]> git.donarmstrong.com Git - mothur.git/blobdiff - pcacommand.cpp
working on pca
[mothur.git] / pcacommand.cpp
index c982d7563c8f26066924eeab070f5fd16a5b30e5..23c066b7beff9dd0d6c1da089221a07e510411ae 100644 (file)
@@ -1,27 +1,77 @@
-
 /*
  *  pcacommand.cpp
- *  Mothur
+ *  mothur
  *
- *  Created by westcott on 1/4/10.
- *  Copyright 2010 Schloss Lab. All rights reserved.
+ *  Created by westcott on 1/7/11.
+ *  Copyright 2011 Schloss Lab. All rights reserved.
  *
  */
 
 #include "pcacommand.h"
+#include "inputdata.h"
 
+//**********************************************************************************************************************
+vector<string> PCACommand::getValidParameters(){       
+       try {
+               string Array[] =  {"label", "groups","metric","outputdir","inputdir"};
+               vector<string> myArray (Array, Array+(sizeof(Array)/sizeof(string)));
+               return myArray;
+       }
+       catch(exception& e) {
+               m->errorOut(e, "PCACommand", "getValidParameters");
+               exit(1);
+       }
+}
+//**********************************************************************************************************************
+PCACommand::PCACommand(){      
+       try {
+               abort = true; calledHelp = true; 
+               vector<string> tempOutNames;
+               outputTypes["pca"] = tempOutNames;
+               outputTypes["loadings"] = tempOutNames;
+       }
+       catch(exception& e) {
+               m->errorOut(e, "PCACommand", "PCACommand");
+               exit(1);
+       }
+}
+//**********************************************************************************************************************
+vector<string> PCACommand::getRequiredParameters(){    
+       try {
+               vector<string> myArray;
+               return myArray;
+       }
+       catch(exception& e) {
+               m->errorOut(e, "PCACommand", "getRequiredParameters");
+               exit(1);
+       }
+}
+//**********************************************************************************************************************
+vector<string> PCACommand::getRequiredFiles(){ 
+       try {
+               string Array[] =  {"shared","relabund","or"};
+               vector<string> myArray (Array, Array+(sizeof(Array)/sizeof(string)));
+               return myArray;
+       }
+       catch(exception& e) {
+               m->errorOut(e, "PCACommand", "getRequiredFiles");
+               exit(1);
+       }
+}
 //**********************************************************************************************************************
 
 PCACommand::PCACommand(string option)  {
        try {
-               abort = false;
+               abort = false; calledHelp = false;   
+               
+               globaldata = GlobalData::getInstance();
                
                //allow user to run help
-               if(option == "help") { help(); abort = true; }
+               if(option == "help") { help(); abort = true; calledHelp = true; }
                
                else {
                        //valid paramters for this command
-                       string Array[] =  {"phylip","outputdir", "inputdir"};
+                       string Array[] =  {"label","groups","metric","outputdir", "inputdir"};
                        vector<string> myArray (Array, Array+(sizeof(Array)/sizeof(string)));
                        
                        OptionParser parser(option);
@@ -29,41 +79,47 @@ PCACommand::PCACommand(string option)  {
                        
