]> git.donarmstrong.com Git - mothur.git/commitdiff
added otu.association command. added calcSpearman, calcKendall and calcPearson functi...
authorwestcott <SarahsWork@John-Westcotts-iMac.local>
Wed, 25 Jan 2012 15:09:47 +0000 (10:09 -0500)
committerwestcott <SarahsWork@John-Westcotts-iMac.local>
Wed, 25 Jan 2012 15:09:47 +0000 (10:09 -0500)
Mothur.xcodeproj/project.pbxproj
commandfactory.cpp
linearalgebra.cpp
linearalgebra.h
otuassociationcommand.cpp [new file with mode: 0644]
otuassociationcommand.h [new file with mode: 0644]

index 99454a9b47e4150e39ab5d35da76ec5e93ff5244..545f7b3a092c3758bdbe30e11722cbf3202e123f 100644 (file)
@@ -53,6 +53,7 @@
                A79234D713C74BF6002B08E2 /* mothurfisher.cpp in Sources */ = {isa = PBXBuildFile; fileRef = A79234D613C74BF6002B08E2 /* mothurfisher.cpp */; };
                A795840D13F13CD900F201D5 /* countgroupscommand.cpp in Sources */ = {isa = PBXBuildFile; fileRef = A795840C13F13CD900F201D5 /* countgroupscommand.cpp */; };
                A799F5B91309A3E000AEEFA0 /* makefastqcommand.cpp in Sources */ = {isa = PBXBuildFile; fileRef = A799F5B81309A3E000AEEFA0 /* makefastqcommand.cpp */; };
+               A7A3C8C914D041AD00B1BFBE /* otuassociationcommand.cpp in Sources */ = {isa = PBXBuildFile; fileRef = A7A3C8C714D041AD00B1BFBE /* otuassociationcommand.cpp */; };
                A7A61F2D130062E000E05B6B /* amovacommand.cpp in Sources */ = {isa = PBXBuildFile; fileRef = A7A61F2C130062E000E05B6B /* amovacommand.cpp */; };
                A7BF221414587886000AD524 /* myPerseus.cpp in Sources */ = {isa = PBXBuildFile; fileRef = A7BF221214587886000AD524 /* myPerseus.cpp */; };
                A7BF2232145879B2000AD524 /* chimeraperseuscommand.cpp in Sources */ = {isa = PBXBuildFile; fileRef = A7BF2231145879B2000AD524 /* chimeraperseuscommand.cpp */; };
                A795840C13F13CD900F201D5 /* countgroupscommand.cpp */ = {isa = PBXFileReference; fileEncoding = 4; lastKnownFileType = sourcecode.cpp.cpp; path = countgroupscommand.cpp; sourceTree = "<group>"; };
                A799F5B71309A3E000AEEFA0 /* makefastqcommand.h */ = {isa = PBXFileReference; fileEncoding = 4; lastKnownFileType = sourcecode.c.h; path = makefastqcommand.h; sourceTree = "<group>"; };
                A799F5B81309A3E000AEEFA0 /* makefastqcommand.cpp */ = {isa = PBXFileReference; fileEncoding = 4; lastKnownFileType = sourcecode.cpp.cpp; path = makefastqcommand.cpp; sourceTree = "<group>"; };
+               A7A3C8C714D041AD00B1BFBE /* otuassociationcommand.cpp */ = {isa = PBXFileReference; fileEncoding = 4; lastKnownFileType = sourcecode.cpp.cpp; path = otuassociationcommand.cpp; sourceTree = "<group>"; };
+               A7A3C8C814D041AD00B1BFBE /* otuassociationcommand.h */ = {isa = PBXFileReference; fileEncoding = 4; lastKnownFileType = sourcecode.c.h; path = otuassociationcommand.h; sourceTree = "<group>"; };
                A7A61F1A130035C800E05B6B /* LICENSE */ = {isa = PBXFileReference; fileEncoding = 4; lastKnownFileType = text; path = LICENSE; sourceTree = "<group>"; };
                A7A61F2B130062E000E05B6B /* amovacommand.h */ = {isa = PBXFileReference; fileEncoding = 4; lastKnownFileType = sourcecode.c.h; path = amovacommand.h; sourceTree = "<group>"; };
                A7A61F2C130062E000E05B6B /* amovacommand.cpp */ = {isa = PBXFileReference; fileEncoding = 4; lastKnownFileType = sourcecode.cpp.cpp; path = amovacommand.cpp; sourceTree = "<group>"; };
                                A7E9B76B12D37EC400DA6239 /* normalizesharedcommand.cpp */,
                                A713EBEB12DC7C5E000092AC /* nmdscommand.h */,
                                A713EBEC12DC7C5E000092AC /* nmdscommand.cpp */,
+                               A7A3C8C814D041AD00B1BFBE /* otuassociationcommand.h */,
+                               A7A3C8C714D041AD00B1BFBE /* otuassociationcommand.cpp */,
                                A7E9B77A12D37EC400DA6239 /* otuhierarchycommand.h */,
                                A7E9B77912D37EC400DA6239 /* otuhierarchycommand.cpp */,
                                A7E9B77E12D37EC400DA6239 /* pairwiseseqscommand.h */,
                        };
                        buildConfigurationList = 1DEB928908733DD80010E9CD /* Build configuration list for PBXProject "Mothur" */;
                        compatibilityVersion = "Xcode 3.1";
+                       developmentRegion = English;
                        hasScannedForEncodings = 1;
                        knownRegions = (
                                English,
                                A7FA2AD114A0E881007C09A6 /* stxwx.f in Sources */,
                                A7FA2B1614A0EBEA007C09A6 /* sslvrg.f in Sources */,
                                A7FA2B5B14A0F0C2007C09A6 /* intrv.f in Sources */,
+                               A7A3C8C914D041AD00B1BFBE /* otuassociationcommand.cpp in Sources */,
                        );
                        runOnlyForDeploymentPostprocessing = 0;
                };
index 8c8fe3cb340f0ee56ba8ec7bc9e34ee69c32c021..d813e1b5e22f9184de49151d3183b528c1dfc7cd 100644 (file)
 #include "chimeraperseuscommand.h"
 #include "shhhseqscommand.h"
 #include "summaryqualcommand.h"
+#include "otuassociationcommand.h"
 
 /*******************************************************/
 
@@ -273,6 +274,7 @@ CommandFactory::CommandFactory(){
        commands["summary.tax"]                 = "summary.tax";
        commands["summary.qual"]                = "summary.qual";
        commands["shhh.seqs"]                   = "shhh.seqs";
+       commands["otu.association"]             = "otu.association";
        commands["quit"]                                = "MPIEnabled"; 
 
 }
@@ -433,6 +435,7 @@ Command* CommandFactory::getCommand(string commandName, string optionString){
                else if(commandName == "summary.qual")                  {       command = new SummaryQualCommand(optionString);                         }
                else if(commandName == "chimera.perseus")               {       command = new ChimeraPerseusCommand(optionString);                      }
