From: Sarah Westcott Date: Wed, 14 Aug 2013 16:20:04 +0000 (-0400) Subject: changed name of get.metacommunity to get.communitytype. fixed bug in metastats comman... X-Git-Url: https://git.donarmstrong.com/?p=mothur.git;a=commitdiff_plain;h=875ab4b2eec77b920e9fa0042f9a2aae2faff2b0 changed name of get.metacommunity to get.communitytype. fixed bug in metastats command with low frequency OTUs. fisher[1] instead of fisher[i]. working on lefse command. fixed sffinfo index offset value when oligos file is used. changed default lookup file location. --- diff --git a/LookUp_GS20.pat b/LookUp_GS20.pat deleted file mode 100644 index 0ffa390..0000000 --- a/LookUp_GS20.pat +++ /dev/null @@ -1,10 +0,0 @@ -0.667711767251583 5.0805902627 4.7556614125 3.8342223117 3.0724624596 2.5646795398 2.2415088828 2.0480906546 1.9864879380 2.0523045241 2.2082906964 2.4309802859 2.7598354949 3.2337716524 3.8952733878 4.7994543028 5.7652009935 6.4092329033 6.8080843489 7.1398376464 7.4028165104 7.6428123350 7.8459148300 8.0684927171 8.2595231514 8.4444722301 8.6621400662 8.8188537546 9.0095938819 9.1479678990 9.2424462473 9.3917813051 9.5589963038 9.7247199692 9.7701823433 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4.8304002549 4.8103293239 4.7909752119 4.7723379189 4.7544174448 4.7372137897 4.7207269536 4.7049569364 4.6899037382 4.6755673589 4.6619477986 4.6490450573 4.6368591350 4.6253900315 4.6146377471 4.6046022816 4.5952836351 4.5866818076 4.5787967990 4.5716286093 4.5651772387 4.5594426870 4.5544249542 4.5501240405 4.5465399457 4.5436726698 4.5415222129 4.5400885750 4.5393717560 4.5393717560 4.5400885750 4.5415222129 4.5436726698 4.5465399457 4.5501240405 4.5544249542 4.5594426870 4.5651772387 4.5716286093 4.5787967990 4.5866818076 4.5952836351 4.6046022816 4.6146377471 4.6253900315 4.6368591350 4.6490450573 4.6619477986 4.6755673589 4.6899037382 4.7049569364 4.7207269536 4.7372137897 4.7544174448 4.7723379189 4.7909752119 4.8103293239 4.8304002549 4.8511880048 4.8726925737 4.8949139615 4.9178521683 4.9415071941 4.9658790388 4.9909677025 5.0167731852 5.0432954868 5.0705346074 5.0984905469 5.1271633054 5.1565528829 5.1866592793 5.2174824947 5.2490225291 5.2812793824 5.3142530547 5.3479435459 5.3823508561 5.4174749853 5.4533159334 5.4898737005 5.5271482866 5.5651396916 5.6038479156 5.6432729585 5.6834148204 5.7242735013 5.7658490011 5.8081413199 5.8511504577 5.8948764144 5.9393191901 5.9844787847 6.0303551984 6.0769484309 6.1242584825 6.1722853530 6.2210290424 6.2704895508 6.3206668782 6.3715610246 6.4231719899 6.4754997742 6.5285443774 6.5823057996 6.6367840408 6.6919791009 6.7478909800 6.8045196780 6.8618651950 6.9199275310 6.9787066860 7.0382026599 7.0984154527 7.1593450645 7.2209914953 7.2833547451 7.3464348138 7.4102317015 7.4747454081 7.5399759337 7.6059232783 7.6725874418 7.7399684243 7.8080662258 7.8768808462 7.9464122855 8.0166605439 8.0876256212 diff --git a/Mothur.xcodeproj/project.pbxproj b/Mothur.xcodeproj/project.pbxproj index b09bab4..2fce558 100644 --- a/Mothur.xcodeproj/project.pbxproj +++ b/Mothur.xcodeproj/project.pbxproj @@ -81,6 +81,7 @@ A7C7DAB915DA758B0059B0CF /* sffmultiplecommand.cpp in Sources */ = {isa = PBXBuildFile; fileRef = A7C7DAB815DA758B0059B0CF /* sffmultiplecommand.cpp */; }; A7CFA4311755401800D9ED4D /* renameseqscommand.cpp in Sources */ = {isa = PBXBuildFile; fileRef = A7CFA4301755401800D9ED4D /* renameseqscommand.cpp */; }; A7D755DA1535F679009BF21A /* treereader.cpp in Sources */ = {isa = PBXBuildFile; fileRef = A7D755D91535F679009BF21A /* treereader.cpp */; }; + A7D9378A17B146B5001E90B0 /* wilcox.cpp in Sources */ = {isa = PBXBuildFile; fileRef = A7D9378917B146B5001E90B0 /* wilcox.cpp */; }; A7E0243D15B4520A00A5F046 /* sparsedistancematrix.cpp in Sources */ = {isa = PBXBuildFile; fileRef = A7E0243C15B4520A00A5F046 /* sparsedistancematrix.cpp */; }; A7E6F69E17427D06006775E2 /* makelookupcommand.cpp in Sources */ = {isa = PBXBuildFile; fileRef = A7E6F69D17427D06006775E2 /* makelookupcommand.cpp */; }; A7E9B88112D37EC400DA6239 /* ace.cpp in Sources */ = {isa = PBXBuildFile; fileRef = A7E9B64F12D37EC300DA6239 /* ace.cpp */; }; @@ -545,6 +546,8 @@ A7CFA4301755401800D9ED4D /* renameseqscommand.cpp */ = {isa = PBXFileReference; fileEncoding = 4; lastKnownFileType = sourcecode.cpp.cpp; path = renameseqscommand.cpp; sourceTree = ""; }; A7D755D71535F665009BF21A /* treereader.h */ = {isa = PBXFileReference; fileEncoding = 4; lastKnownFileType = sourcecode.c.h; path = treereader.h; sourceTree = ""; }; A7D755D91535F679009BF21A /* treereader.cpp */ = {isa = PBXFileReference; fileEncoding = 4; lastKnownFileType = sourcecode.cpp.cpp; path = treereader.cpp; sourceTree = ""; }; + A7D9378917B146B5001E90B0 /* wilcox.cpp */ = {isa = PBXFileReference; fileEncoding = 4; lastKnownFileType = sourcecode.cpp.cpp; path = wilcox.cpp; sourceTree = ""; }; + A7D9378B17B15215001E90B0 /* wilcox.h */ = {isa = PBXFileReference; lastKnownFileType = sourcecode.c.h; path = wilcox.h; sourceTree = ""; }; A7DAAFA3133A254E003956EB /* commandparameter.h */ = {isa = PBXFileReference; fileEncoding = 4; lastKnownFileType = sourcecode.c.h; path = commandparameter.h; sourceTree = ""; }; A7E0243C15B4520A00A5F046 /* sparsedistancematrix.cpp */ = {isa = PBXFileReference; fileEncoding = 4; lastKnownFileType = sourcecode.cpp.cpp; path = sparsedistancematrix.cpp; sourceTree = ""; }; A7E0243F15B4522000A5F046 /* sparsedistancematrix.h */ = {isa = PBXFileReference; fileEncoding = 4; lastKnownFileType = sourcecode.c.h; path = sparsedistancematrix.h; sourceTree = ""; }; @@ -1199,6 +1202,8 @@ A7E9B73A12D37EC400DA6239 /* libshuff.h */, A7FC480C12D788F20055BC5C /* linearalgebra.h */, A7FC480D12D788F20055BC5C /* linearalgebra.cpp */, + A7D9378B17B15215001E90B0 /* wilcox.h */, + A7D9378917B146B5001E90B0 /* wilcox.cpp */, A7E9BA5612D39BD800DA6239 /* metastats */, A7E9B75B12D37EC400DA6239 /* mothur.cpp */, A7E9B75C12D37EC400DA6239 /* mothur.h */, @@ -2388,6 +2393,7 @@ A741744C175CD9B1007DF49B /* makelefsecommand.cpp in Sources */, A7190B221768E0DF00A9AFA6 /* lefsecommand.cpp in Sources */, A77916E8176F7F7600EEFE18 /* designmap.cpp in Sources */, + A7D9378A17B146B5001E90B0 /* wilcox.cpp in Sources */, ); runOnlyForDeploymentPostprocessing = 0; }; diff --git a/commandfactory.cpp b/commandfactory.cpp index 41a6729..6ceabbf 100644 --- a/commandfactory.cpp +++ b/commandfactory.cpp @@ -312,7 +312,7 @@ CommandFactory::CommandFactory(){ commands["get.dists"] = "get.dists"; commands["remove.dists"] = "remove.dists"; commands["merge.taxsummary"] = "merge.taxsummary"; - commands["get.metacommunity"] = "get.metacommunity"; + commands["get.communitytype"] = "get.communitytype"; commands["sparcc"] = "sparcc"; commands["make.lookup"] = "make.lookup"; commands["rename.seqs"] = "rename.seqs"; @@ -539,7 +539,7 @@ Command* CommandFactory::getCommand(string commandName, string optionString){ else if(commandName == "get.dists") { command = new GetDistsCommand(optionString); } else if(commandName == "remove.dists") { command = new RemoveDistsCommand(optionString); } else if(commandName == "merge.taxsummary") { command = new MergeTaxSummaryCommand(optionString); } - else if(commandName == "get.metacommunity") { command = new GetMetaCommunityCommand(optionString); } + else if(commandName == "get.communitytype") { command = new GetMetaCommunityCommand(optionString); } else if(commandName == "sparcc") { command = new SparccCommand(optionString); } else if(commandName == "make.lookup") { command = new MakeLookupCommand(optionString); } else