                        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 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("phylip");
-                               //user has given a template file
-                               if(it != parameters.end()){ 
-                                       path = m->hasPath(it->second);
-                                       //if the user has not given a path then, add inputdir. else leave path alone.
-                                       if (path == "") {       parameters["phylip"] = inputDir + it->second;           }
-                               }
+                       string inputDir = validParameter.validFile(parameters, "inputdir", false);              if (inputDir == "not found"){   inputDir = "";          }
+                       
+                       //initialize outputTypes
+                       vector<string> tempOutNames;
+                       outputTypes["pca"] = tempOutNames;
+                       outputTypes["loadings"] = tempOutNames;
+                       
+                       //make sure the user has already run the read.otu command
+                       if ((globaldata->getSharedFile() == "") && (globaldata->getRelAbundFile() == "")) {
+                               m->mothurOut("You must read a list and a group, shared or relabund file before you can use the pca command."); m->mothurOutEndLine(); abort = true; 
                        }
-
-                       //required parameters
-                       phylipfile = validParameter.validFile(parameters, "phylip", true);
-                       if (phylipfile == "not open") { abort = true; }
-                       else if (phylipfile == "not found") { phylipfile = ""; abort = true; }  
-                       else {  filename = phylipfile;  }
+                       
+                       if (globaldata->getSharedFile() != "")          { mode = "shared"; inputFile = globaldata->getSharedFile();             }
+                       if (globaldata->getRelAbundFile() != "")        { mode = "relabund"; inputFile = globaldata->getRelAbundFile(); }
                        
                        //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 = ""; 
-                               outputDir += m->hasPath(phylipfile); //if user entered a file with a path then preserve it      
+                               outputDir += m->hasPath(inputFile); //if user entered a file with a path then preserve it       
                        }
+                                               
+                       string temp = validParameter.validFile(parameters, "metric", false);    if (temp == "not found"){       temp = "T";                             }
+                       metric = m->isTrue(temp); 
+                       
+                       label = validParameter.validFile(parameters, "label", false);                   
+                       if (label == "not found") { label = ""; labels = globaldata->labels; if(labels.size() == 0) {  m->mothurOut("You did not provide a label, I will use the first label in your inputfile."); m->mothurOutEndLine(); } }
+                       else { m->splitAtDash(label, labels); }
+                       
+                       groups = validParameter.validFile(parameters, "groups", false);                 
+                       if (groups == "not found") { groups = "";  }
+                       else { m->splitAtDash(groups, Groups);  }                       
+                       globaldata->Groups = Groups;                    
                        
-                       //error checking on files       
-                       if (phylipfile == "")   { m->mothurOut("You must provide a distance file before running the pca command."); m->mothurOutEndLine(); abort = true; }              
                }
-
+               
        }
        catch(exception& e) {
                m->errorOut(e, "PCACommand", "PCACommand");
@@ -73,8 +129,14 @@ PCACommand::PCACommand(string option)  {
 //**********************************************************************************************************************
 void PCACommand::help(){
        try {
-       
-               m->mothurOut("The pca command..."); m->mothurOutEndLine();
+               m->mothurOut("The pca command can only be run after a successful read.otu command of a shared or relabund file."); m->mothurOutEndLine();
+               m->mothurOut("The pca command parameters are label, groups and metric. No parameters are required."); m->mothurOutEndLine();
+               m->mothurOut("The label parameter is used to analyze specific labels in your input. Default is the first label in your shared or relabund file. Multiple labels may be separated by dashes.\n");
+               m->mothurOut("The groups parameter allows you to specify which groups you would like analyzed. Groupnames are separated by dashes.\n");
+               m->mothurOut("The metric parameter allows indicate you if would like the pearson correlation coefficient calculated. Default=True"); m->mothurOutEndLine();
+               m->mothurOut("Example pca(groups=yourGroups).\n");
+               m->mothurOut("Example pca(groups=A-B-C).\n");
+               m->mothurOut("Note: No spaces between parameter labels (i.e. groups), '=' and parameters (i.e.yourGroups).\n\n");
        }
        catch(exception& e) {
                m->errorOut(e, "PCACommand", "help");
@@ -86,43 +148,99 @@ PCACommand::~PCACommand(){}
 //**********************************************************************************************************************
 int PCACommand::execute(){
        try {
-       
-               if (abort == true) { return 0; }
+               
+               if (abort == true) { if (calledHelp) { return 0; }  return 2;   }
                
                cout.setf(ios::fixed, ios::floatfield);
                cout.setf(ios::showpoint);
                cerr.setf(ios::fixed, ios::floatfield);
                cerr.setf(ios::showpoint);
                