                else if(commandName == "shhh.seqs")                             {       command = new ShhhSeqsCommand(optionString);                            }
+               else if(commandName == "otu.association")               {       command = new OTUAssociationCommand(optionString);                      }
                else                                                                                    {       command = new NoCommand(optionString);                                          }
 
                return command;
@@ -577,6 +580,7 @@ Command* CommandFactory::getCommand(string commandName, string optionString, str
                else if(commandName == "summary.qual")                  {       pipecommand = new SummaryQualCommand(optionString);                             }
                else if(commandName == "chimera.perseus")               {       pipecommand = new ChimeraPerseusCommand(optionString);                  }
                else if(commandName == "shhh.seqs")                             {       pipecommand = new ShhhSeqsCommand(optionString);                                }
+               else if(commandName == "otu.association")               {       pipecommand = new OTUAssociationCommand(optionString);                  }
                else                                                                                    {       pipecommand = new NoCommand(optionString);                                              }
 
                return pipecommand;
@@ -709,6 +713,7 @@ Command* CommandFactory::getCommand(string commandName){
                else if(commandName == "summary.qual")                  {       shellcommand = new SummaryQualCommand();                        }
                else if(commandName == "chimera.perseus")               {       shellcommand = new ChimeraPerseusCommand();                     }
                else if(commandName == "shhh.seqs")                             {       shellcommand = new ShhhSeqsCommand();                           }
+               else if(commandName == "otu.association")               {       shellcommand = new OTUAssociationCommand();                     }
                else                                                                                    {       shellcommand = new NoCommand();                                         }
 
                return shellcommand;
index e19861912d9c7fc78f9b2cbbb87ecd76e9388ba9..0269fc49d3ddbf5c661fc99d21e2ef5ac4e5a1f3 100644 (file)
@@ -693,7 +693,314 @@ double LinearAlgebra::calcKendall(vector< vector<double> >& euclidDists, vector<
                exit(1);
        }
 }
-
+/*********************************************************************************************************************************/
+double LinearAlgebra::calcKendall(vector<double>& x, vector<double>& y, double& sig){
+       try {
+               if (x.size() != y.size()) { m->mothurOut("[ERROR]: vector size mismatch."); m->mothurOutEndLine(); return 0.0; }
+               
+               //format data
+               vector<spearmanRank> xscores; 
+               for (int i = 0; i < x.size(); i++) {
+                       spearmanRank member(toString(i), x[i]);
+                       xscores.push_back(member);  
+               }
+               
+               //sort xscores
+               sort(xscores.begin(), xscores.end(), compareSpearman);
+               
+               //convert scores to ranks of x
+               vector<spearmanRank*> ties;
+               int rankTotal = 0;
+               for (int j = 0; j < xscores.size(); j++) {
+                       rankTotal += (j+1);
+                       ties.push_back(&(xscores[j]));
+                               
+                       if (j != xscores.size()-1) { // you are not the last so you can look ahead
+                               if (xscores[j].score != xscores[j+1].score) { // you are done with ties, rank them and continue
+                                       for (int k = 0; k < ties.size(); k++) {
+                                               float thisrank = rankTotal / (float) ties.size();
+                                               (*ties[k]).score = thisrank;
+                                       }
+                                       ties.clear();
+                                       rankTotal = 0;
+                               }
+                       }else { // you are the last one
+                               for (int k = 0; k < ties.size(); k++) {
+                                       float thisrank = rankTotal / (float) ties.size();
+                                       (*ties[k]).score = thisrank;
+                               }
+                       }
+               }
+               
+                       
+               //format data
+               vector<spearmanRank> yscores;
+               for (int j = 0; j < y.size(); j++) {
+                       spearmanRank member(toString(j), y[j]);
+                       yscores.push_back(member);
+               }
+               
+               //sort yscores
+               sort(yscores.begin(), yscores.end(), compareSpearman);
+               
+               //convert to ranks
+               map<string, float> rank;
+               vector<spearmanRank> yties;
+               rankTotal = 0;
+               for (int j = 0; j < yscores.size(); j++) {
+                       rankTotal += (j+1);
+                       yties.push_back(yscores[j]);
+                               
+                       if (j != yscores.size()-1) { // you are not the last so you can look ahead
+                               if (yscores[j].score != yscores[j+1].score) { // you are done with ties, rank them and continue
+                                       for (int k = 0; k < yties.size(); k++) {
+                                               float thisrank = rankTotal / (float) yties.size();
+                                               rank[yties[k].name] = thisrank;
+                                       }
+                                       yties.clear();
+                                       rankTotal = 0;
+                               }
