+               m->mothurOut(name + " " + toString(parent) + " " + toString(lchild) + " " + toString(rchild) + " ");
                
-               for (int i = 0; i < group.size(); i++) {  m->mothurOut( group[i] + " "); }
+               /*for (int i = 0; i < group.size(); i++) {  m->mothurOut( group[i] + " "); }
                
                //there is a branch length
                if (branchLength != -1) { 
@@ -78,7 +78,7 @@ void Node::printNode() {
                m->mothurOut(" |");
                for(it=pcount.begin();it!=pcount.end();it++){
                        m->mothurOut(" " + it->first + ":" + toString(it->second));
-               }
+               }*/
                m->mothurOutEndLine();