-               vector<string> names;
-               vector<vector<double> > D;
-       
-               fbase = outputDir + m->getRootName(m->getSimpleName(filename));
+               //get first line of shared file
+               vector< vector<double> > matrix;
+               InputData* input;
+               if (mode == "shared")                   {  
+                       input = new InputData(inputFile, "sharedfile");
+               }else if (mode == "relabund")   { 
+                       input = new InputData(inputFile, "relabund");
+               }else {  m->mothurOut("[ERROR]: filetype not recognized."); m->mothurOutEndLine();  return 0; }
+               
+               vector<SharedRAbundFloatVector*> lookupFloat = input->getSharedRAbundFloatVectors();
+               string lastLabel = lookupFloat[0]->getLabel();
+                       
+               set<string> processedLabels;
+               set<string> userLabels = labels;
+               
+               //if the user gave no labels, then use the first one read
+               if (labels.size() == 0) { 
+                       label = lastLabel;  
+                       
+                       process(lookupFloat);
+               }
                
-               read(filename, names, D);
+               //as long as you are not at the end of the file or done wih the lines you want
+               while((lookupFloat[0] != NULL) && (userLabels.size() != 0)) {
+                       
+                       if (m->control_pressed) {  for (int i = 0; i < outputNames.size(); i++) {       remove(outputNames[i].c_str());  } delete input; for (int i = 0; i < lookupFloat.size(); i++) {  delete lookupFloat[i];  }  lookupFloat.clear(); return 0;  }
+                       
+                       if(labels.count(lookupFloat[0]->getLabel()) == 1){
+                               processedLabels.insert(lookupFloat[0]->getLabel());
+                               userLabels.erase(lookupFloat[0]->getLabel());
+                               
+                               process(lookupFloat);
+                       }
+                       
+                       if ((m->anyLabelsToProcess(lookupFloat[0]->getLabel(), userLabels, "") == true) && (processedLabels.count(lastLabel) != 1)) {
+                               string saveLabel = lookupFloat[0]->getLabel();
+                               
+                               for (int i = 0; i < lookupFloat.size(); i++) {  delete lookupFloat[i];  }  lookupFloat.clear();
+                               lookupFloat = input->getSharedRAbundFloatVectors(lastLabel);
+                               
+                               process(lookupFloat);
+                               
+                               processedLabels.insert(lookupFloat[0]->getLabel());
+                               userLabels.erase(lookupFloat[0]->getLabel());
+                               
+                               //restore real lastlabel to save below
+                               lookupFloat[0]->setLabel(saveLabel);
+                       }
+                       
+                       lastLabel = lookupFloat[0]->getLabel();                 
+                       
+                       //get next line to process
+                       //prevent memory leak
+                       for (int i = 0; i < lookupFloat.size(); i++) {  delete lookupFloat[i];  } lookupFloat.clear();
+                       lookupFloat = input->getSharedRAbundFloatVectors();
+               }
                
-               if (m->control_pressed) { return 0; }
-       
-               double offset = 0.0000;
-               vector<double> d;
-               vector<double> e;
-               vector<vector<double> > G = D;
-               vector<vector<double> > copy_G;
-               //int rank = D.size();
                
-               m->mothurOut("\nProcessing...\n");
+               if (m->control_pressed) { for (int i = 0; i < outputNames.size(); i++) {        remove(outputNames[i].c_str());  } delete input; for (int i = 0; i < lookupFloat.size(); i++) {  delete lookupFloat[i];  } lookupFloat.clear(); return 0;  }
                