+                       }else { // you are the last one
+                               for (int k = 0; k < yties.size(); k++) {
+                                       float thisrank = rankTotal / (float) yties.size();
+                                       rank[yties[k].name] = thisrank;
+                               }
+                       }
+               }
+                       
+                       
+               int numCoor = 0;
+               int numDisCoor = 0;
+               
+               //associate x and y
+               vector<spearmanRank> otus; 
+               for (int l = 0; l < xscores.size(); l++) {   
+                       spearmanRank member(xscores[l].name, rank[xscores[l].name]);
+                       otus.push_back(member);
+               }
+                               
+               int count = 0;
+               for (int l = 0; l < xscores.size(); l++) {
+                                       
+                       int numWithHigherRank = 0;
+                       int numWithLowerRank = 0;
+                       float thisrank = otus[l].score;
+                                       
+                       for (int u = l+1; u < xscores.size(); u++) {
+                               if (otus[u].score > thisrank) { numWithHigherRank++; }
+                               else if (otus[u].score < thisrank) { numWithLowerRank++; }
+                               count++;
+                       }
+                                       
+                       numCoor += numWithHigherRank;
+                       numDisCoor += numWithLowerRank;
+               }
+                               
+               double p = (numCoor - numDisCoor) / (float) count;
+               
+               //calc signif - zA - http://en.wikipedia.org/wiki/Kendall_tau_rank_correlation_coefficient#Significance_tests
+               double numer = 3.0 * (numCoor - numDisCoor);
+        int n = xscores.size();
+        double denom = n * (n-1) * (2*n + 5) / (double) 2.0;
+        denom = sqrt(denom);
+        sig = numer / denom;
+               
+               if (isnan(sig) || isinf(sig)) { sig = 0.0; }
+               
+               return p;
+       }
+       catch(exception& e) {
+               m->errorOut(e, "LinearAlgebra", "calcKendall");
+               exit(1);
+       }
+}
+/*********************************************************************************************************************************/
+double LinearAlgebra::calcSpearman(vector<double>& x, vector<double>& y, double& sig){
+       try {
+               if (x.size() != y.size()) { m->mothurOut("[ERROR]: vector size mismatch."); m->mothurOutEndLine(); return 0.0; }
+               
+               //format data
+               map<float, int> tableX; 
+               map<float, int>::iterator itTable;
+               vector<spearmanRank> xscores; 
+               
+               for (int i = 0; i < x.size(); i++) {
+                       spearmanRank member(toString(i), x[i]);
+                       xscores.push_back(member);  
+                               
+                       //count number of repeats
+                       itTable = tableX.find(x[i]);
+                       if (itTable == tableX.end()) { 
+                               tableX[x[i]] = 1;
+                       }else {
+                               tableX[x[i]]++;
+                       }
+               }
+               
+               
+               //calc LX
+               double Lx = 0.0;
+               for (itTable = tableX.begin(); itTable != tableX.end(); itTable++) {
+                       double tx = (double) itTable->second;
+                       Lx += ((pow(tx, 3.0) - tx) / 12.0);
+               }
+               
+               
+               //sort x
+               sort(xscores.begin(), xscores.end(), compareSpearman);
+               
+               //convert scores to ranks of x
+               //convert to ranks
+               map<string, float> rankx;
+               vector<spearmanRank> xties;
+               int rankTotal = 0;
+               for (int j = 0; j < xscores.size(); j++) {
+                       rankTotal += (j+1);
+                       xties.push_back(xscores[j]);
+                       
+                       if (j != xscores.size()-1) { // you are not the last so you can look ahead
+                               if (xscores[j].score != xscores[j+1].score) { // you are done with ties, rank them and continue
+                                       for (int k = 0; k < xties.size(); k++) {
+                                               float thisrank = rankTotal / (float) xties.size();
+                                               rankx[xties[k].name] = thisrank;
+                                       }
+                                       xties.clear();
+                                       rankTotal = 0;
+                               }
+                       }else { // you are the last one
+                               for (int k = 0; k < xties.size(); k++) {
+                                       float thisrank = rankTotal / (float) xties.size();
+                                       rankx[xties[k].name] = thisrank;
+                               }
+                       }
+               }               
+                       
+               //format x
+               vector<spearmanRank> yscores;
+               map<float, int> tableY;
+               for (int j = 0; j < y.size(); j++) {
+                       spearmanRank member(toString(j), y[j]);
+                       yscores.push_back(member);
+                               
+                       itTable = tableY.find(member.score);
+                       if (itTable == tableY.end()) { 
+                               tableY[member.score] = 1;
+                       }else {
+                               tableY[member.score]++;
+                       }
+                               
+               }
+                       
+               //calc Ly
+               double Ly = 0.0;