if(commandName == "rename.seqs") { command = new RenameSeqsCommand(optionString); } @@ -707,7 +707,7 @@ Command* CommandFactory::getCommand(string commandName, string optionString, str else if(commandName == "get.dists") { pipecommand = new GetDistsCommand(optionString); } else if(commandName == "remove.dists") { pipecommand = new RemoveDistsCommand(optionString); } else if(commandName == "merge.taxsummary") { pipecommand = new MergeTaxSummaryCommand(optionString); } - else if(commandName == "get.metacommunity") { pipecommand = new GetMetaCommunityCommand(optionString); } + else if(commandName == "get.communitytype") { pipecommand = new GetMetaCommunityCommand(optionString); } else if(commandName == "sparcc") { pipecommand = new SparccCommand(optionString); } else if(commandName == "make.lookup") { pipecommand = new MakeLookupCommand(optionString); } else if(commandName == "rename.seqs") { pipecommand = new RenameSeqsCommand(optionString); } @@ -861,7 +861,7 @@ Command* CommandFactory::getCommand(string commandName){ else if(commandName == "get.dists") { shellcommand = new GetDistsCommand(); } else if(commandName == "remove.dists") { shellcommand = new RemoveDistsCommand(); } else if(commandName == "merge.taxsummary") { shellcommand = new MergeTaxSummaryCommand(); } - else if(commandName == "get.metacommunity") { shellcommand = new GetMetaCommunityCommand(); } + else if(commandName == "get.communitytype") { shellcommand = new GetMetaCommunityCommand(); } else if(commandName == "sparcc") { shellcommand = new SparccCommand(); } else if(commandName == "make.lookup") { shellcommand = new MakeLookupCommand(); } else if(commandName == "rename.seqs") { shellcommand = new RenameSeqsCommand(); } diff --git a/getmetacommunitycommand.cpp b/getmetacommunitycommand.cpp index ad069d0..8f78ca2 100644 --- a/getmetacommunitycommand.cpp +++ b/getmetacommunitycommand.cpp @@ -35,14 +35,14 @@ vector GetMetaCommunityCommand::setParameters(){ string GetMetaCommunityCommand::getHelpString(){ try { string helpString = ""; - helpString += "The get.metacommunity command parameters are shared, label, groups, minpartitions, maxpartitions, optimizegap and processors. The shared file is required. \n"; + helpString += "The get.communitytype command parameters are shared, label, groups, minpartitions, maxpartitions, optimizegap and processors. The shared file is required. \n"; helpString += "The label parameter is used to analyze specific labels in your input. labels are separated by dashes.\n"; helpString += "The groups parameter allows you to specify which of the groups in your shared file you would like analyzed. Group names are separated by dashes.\n"; helpString += "The minpartitions parameter is used to .... Default=5.\n"; helpString += "The maxpartitions parameter is used to .... Default=10.\n"; helpString += "The optimizegap parameter is used to .... Default=3.\n"; helpString += "The processors parameter allows you to specify number of processors to use. The default is 1.\n"; - helpString += "The get.metacommunity command should be in the following format: get.metacommunity(shared=yourSharedFile).\n"; + helpString += "The get.communitytype command should be in the following format: get.communitytype(shared=yourSharedFile).