-               for(int count=0;count<2;count++){
-                       recenter(offset, D, G);         if (m->control_pressed) { return 0; }
-                       tred2(G, d, e);                         if (m->control_pressed) { return 0; }
-                       qtli(d, e, G);                          if (m->control_pressed) { return 0; }
-                       offset = d[d.size()-1];
-                       if(offset > 0.0) break;
-               } 
+               //output error messages about any remaining user labels
+               set<string>::iterator it;
+               bool needToRun = false;
+               for (it = userLabels.begin(); it != userLabels.end(); it++) {  
+                       m->mothurOut("Your file does not include the label " + *it); 
+                       if (processedLabels.count(lastLabel) != 1) {
+                               m->mothurOut(". I will use " + lastLabel + "."); m->mothurOutEndLine();
+                               needToRun = true;
+                       }else {
+                               m->mothurOut(". Please refer to " + lastLabel + "."); m->mothurOutEndLine();
+                       }
+               }
                
-               if (m->control_pressed) { return 0; }
+               //run last label if you need to
+               if (needToRun == true)  {
+                       for (int i = 0; i < lookupFloat.size(); i++) {  if (lookupFloat[i] != NULL) {   delete lookupFloat[i];  } }  lookupFloat.clear();
+                       lookupFloat = input->getSharedRAbundFloatVectors(lastLabel);
+                       
+                       process(lookupFloat);
+                       
+                       for (int i = 0; i < lookupFloat.size(); i++) {  if (lookupFloat[i] != NULL) {   delete lookupFloat[i];  } } lookupFloat.clear();
+               }       
                
-               output(fbase, names, G, d);
+               for (int i = 0; i < lookupFloat.size(); i++) {  if (lookupFloat[i] != NULL) {   delete lookupFloat[i];  } } lookupFloat.clear();
+               delete input;
                
                if (m->control_pressed) { for (int i = 0; i < outputNames.size(); i++) {        remove(outputNames[i].c_str());  } return 0; }
                
@@ -138,369 +256,124 @@ int PCACommand::execute(){
                exit(1);
        }
 }
-/*********************************************************************************************************************************/
-
-inline double SIGN(const double a, const double b)
-{
-    return b>=0 ? (a>=0 ? a:-a) : (a>=0 ? -a:a);
-}
-
-/*********************************************************************************************************************************/
-
-void PCACommand::get_comment(istream& f, char begin, char end){
+/**********************************************************************************************************************
+vector< vector<double> > PCACommand::createMatrix(vector<SharedRAbundFloatVector*> lookupFloat){
        try {
-               char d=f.get();
-               while(d != end){        d = f.get();    }
-               d = f.peek();
-       }
-       catch(exception& e) {
-               m->errorOut(e, "PCACommand", "get_comment");
-               exit(1);
-       }
-}      
-
-/*********************************************************************************************************************************/
-
-int PCACommand::read_phylip(istream& f, int square_m, vector<string>& name_list, vector<vector<double> >& d){
-       try {
-               //     int count1=0;
-               //     int count2=0;
-               
-               int rank;
-               f >> rank;
-               
-               name_list.resize(rank);
-               d.resize(rank);
-               if(square_m == 1){
-                       for(int i=0;i<rank;i++)
-                               d[i].resize(rank);
-                       for(int i=0;i<rank;i++) {
-                               f >> name_list[i];
-                               //                      cout << i << "\t" << name_list[i] << endl;
-                               for(int j=0;j<rank;j++) {
-                                       if (m->control_pressed) { return 0; }
-                                       
-                                       f >> d[i][j];
-                                       if (d[i][j] == -0.0000)
-                                               d[i][j] = 0.0000;
-                               }
+               vector< vector<double> > matrix; matrix.resize(lookupFloat.size());
+               
+               //fill matrix with shared files relative abundances
+               for (int i = 0; i < lookupFloat.size(); i++) {
+                       for (int j = 0; j < lookupFloat[i]->getNumBins(); j++) {
+                               matrix[i].push_back(lookupFloat[i]->getAbundance(j));
                        }
                }
-               else if(square_m == 2){
-                       for(int i=0;i<rank;i++){
-                               d[i].resize(rank);
-                       }
-                       d[0][0] = 0.0000;
-                       f >> name_list[0];
-                       for(int i=1;i<rank;i++){
-                               f >> name_list[i];
-                               d[i][i]=0.0000;
-                               for(int j=0;j<i;j++){
-                                       if (m->control_pressed) { return 0; }
-                                       f >> d[i][j];
-                                       if (d[i][j] == -0.0000)
-                                               d[i][j] = 0.0000;
-                                       d[j][i]=d[i][j];
-                               }
+               
+               vector< vector<double> > transposeMatrix; transposeMatrix.resize(matrix[0].size());
+               for (int i = 0; i < transposeMatrix.size(); i++) {
+                       for (int j = 0; j < matrix.size(); j++) {
+                               transposeMatrix[i].push_back(matrix[j][i]);
                        }
                }
                