+               for (itTable = tableY.begin(); itTable != tableY.end(); itTable++) {
+                       double ty = (double) itTable->second;
+                       Ly += ((pow(ty, 3.0) - ty) / 12.0);
+               }
+                       
+               sort(yscores.begin(), yscores.end(), compareSpearman);
+                       
+               //convert to ranks
+               map<string, float> rank;
+               vector<spearmanRank> yties;
+               rankTotal = 0;
+               for (int j = 0; j < yscores.size(); j++) {
+                       rankTotal += (j+1);
+                       yties.push_back(yscores[j]);
+                       
+                       if (j != yscores.size()-1) { // you are not the last so you can look ahead
+                               if (yscores[j].score != yscores[j+1].score) { // you are done with ties, rank them and continue
+                                       for (int k = 0; k < yties.size(); k++) {
+                                               float thisrank = rankTotal / (float) yties.size();
+                                               rank[yties[k].name] = thisrank;
+                                       }
+                                       yties.clear();
+                                       rankTotal = 0;
+                               }
+                       }else { // you are the last one
+                               for (int k = 0; k < yties.size(); k++) {
+                                       float thisrank = rankTotal / (float) yties.size();
+                                       rank[yties[k].name] = thisrank;
+                               }
+                       }
+               }
+               
+               double di = 0.0;
+               for (int k = 0; k < x.size(); k++) {
+                                       
+                       float xi = rankx[toString(k)];
+                       float yi = rank[toString(k)];
+                                       
+                       di += ((xi - yi) * (xi - yi));
+               }
+                               
+               double p = 0.0;
+                               
+               double n = (double) x.size();
+               double SX2 = ((pow(n, 3.0) - n) / 12.0) - Lx;
+               double SY2 = ((pow(n, 3.0) - n) / 12.0) - Ly;
+                               
+               p = (SX2 + SY2 - di) / (2.0 * sqrt((SX2*SY2)));
+               
+               //signifigance calc - http://en.wikipedia.org/wiki/Spearman%27s_rank_correlation_coefficient
+               double temp = (x.size()-2) / (double) (1- (p*p));
+               temp = sqrt(temp);
+               sig = p*temp;
+               if (isnan(sig) || isinf(sig)) { sig = 0.0; }
+                               
+               return p;
+       }
+       catch(exception& e) {
+               m->errorOut(e, "LinearAlgebra", "calcSpearman");
+               exit(1);
+       }
+}              
+/*********************************************************************************************************************************/
+double LinearAlgebra::calcPearson(vector<double>& x, vector<double>& y, double& sig){
+       try {
+               if (x.size() != y.size()) { m->mothurOut("[ERROR]: vector size mismatch."); m->mothurOutEndLine(); return 0.0; }
+               
+               //find average X
+               float averageX = 0.0; 
+               for (int i = 0; i < x.size(); i++) { averageX += x[i];  }
+               averageX = averageX / (float) x.size(); 
+               
+               //find average Y
+               float sumY = 0.0;
+               for (int j = 0; j < y.size(); j++) { sumY += y[j]; }
+               float Ybar = sumY / (float) y.size();
+                       
+               double r = 0.0;
+               double numerator = 0.0;
+               double denomTerm1 = 0.0;
+               double denomTerm2 = 0.0;
+                               
+               for (int j = 0; j < x.size(); j++) {
+                       float Yi = y[j];
+                       float Xi = x[j];
+                                       
+                       numerator += ((Xi - averageX) * (Yi - Ybar));
+                       denomTerm1 += ((Xi - averageX) * (Xi - averageX));
+                       denomTerm2 += ((Yi - Ybar) * (Yi - Ybar));
+               }
+                               
+               double denom = (sqrt(denomTerm1) * sqrt(denomTerm2));
+                               
+               r = numerator / denom;
+               
+               //signifigance calc - http://faculty.vassar.edu/lowry/ch4apx.html
+               double temp =  (1- (r*r)) / (double) (x.size()-2);
+               temp = sqrt(temp);
+               sig = r / temp;
+               if (isnan(sig) || isinf(sig)) { sig = 0.0; }
+               
+               return r;
+       }
+       catch(exception& e) {
+               m->errorOut(e, "LinearAlgebra", "calcPearson");
+               exit(1);
+       }
+}                      
 /*********************************************************************************************************************************/
 
 vector<vector<double> > LinearAlgebra::getObservedEuclideanDistance(vector<vector<double> >& relAbundData){
index 58a60dae8f04d9eae12fff9f8d729cc2119d4c92..321f46a1e283b6f4113b8dfd8242b0dfa190cc4e 100644 (file)
@@ -29,6 +29,11 @@ public:
        double calcPearson(vector<vector<double> >&, vector<vector<double> >&);
        double calcSpearman(vector<vector<double> >&, vector<vector<double> >&);
        double calcKendall(vector<vector<double> >&, vector<vector<double> >&);
+       
+       double calcPearson(vector<double>&, vector<double>&, double&);
+       double calcSpearman(vector<double>&, vector<double>&, double&);
+       double calcKendall(vector<double>&, vector<double>&, double&);
+       
 
 private:
        MothurOut* m;
diff --git a/otuassociationcommand.cpp b/otuassociationcommand.cpp
new file mode 100644 (file)
index 0000000..c82510c
--- /dev/null
@@ -0,0 +1,460 @@
+/*
+ *  otuassociationcommand.cpp
+ *  Mothur
+ *
+ *  Created by westcott on 1/19/12.
+ *  Copyright 2012 Schloss Lab. All rights reserved.
+ *
+ */
+
+#include "otuassociationcommand.h"
+#include "linearalgebra.h"
+
+//**********************************************************************************************************************
+vector<string> OTUAssociationCommand::setParameters(){ 
+       try {
+               CommandParameter pshared("shared", "InputTypes", "", "", "SharedRelMeta", "SharedRelMeta", "none",false,false); parameters.push_back(pshared);
+               CommandParameter prelabund("relabund", "InputTypes", "", "", "SharedRelMeta", "SharedRelMeta", "none",false,false); parameters.push_back(prelabund);
+               CommandParameter plabel("label", "String", "", "", "", "", "",false,false); parameters.push_back(plabel);
+               CommandParameter pgroups("groups", "String", "", "", "", "", "",false,false); parameters.push_back(pgroups);
+               CommandParameter pmethod("method", "Multiple", "pearson-spearman-kendall", "pearson", "", "", "",false,false); parameters.push_back(pmethod);
+               CommandParameter pinputdir("inputdir", "String", "", "", "", "", "",false,false); parameters.push_back(pinputdir);
+               CommandParameter poutputdir("outputdir", "String", "", "", "", "", "",false,false); parameters.push_back(poutputdir);
+               
+               vector<string> myArray;
+               for (int i = 0; i < parameters.size(); i++) {   myArray.push_back(parameters[i].name);          }
+               return myArray;
+       }
+       catch(exception& e) {
+               m->errorOut(e, "OTUAssociationCommand", "setParameters");
+               exit(1);
+       }
+}
+//**********************************************************************************************************************
+string OTUAssociationCommand::getHelpString(){ 
+       try {
+               string helpString = "";
+               helpString += "The otu.association command reads a shared or relabund file and calculates the correlation coefficients between otus.\n";
+               helpString += "The otu.association command parameters are shared, relabund, groups, method and label.  The shared or relabund parameter is required.\n";
+               helpString += "The groups parameter allows you to specify which of the groups you would like included. The group names are separated by dashes.\n";
+               helpString += "The label parameter allows you to select what distances level you would like used, and are also separated by dashes.\n";
+               helpString += "The method parameter allows you to select what method you would like to use. Options are pearson, spearman and kendall. Default=pearson.\n";
+               helpString += "The otu.association command should be in the following format: otu.association(shared=yourSharedFile, method=yourMethod).\n";
+               helpString += "Example otu.association(shared=genus.pool.shared, method=kendall).\n";
+               helpString += "The otu.association command outputs a .otu.corr file.\n";
+               helpString += "Note: No spaces between parameter labels (i.e. groups), '=' and parameters (i.e.yourGroups).\n";
+               return helpString;
+       }
+       catch(exception& e) {
+               m->errorOut(e, "OTUAssociationCommand", "getHelpString");
+               exit(1);
+       }
+}
+//**********************************************************************************************************************
+OTUAssociationCommand::OTUAssociationCommand(){        
+       try {
+               abort = true; calledHelp = true; 
+               setParameters();
+               vector<string> tempOutNames;
+               outputTypes["otu.corr"] = tempOutNames;
+       }
+       catch(exception& e) {
+               m->errorOut(e, "OTUAssociationCommand", "OTUAssociationCommand");
+               exit(1);
+       }
+}
+//**********************************************************************************************************************
+OTUAssociationCommand::OTUAssociationCommand(string option)  {
+       try {
+               abort = false; calledHelp = false;   
+               allLines = 1;
+               
+               //allow user to run help
+               if(option == "help") { help(); abort = true; calledHelp = true; }
+               else if(option == "citation") { citation(); abort = true; calledHelp = true;}
+               
+               else {
+                       vector<string> myArray = setParameters();
+                       
+                       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;  }
+                       }
+                       
+                       vector<string> tempOutNames;
+                       outputTypes["otu.corr"] = tempOutNames;
+                       
+                       //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("shared");
+                               //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["shared"] = inputDir + it->second;           }
+                               }
+                               
+                               it = parameters.find("relabund");
+                               //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["relabund"] = inputDir + it->second;         }
+                               }
+                       }
+                       
+                       
+                       //check for required parameters                 
+                       sharedfile = validParameter.validFile(parameters, "shared", true);
+                       if (sharedfile == "not open") { abort = true; }
+                       else if (sharedfile == "not found") { sharedfile = ""; }
+                       else { inputFileName = sharedfile; m->setSharedFile(sharedfile); }
+                       
+                       relabundfile = validParameter.validFile(parameters, "relabund", true);
+                       if (relabundfile == "not open") { abort = true; }
+                       else if (relabundfile == "not found") { relabundfile = ""; }
+                       else { inputFileName = relabundfile; m->setRelAbundFile(relabundfile); }
+                       
+                       groups = validParameter.validFile(parameters, "groups", false);                 
+                       if (groups == "not found") { groups = "";  pickedGroups = false;  }
+                       else { 
+                               pickedGroups = true;
+                               m->splitAtDash(groups, Groups); 
+                       }                       
+                       m->setGroups(Groups);
+                       
+                       outputDir = validParameter.validFile(parameters, "outputdir", false);           if (outputDir == "not found"){  outputDir = m->hasPath(inputFileName);  }
+                       
+                       label = validParameter.validFile(parameters, "label", false);                   
+                       if (label == "not found") { label = ""; }
+                       else { 
+                               if(label != "all") {  m->splitAtDash(label, labels);  allLines = 0;  }
+                               else { allLines = 1;  }
+                       }
+                       
+                       if ((relabundfile == "") && (sharedfile == "")) { 
+                               //is there are current file available for any of these?