-               return 0;
+               matrix = linearCalc.matrix_mult(matrix, transposeMatrix);
+               
+               return matrix;
        }
        catch(exception& e) {
-               m->errorOut(e, "PCACommand", "read_phylip");
+               m->errorOut(e, "PCACommand", "createMatrix");   
                exit(1);
        }
-
-}
-
-/*********************************************************************************************************************************/
-
-void PCACommand::read(string fname, vector<string>& names, vector<vector<double> >& D){
+}*/
+//**********************************************************************************************************************
+int PCACommand::process(vector<SharedRAbundFloatVector*>& lookupFloat){
        try {
-               ifstream f;
-               m->openInputFile(fname, f);
-                       
-               //check whether matrix is square
-               char d;
-               int q = 1;
-               int numSeqs;
-               string name;
+               m->mothurOut("\nProcessing " + lookupFloat[0]->getLabel()); m->mothurOutEndLine();
                
-               f >> numSeqs >> name; 
+               vector< vector<double> > matrix; matrix.resize(lookupFloat.size());
                
-               while((d=f.get()) != EOF){
-                       
-                       //is d a number meaning its square
-                       if(isalnum(d)){ 
-                               q = 1; 
-                               break; 
-                       }
-                       
-                       //is d a line return meaning its lower triangle
-                       if(d == '\n'){
-                               q = 2;
-                               break;
-                       }
-               }
-               f.close();
+               ofstream out;
+               string temp = outputDir + "matrix.transpose.out";
+               m->openOutputFile(temp, out);
+               out << "matrix" << endl;
                
-               //reopen to get back to beginning
-               m->openInputFile(fname, f);                     
-               read_phylip(f, q, names, D);
-       }
-               catch(exception& e) {
-               m->errorOut(e, "PCACommand", "read");
-               exit(1);
-       }
-}
-
-/*********************************************************************************************************************************/
-
-double PCACommand::pythag(double a, double b)  {       return(pow(a*a+b*b,0.5));       }
-
-/*********************************************************************************************************************************/
-
-void PCACommand::matrix_mult(vector<vector<double> > first, vector<vector<double> > second, vector<vector<double> >& product){
-       try {
-               int first_rows = first.size();
-               int first_cols = first[0].size();
-               int second_cols = second[0].size();
-               
-               product.resize(first_rows);
-               for(int i=0;i<first_rows;i++){
-                       product[i].resize(second_cols);
-               }
-               
-               for(int i=0;i<first_rows;i++){
-                       for(int j=0;j<second_cols;j++){
-                               product[i][j] = 0.0;
-                               for(int k=0;k<first_cols;k++){
-                                       product[i][j] += first[i][k] * second[k][j];
-                               }
+               //fill matrix with shared files relative abundances
+               for (int i = 0; i < lookupFloat.size(); i++) {
+                       for (int j = 0; j < lookupFloat[i]->getNumBins(); j++) {
+                               matrix[i].push_back(lookupFloat[i]->getAbundance(j));
+                               out << lookupFloat[i]->getAbundance(j) << '\t';
                        }
+                       out << endl;
                }
-       }
-       catch(exception& e) {
-               m->errorOut(e, "PCACommand", "matrix_mult");
-               exit(1);
-       }
-
-}
-
-/*********************************************************************************************************************************/
-
-void PCACommand::recenter(double offset, vector<vector<double> > D, vector<vector<double> >& G){
-       try {
-               int rank = D.size();
-               
-               vector<vector<double> > A(rank);
-               vector<vector<double> > C(rank);
-               for(int i=0;i<rank;i++){
-                       A[i].resize(rank);
-                       C[i].resize(rank);
+               out << endl << endl << "transpose" << endl;
+               vector< vector<double> > transposeMatrix; transposeMatrix.resize(matrix[0].size());
+               for (int i = 0; i < transposeMatrix.size(); i++) {
+                       for (int j = 0; j < matrix.size(); j++) {
+                               transposeMatrix[i].push_back(matrix[j][i]);
+                               out << matrix[j][i] << '\t';
+                       }
+                       out << endl;
                }
                