+                               //give priority to shared, then relabund
+                               //if there is a current shared file, use it
+                               sharedfile = m->getSharedFile(); 
+                               if (sharedfile != "") { inputFileName = sharedfile; m->mothurOut("Using " + sharedfile + " as input file for the shared parameter."); m->mothurOutEndLine(); }
+                               else { 
+                                       relabundfile = m->getRelAbundFile(); 
+                                       if (relabundfile != "") { inputFileName = relabundfile;  m->mothurOut("Using " + relabundfile + " as input file for the relabund parameter."); m->mothurOutEndLine(); }
+                                       else { 
+                                               m->mothurOut("You must provide either a shared or relabund file."); m->mothurOutEndLine(); abort = true; 
+                                       }
+                               }
+                       }       
+                       
+                       
+                       if ((relabundfile != "") && (sharedfile != "")) { m->mothurOut("You may only use one of the following : shared or relabund file."); m->mothurOutEndLine(); abort = true;  }
+                       
+                       method = validParameter.validFile(parameters, "method", false);         if (method == "not found"){     method = "pearson";             }
+                       
+                       if ((method != "pearson") && (method != "spearman") && (method != "kendall")) { m->mothurOut(method + " is not a valid method. Valid methods are pearson, spearman, and kendall."); m->mothurOutEndLine(); abort = true; }
+                       
+               }
+       }
+       catch(exception& e) {
+               m->errorOut(e, "OTUAssociationCommand", "OTUAssociationCommand");               
+               exit(1);
+       }
+}
+//**********************************************************************************************************************
+
+int OTUAssociationCommand::execute(){
+       try {
+               
+               if (abort == true) { if (calledHelp) { return 0; }  return 2;   }
+               
+               //function are identical just different datatypes
+               if (sharedfile != "")                   {  processShared();             } 
+               else if (relabundfile != "")    {  processRelabund();   }
+                               
+               if (m->control_pressed) {  for (int i = 0; i < outputNames.size(); i++) {       m->mothurRemove(outputNames[i]); } return 0; }
+               
+               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, "OTUAssociationCommand", "execute");     
+               exit(1);
+       }
+}
+//**********************************************************************************************************************
+int OTUAssociationCommand::processShared(){
+       try {
+               InputData* input = new InputData(sharedfile, "sharedfile");
+               vector<SharedRAbundVector*> lookup = input->getSharedRAbundVectors();
+               string lastLabel = lookup[0]->getLabel();
+               
+               //if the users enters label "0.06" and there is no "0.06" in their file use the next lowest label.