-               double scale = -1.0000 / (double) rank;
+               matrix = linearCalc.matrix_mult(matrix, transposeMatrix);       
                
-               for(int i=0;i<rank;i++){
-                       A[i][i] = 0.0000;
-                       C[i][i] = 1.0000 + scale;
-                       for(int j=i+1;j<rank;j++){
-                               A[i][j] = A[j][i] = -0.5 * D[i][j] * D[i][j] + offset;
-                               C[i][j] = C[j][i] = scale;
+               out << endl << endl << "matrix mult" << endl;
+               for (int i = 0; i < matrix.size(); i++) {
+                       for (int j = 0; j < matrix[i].size(); j++) {
+                               out << matrix[i][j] << '\t';
                        }
+                   out << endl;
                }
+               out.close();
+                       
                
-               matrix_mult(C,A,A);
-               matrix_mult(A,C,G);
-       }
-       catch(exception& e) {
-               m->errorOut(e, "PCACommand", "recenter");
-               exit(1);
-       }
-
-}
-
-/*********************************************************************************************************************************/
-
-//  This function is taken from Numerical Recipes in C++ by Press et al., 2nd edition, pg. 479
-
-void PCACommand::tred2(vector<vector<double> >& a, vector<double>& d, vector<double>& e){
-       try {
-               double scale, hh, h, g, f;
-               
-               int n = a.size();
-               
-               d.resize(n);
-               e.resize(n);
-               
-               for(int i=n-1;i>0;i--){
-                       int l=i-1;
-                       h = scale = 0.0000;
-                       if(l>0){
-                               for(int k=0;k<l+1;k++){
-                                       scale += fabs(a[i][k]);
-                               }
-                               if(scale == 0.0){
-                                       e[i] = a[i][l];
-                               }
-                               else{
-                                       for(int k=0;k<l+1;k++){
-                                               a[i][k] /= scale;
-                                               h += a[i][k] * a[i][k];
-                                       }
-                                       f = a[i][l];
-                                       g = (f >= 0.0 ? -sqrt(h) : sqrt(h));
-                                       e[i] = scale * g;
-                                       h -= f * g;
-                                       a[i][l] = f - g;
-                                       f = 0.0;
-                                       for(int j=0;j<l+1;j++){
-                                               a[j][i] = a[i][j] / h;
-                                               g = 0.0;
-                                               for(int k=0;k<j+1;k++){
-                                                       g += a[j][k] * a[i][k];
-                                               }
-                                               for(int k=j+1;k<l+1;k++){
-                                                       g += a[k][j] * a[i][k];
-                                               }
-                                               e[j] = g / h;
-                                               f += e[j] * a[i][j];
-                                       }
-                                       hh = f / (h + h);
-                                       for(int j=0;j<l+1;j++){
-                                               f = a[i][j];
-                                               e[j] = g = e[j] - hh * f;
-                                               for(int k=0;k<j+1;k++){
-                                                       a[j][k] -= (f * e[k] + g * a[i][k]);
-                                               }
-                                       }
-                               }
-                       }
-                       else{
-                               e[i] = a[i][l];
-                       }
+               double offset = 0.0000;
+               vector<double> d;
+               vector<double> e;
+               vector<vector<double> > G = matrix;
+               //vector<vector<double> > copy_G;
                        
-                       d[i] = h;
-               }
+               for(int count=0;count<2;count++){
+                       linearCalc.recenter(offset, matrix, G);         if (m->control_pressed) { return 0; }
+                       linearCalc.tred2(G, d, e);                                      if (m->control_pressed) { return 0; }
+                       linearCalc.qtli(d, e, G);                                       if (m->control_pressed) { return 0; }
+                       offset = d[d.size()-1];
+                       if(offset > 0.0) break;
+               } 
                
-               d[0] = 0.0000;
-               e[0] = 0.0000;
-               
-               for(int i=0;i<n;i++){
-                       int l = i;
-                       if(d[i] != 0.0){
-                               for(int j=0;j<l;j++){
-                                       g = 0.0000;
-                                       for(int k=0;k<l;k++){
-                                               g += a[i][k] * a[k][j];
-                                       }
-                                       for(int k=0;k<l;k++){
-                                               a[k][j] -= g * a[k][i];
-                                       }
-                               }
-                       }
-                       d[i] = a[i][i];
-                       a[i][i] = 1.0000;
-                       for(int j=0;j<l;j++){
-                               a[j][i] = a[i][j] = 0.0;
-                       }
-               }
-       }
-       catch(exception& e) {
-               m->errorOut(e, "PCACommand", "tred2");
-               exit(1);
-       }
-
-}
-
-/*********************************************************************************************************************************/
-
-//  This function is taken from Numerical Recipes in C++ by Press et al., 2nd edition, pg. 479
-
-void PCACommand::qtli(vector<double>& d, vector<double>& e, vector<vector<double> >& z) {
-       try {
-               int m, i, iter;
-               double s, r, p, g, f, dd, c, b;
+               if (m->control_pressed) { return 0; }
                
-               int n = d.size();
-               for(int i=1;i<=n;i++){
-                       e[i-1] = e[i];
-               }
-               e[n-1] = 0.0000;
-               
-               for(int l=0;l<n;l++){
-                       iter = 0;
-                       do {
-                               for(m=l;m<n-1;m++){
-                                       dd = fabs(d[m]) + fabs(d[m+1]);
-                                       if(fabs(e[m])+dd == dd) break;
-                               }
-                               if(m != l){
-                                       if(iter++ == 30) cerr << "Too many iterations in tqli\n";
-                                       g = (d[l+1]-d[l]) / (2.0 * e[l]);
-                                       r = pythag(g, 1.0);
-                                       g = d[m] - d[l] + e[l] / (g + SIGN(r,g));
-                                       s = c = 1.0;
-                                       p = 0.0000;
-                                       for(i=m-1;i>=l;i--){
-                                               f = s * e[i];
-                                               b = c * e[i];
-                                               e[i+1] = (r=pythag(f,g));
-                                               if(r==0.0){
-                                                       d[i+1] -= p;
-                                                       e[m] = 0.0000;
-                                                       break;
-                                               }
-                                               s = f / r;
-                                               c = g / r;
-                                               g = d[i+1] - p;
-                                               r = (d[i] - g) * s + 2.0 * c * b;
-                                               d[i+1] = g + ( p = s * r);
-                                               g = c * r - b;
-                                               for(int k=0;k<n;k++){
-                                                       f = z[k][i+1];
-                                                       z[k][i+1] = s * z[k][i] + c * f;
-                                                       z[k][i] = c * z[k][i] - s * f;
-                                               }
-                                       }
-                                       if(r == 0.00 && i >= l) continue;
-                                       d[l] -= p;
-                                       e[l] = g;
-                                       e[m] = 0.0;
-                               }
-                       } while (m != l);
-               }
+               string fbase = outputDir + m->getRootName(m->getSimpleName(inputFile));
+               string outputFileName = fbase + lookupFloat[0]->getLabel();
+               output(outputFileName, globaldata->Groups, G, d);
                