+               set<string> processedLabels;
+               set<string> userLabels = labels;
+               
+               //as long as you are not at the end of the file or done wih the lines you want
+               while((lookup[0] != NULL) && ((allLines == 1) || (userLabels.size() != 0))) {
+                       
+                       if (m->control_pressed) {  delete input; return 0;  }
+                       
+                       if(allLines == 1 || labels.count(lookup[0]->getLabel()) == 1){  
+                               processedLabels.insert(lookup[0]->getLabel());
+                               userLabels.erase(lookup[0]->getLabel());
+                               
+                               m->mothurOut(lookup[0]->getLabel()); m->mothurOutEndLine();
+                               process(lookup);
+                       }
+                       
+                       if ((m->anyLabelsToProcess(lookup[0]->getLabel(), userLabels, "") == true) && (processedLabels.count(lastLabel) != 1)) {
+                               string saveLabel = lookup[0]->getLabel();
+                               
+                               for (int i = 0; i < lookup.size(); i++) {  delete lookup[i];  } 
+                               lookup = input->getSharedRAbundVectors(lastLabel);
+                               
+                               processedLabels.insert(lookup[0]->getLabel());
+                               userLabels.erase(lookup[0]->getLabel());
+                               
+                               //restore real lastlabel to save below
+                               lookup[0]->setLabel(saveLabel);
+                               
+                               m->mothurOut(lookup[0]->getLabel()); m->mothurOutEndLine();
+                               process(lookup);
+                       }
+                       
+                       lastLabel = lookup[0]->getLabel();                      
+                       
+                       //get next line to process
+                       //prevent memory leak
+                       for (int i = 0; i < lookup.size(); i++) {  delete lookup[i];  } 
+                       lookup = input->getSharedRAbundVectors();
+               }
+               
+               
+               if (m->control_pressed) { delete input; return 0;  }
+               
+               //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();
+                       }
+               }
+               
+               //run last label if you need to
+               if (needToRun == true)  {
+                       for (int i = 0; i < lookup.size(); i++) {  if (lookup[i] != NULL) {     delete lookup[i];       } } 
+                       lookup = input->getSharedRAbundVectors(lastLabel);
+                       
+                       m->mothurOut(lookup[0]->getLabel()); m->mothurOutEndLine();
+                       process(lookup);
+               }       
+               
+               delete input;
+               
+               return 0;
+       }
+       catch(exception& e) {
+               m->errorOut(e, "OTUAssociationCommand", "processShared");       
+               exit(1);
+       }
+}
+//**********************************************************************************************************************
+int OTUAssociationCommand::process(vector<SharedRAbundVector*>& lookup){
+       try {
+               
+               string outputFileName = outputDir + m->getRootName(m->getSimpleName(inputFileName)) + lookup[0]->getLabel() + "." + method + ".otu.corr";
+               outputNames.push_back(outputFileName); outputTypes["shared"].push_back(outputFileName);
+               
+               ofstream out;
+               m->openOutputFile(outputFileName, out);
+               out.setf(ios::fixed, ios::floatfield); out.setf(ios::showpoint);
+               
+               //column headings
+               out << "OTUA\tOTUB\t" << method << "Coef\tSignificance\n";
+               
+               vector< vector<double> > xy; xy.resize(lookup[0]->getNumBins());
+               for (int i = 0; i < lookup[0]->getNumBins(); i++) { for (int j = 0; j < lookup.size(); j++) { xy[i].push_back(lookup[j]->getAbundance(i)); } }
+               
+               LinearAlgebra linear;
+               for (int i = 0; i < xy.size(); i++) {
+                       
+                       for (int k = 0; k < i; k++) {
+                               
+                               if (m->control_pressed) { out.close(); return 0; }
+                                                                                               
+                               double coef = 0.0;
+                               double sig = 0.0;
+                               if (method == "spearman")               {   coef = linear.calcSpearman(xy[i], xy[k], sig);      }
+                               else if (method == "pearson")   {       coef = linear.calcPearson(xy[i], xy[k], sig);   }
+                               else if (method == "kendall")   {       coef = linear.calcKendall(xy[i], xy[k], sig);   }                   
+                               else { m->mothurOut("[ERROR]: invalid method, choices are spearman, pearson or kendall."); m->mothurOutEndLine(); m->control_pressed = true; }
+                       
+                               out << m->binLabelsInFile[i] << '\t' << m->binLabelsInFile[k] << '\t' << coef << '\t' << sig << endl;
+                       }
+               }
+               
+               out.close();
+               
+               return 0;
+               
+       }
+       catch(exception& e) {
+               m->errorOut(e, "OTUAssociationCommand", "process");     
+               exit(1);
+       }
+}
+//**********************************************************************************************************************
+int OTUAssociationCommand::processRelabund(){
+       try {
+               InputData* input = new InputData(relabundfile, "relabund");
+               vector<SharedRAbundFloatVector*> lookup = input->getSharedRAbundFloatVectors();
+               string lastLabel = lookup[0]->getLabel();
+               
+               //if the users enters label "0.06" and there is no "0.06" in their file use the next lowest label.