-               int k;
-               for(int i=0;i<n;i++){
-                       p=d[k=i];
-                       for(int j=i;j<n;j++){
-                               if(d[j] >= p){
-                                       p=d[k=j];
-                               }
-                       }
-                       if(k!=i){
-                               d[k]=d[i];
-                               d[i]=p;
-                               for(int j=0;j<n;j++){
-                                       p=z[j][i];
-                                       z[j][i] = z[j][k];
-                                       z[j][k] = p;
-                               }
+               if (metric) {   
+                       
+                       for (int i = 1; i < 4; i++) {
+                               
+                               vector< vector<double> > EuclidDists = linearCalc.calculateEuclidianDistance(G, i); //G is the pca file
+                               
+                               if (m->control_pressed) { for (int i = 0; i < outputNames.size(); i++) {        remove(outputNames[i].c_str());  } return 0; }
+                               
+                               double corr = linearCalc.calcPearson(EuclidDists, matrix); //G is the pca file, D is the users distance matrix
+                               
+                               m->mothurOut("Pearson's coefficient using " + toString(i) + " axis: " + toString(corr)); m->mothurOutEndLine();
+                               
+                               m->mothurOut("Rsq " + toString(i) + " axis: " + toString(corr * corr)); m->mothurOutEndLine();
+                               
+                               if (m->control_pressed) { for (int i = 0; i < outputNames.size(); i++) {        remove(outputNames[i].c_str());  } return 0; }
                        }
                }
+               
+               return 0;
        }
        catch(exception& e) {
-               m->errorOut(e, "PCACommand", "qtli");
+               m->errorOut(e, "PCACommand", "process");        
                exit(1);
        }
 }
-
 /*********************************************************************************************************************************/
 
-void PCACommand::output(string fnameRoot, vector<string> name_list, vector<vector<double> > G, vector<double> d) {
+void PCACommand::output(string fnameRoot, vector<string> name_list, vector<vector<double> >& G, vector<double> d) {
        try {
                int rank = name_list.size();
                double dsum = 0.0000;
@@ -512,15 +385,17 @@ void PCACommand::output(string fnameRoot, vector<string> name_list, vector<vecto
                        }
                }
                
-               ofstream pcaData((fnameRoot+"pca").c_str(), ios::trunc);
+               ofstream pcaData((fnameRoot+".pca.axes").c_str(), ios::trunc);
                pcaData.setf(ios::fixed, ios::floatfield);
                pcaData.setf(ios::showpoint);   
-               outputNames.push_back(fnameRoot+"pca");
+               outputNames.push_back(fnameRoot+".pca.axes");
+               outputTypes["pca"].push_back(fnameRoot+".pca.axes");
                
-               ofstream pcaLoadings((fnameRoot+"pca.loadings").c_str(), ios::trunc);
+               ofstream pcaLoadings((fnameRoot+".pca.loadings").c_str(), ios::trunc);
                pcaLoadings.setf(ios::fixed, ios::floatfield);
                pcaLoadings.setf(ios::showpoint);
-               outputNames.push_back(fnameRoot+"pca.loadings");        
+               outputNames.push_back(fnameRoot+".pca.loadings");
+               outputTypes["loadings"].push_back(fnameRoot+".pca.loadings");   
                
                pcaLoadings << "axis\tloading\n";
                for(int i=0;i<rank;i++){
@@ -546,6 +421,6 @@ void PCACommand::output(string fnameRoot, vector<string> name_list, vector<vecto
                exit(1);
        }
 }
-
 /*********************************************************************************************************************************/
 
+