+               set<string> processedLabels;
+               set<string> userLabels = labels;
+               
+               //as long as you are not at the end of the file or done wih the lines you want
+               while((lookup[0] != NULL) && ((allLines == 1) || (userLabels.size() != 0))) {
+                       
+                       if (m->control_pressed) {  delete input; return 0;  }
+                       
+                       if(allLines == 1 || labels.count(lookup[0]->getLabel()) == 1){  
+                               processedLabels.insert(lookup[0]->getLabel());
+                               userLabels.erase(lookup[0]->getLabel());
+                               
+                               m->mothurOut(lookup[0]->getLabel()); m->mothurOutEndLine();
+                               process(lookup);
+                       }
+                       
+                       if ((m->anyLabelsToProcess(lookup[0]->getLabel(), userLabels, "") == true) && (processedLabels.count(lastLabel) != 1)) {
+                               string saveLabel = lookup[0]->getLabel();
+                               
+                               for (int i = 0; i < lookup.size(); i++) {  delete lookup[i];  } 
+                               lookup = input->getSharedRAbundFloatVectors(lastLabel);
+                               
+                               processedLabels.insert(lookup[0]->getLabel());
+                               userLabels.erase(lookup[0]->getLabel());
+                               
+                               //restore real lastlabel to save below
+                               lookup[0]->setLabel(saveLabel);
+                               
+                               m->mothurOut(lookup[0]->getLabel()); m->mothurOutEndLine();
+                               process(lookup);
+                       }
+                       
+                       lastLabel = lookup[0]->getLabel();                      
+                       
+                       //get next line to process
+                       //prevent memory leak
+                       for (int i = 0; i < lookup.size(); i++) {  delete lookup[i];  } 
+                       lookup = input->getSharedRAbundFloatVectors();
+               }
+               
+               
+               if (m->control_pressed) { delete input; return 0;  }
+               
+               //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();
+                       }
+               }
+               
+               //run last label if you need to
+               if (needToRun == true)  {
+                       for (int i = 0; i < lookup.size(); i++) {  if (lookup[i] != NULL) {     delete lookup[i];       } } 
+                       lookup = input->getSharedRAbundFloatVectors(lastLabel);
+                       
+                       m->mothurOut(lookup[0]->getLabel()); m->mothurOutEndLine();
+                       process(lookup);
+               }       
+               
+               delete input;
+               
+               return 0;
+       }
+       catch(exception& e) {
+               m->errorOut(e, "OTUAssociationCommand", "processRelabund");     
+               exit(1);
+       }
+}
+//**********************************************************************************************************************
+int OTUAssociationCommand::process(vector<SharedRAbundFloatVector*>& lookup){
+       try {
+               
+               string outputFileName = outputDir + m->getRootName(m->getSimpleName(inputFileName)) + lookup[0]->getLabel() + "." + method + ".otu.corr";
+               outputNames.push_back(outputFileName); outputTypes["shared"].push_back(outputFileName);
+               
+               ofstream out;
+               m->openOutputFile(outputFileName, out);
+               out.setf(ios::fixed, ios::floatfield); out.setf(ios::showpoint);
+               
+               //column headings
+               out << "OTUA\tOTUB\t" << method << "Coef\tSignificance\n";
+               
+               vector< vector<double> > xy; xy.resize(lookup[0]->getNumBins());
+               for (int i = 0; i < lookup[0]->getNumBins(); i++) { for (int j = 0; j < lookup.size(); j++) { xy[i].push_back(lookup[j]->getAbundance(i)); } }
+               
+               LinearAlgebra linear;
+               for (int i = 0; i < xy.size(); i++) {
+                       
+                       for (int k = 0; k < i; k++) {
+                               
+                               if (m->control_pressed) { out.close(); return 0; }
+                               
+                               double coef = 0.0;
+                               double sig = 0.0;
+                               if (method == "spearman")               {   coef = linear.calcSpearman(xy[i], xy[k], sig);      }
+                               else if (method == "pearson")   {       coef = linear.calcPearson(xy[i], xy[k], sig);   }
+                               else if (method == "kendall")   {       coef = linear.calcKendall(xy[i], xy[k], sig);   }                   
+                               else { m->mothurOut("[ERROR]: invalid method, choices are spearman, pearson or kendall."); m->mothurOutEndLine(); m->control_pressed = true; }
+                               
+                               out << m->binLabelsInFile[i] << '\t' << m->binLabelsInFile[k] << coef << '\t' << sig << endl;
+                       }
+               }
+               
+               out.close();
+               
+               return 0;
+               
+       }
+       catch(exception& e) {
+               m->errorOut(e, "OTUAssociationCommand", "process");     
+               exit(1);
+       }
+}
+/*****************************************************************/
+
+
+
+
+
+
+
+
diff --git a/otuassociationcommand.h b/otuassociationcommand.h
new file mode 100644 (file)
index 0000000..7aaa88a
--- /dev/null
@@ -0,0 +1,52 @@
+#ifndef OTUASSOCIATIONCOMMAND_H
+#define OTUASSOCIATIONCOMMAND_H
+
+/*
+ *  otuassociationcommand.h
+ *  Mothur
+ *
+ *  Created by westcott on 1/19/12.
+ *  Copyright 2012 Schloss Lab. All rights reserved.
+ *
+ */
+
+
+#include "command.hpp"
+#include "sharedrabundfloatvector.h"
+#include "inputdata.h"
+
+
+class OTUAssociationCommand : public Command {
+public:
+       OTUAssociationCommand(string);
+       OTUAssociationCommand();
+       ~OTUAssociationCommand(){}
+       
+       vector<string> setParameters();
+       string getCommandName()                 { return "otu.association";                     }
+       string getCommandCategory()             { return "Hypothesis Testing";          }
+       string getHelpString(); 
+       string getCitation() { return "http://www.mothur.org/wiki/Otu.association"; }
+       string getDescription()         { return "calculate the correlation coefficient for the otus in a shared/relabund file"; }
+       
+       int execute();
+       void help() { m->mothurOut(getHelpString()); }  
+private:
+       
+       string sharedfile, relabundfile, groups, label, inputFileName, outputDir, method;
+       bool abort, pickedGroups, allLines;
+       set<string> labels;
+       
+       vector<string> outputNames, Groups;
+       int processShared();
+       int process(vector<SharedRAbundVector*>&);
+       int processRelabund();
+       int process(vector<SharedRAbundFloatVector*>&);
+       
+};
+
+
+#endif
+
+
+