\n"; return helpString; } catch(exception& e) { @@ -324,7 +324,7 @@ int GetMetaCommunityCommand::createProcesses(vector& thislo } for (int i = 0; i < processors; i++) { //read from everyone elses, just write to yours - string tempDoneFile = toString(i) + ".done.temp"; + string tempDoneFile = m->getRootName(m->getSimpleName(sharedfile)) + toString(i) + ".done.temp"; doneFlags.push_back(tempDoneFile); ofstream out; m->openOutputFile(tempDoneFile, out); //clear out @@ -363,6 +363,7 @@ int GetMetaCommunityCommand::createProcesses(vector& thislo } //do my part + m->mothurOut("K\tNLE\t\tlogDet\tBIC\t\tAIC\t\tLaplace\n"); minPartition = processDriver(thislookup, dividedPartitions[0], outputFileName, rels[0], matrix[0], doneFlags, 0); //force parent to wait until all the processes are done @@ -486,10 +487,11 @@ int GetMetaCommunityCommand::createProcesses(vector& thislo delete pDataArray[i]; } */ //do my part + m->mothurOut("K\tNLE\t\tlogDet\tBIC\t\tAIC\t\tLaplace\n"); minPartition = processDriver(thislookup, dividedPartitions[0], outputFileName, rels[0], matrix[0], doneFlags, 0); #endif for (int i = 0; i < processors; i++) { //read from everyone elses, just write to yours - string tempDoneFile = toString(i) + ".done.temp"; + string tempDoneFile = m->getRootName(m->getSimpleName(sharedfile)) + toString(i) + ".done.temp"; m->mothurRemove(tempDoneFile); } @@ -524,9 +526,9 @@ int GetMetaCommunityCommand::processDriver(vector& thislook cout.setf(ios::showpoint); vector< vector > sharedMatrix; - for (int i = 0; i < thislookup.size(); i++) { sharedMatrix.push_back(thislookup[i]->getAbundances()); } + vector thisGroups; + for (int i = 0; i < thislookup.size(); i++) { sharedMatrix.push_back(thislookup[i]->getAbundances()); thisGroups.push_back(thislookup[i]->getGroup()); } - m->mothurOut("K\tNLE\t\tlogDet\tBIC\t\tAIC\t\tLaplace\n"); fitData << "K\tNLE\tlogDet\tBIC\tAIC\tLaplace" << endl; for(int i=0;i& thislook string matrixName = matrix[i]; outputNames.push_back(matrixName); outputTypes["matrix"].push_back(matrixName); - findQ.printZMatrix(matrixName, m->getGroups()); + findQ.printZMatrix(matrixName, thisGroups); findQ.printRelAbund(relabund, m->currentBinLabels); if(optimizegap != -1 && (numPartitions - minPartition) >= optimizegap && numPartitions >= minpartitions){ - string tempDoneFile = toString(processID) + ".done.temp"; + string tempDoneFile = m->getRootName(m->getSimpleName(sharedfile)) + toString(processID) + ".done.temp"; ofstream outDone; m->openOutputFile(tempDoneFile, outDone); outDone << minPartition << endl; diff --git a/getmetacommunitycommand.h b/getmetacommunitycommand.h index 65e5770..d7b163e 100644 --- a/getmetacommunitycommand.h +++ b/getmetacommunitycommand.h @@ -22,13 +22,13 @@ public: ~GetMetaCommunityCommand(){} vector setParameters(); - string getCommandName() { return "get.metacommunity"; } + string getCommandName() { return "get.communitytype"; } string getCommandCategory() { return "OTU-Based Approaches"; } string getOutputPattern(string); string getHelpString(); - string getCitation() { return "Holmes I, Harris K, Quince C (2012) Dirichlet Multinomial Mixtures: Generative Models for Microbial Metagenomics. PLoS ONE 7(2): e30126. doi:10.1371/journal.pone.0030126 http://www.mothur.org/wiki/Get.metacommunity"; } + string getCitation() { return "Holmes I, Harris K, Quince C (2012) Dirichlet Multinomial Mixtures: Generative Models for Microbial Metagenomics. PLoS ONE 7(2): e30126. doi:10.1371/journal.pone.0030126 http://www.mothur.org/wiki/get.communitytype"; } string getDescription() { return "Assigns samples to bins using a Dirichlet multinomial mixture model"; } int execute(); diff --git a/getoturepcommand.cpp b/getoturepcommand.cpp index dbd19a8..d476cc3 100644 --- a/getoturepcommand.cpp +++ b/getoturepcommand.cpp @@ -265,7 +265,11 @@ GetOTURepCommand::GetOTURepCommand(string option) { if (ct.hasGroupInfo()) { hasGroups = true; } } - + groupfile = validParameter.validFile(parameters, "group", true); + if (groupfile == "not open") { groupfile = ""; abort = true; } + else if (groupfile == "not found") { groupfile = ""; } + else { m->setGroupFile(groupfile); } + method = validParameter.validFile(parameters, "method", false); if (method == "not found"){ method = "distance"; } if ((method != "distance") && (method != "abundance")) { m->mothurOut(method + " is not a valid option for the method parameter. The only options are: distance and abundance, aborting."); m->mothurOutEndLine(); abort = true; @@ -337,11 +341,7 @@ GetOTURepCommand::GetOTURepCommand(string option) { else { allLines = 1; } } - groupfile = validParameter.validFile(parameters, "group", true); - if (groupfile == "not open") { groupfile = ""; abort = true; } - else if (groupfile == "not found") { groupfile = ""; } - else { m->setGroupFile(groupfile); } - + sorted = validParameter.validFile(parameters, "sorted", false); if (sorted == "not found"){ sorted = ""; } if (sorted == "none") { sorted=""; } if ((sorted != "") && (sorted != "name") && (sorted != "bin") && (sorted != "size") && (sorted != "group")) { diff --git a/lefsecommand.cpp b/lefsecommand.cpp index e894d57..c478a4d 100644 --- a/lefsecommand.cpp +++ b/lefsecommand.cpp @@ -373,17 +373,16 @@ vector LefseCommand::runKruskalWallis(vector& lookup, } } //********************************************************************************************************************** - +//assumes not neccessarily paired vector LefseCommand::runWilcoxon(vector& lookup, DesignMap& designMap, vector bins) { try { + LinearAlgebra linear; vector significantOtuLabels; //if it exists and meets the following requirements run Wilcoxon /* 1. Subclass members all belong to same main class - 2. Number of groups in each subclass is the same - 3. anything else?? - - */ + anything else + */ vector subclasses; map subclass2Class; map subclassCounts; @@ -411,12 +410,6 @@ vector LefseCommand::runWilcoxon(vector& lookup, Desig } if (error) { return significantOtuLabels; } - else { //check counts to make sure subclasses are the same size - set counts; - for (map::iterator it = subclassCounts.begin(); it != subclassCounts.end(); it++) { counts.insert(it->second); } - if (counts.size() > 1) { m->mothurOut("[ERROR]: subclasses must be the same size. Ignoring wilcoxon.\n"); - return significantOtuLabels; } - } int numBins = lookup[0]->getNumBins(); vector comp; @@ -444,7 +437,6 @@ vector LefseCommand::runWilcoxon(vector& lookup, Desig outputNames.push_back(outputFileName); outputTypes["wilcoxon"].push_back(outputFileName); out << "OTULabel\tComparision\tWilcoxon\tPvalue\n"; - LinearAlgebra linear; for (int i = 0; i < numBins; i++) { if (m->control_pressed) { break; } @@ -454,20 +446,26 @@ vector LefseCommand::runWilcoxon(vector& lookup, Desig //for each subclass comparision for (int j = 0; j < numComp; j++) { //fill x and y with this comparisons data - vector x; vector y; + vector x; vector y; + cout << m->currentBinLabels[i] << '\t' << comp[j].getCombo() << " x <- ("; //fill x and y vector xIndexes = subClass2GroupIndex[comp[j].group1]; //indexes in lookup for this subclass - for (int k = 0; k < xIndexes.size(); k++) { x.push_back(lookup[xIndexes[k]]->getAbundance(i)); } + for (int k = 0; k < xIndexes.size(); k++) { x.push_back(lookup[xIndexes[k]]->getAbundance(i)); cout << lookup[xIndexes[k]]->getAbundance(i) << ", "; } + cout << ")\n"; + + cout << m->currentBinLabels[i] << '\t' << comp[j].getCombo() << " y <- ("; vector yIndexes = subClass2GroupIndex[comp[j].group2]; //indexes in lookup for this subclass - for (int k = 0; k < yIndexes.size(); k++) { y.push_back(lookup[yIndexes[k]]->getAbundance(i)); } + for (int k = 0; k < yIndexes.size(); k++) { y.push_back(lookup[yIndexes[k]]->getAbundance(i)); cout << lookup[yIndexes[k]]->getAbundance(i) << ", ";} + cout << ")\n"; double pValue = 0.0; double H = linear.calcWilcoxon(x, y, pValue); //output H and signifigance - out << m->currentBinLabels[i] << '\t' << comp[j].getCombo() << '\t' << H << '\t' << pValue << endl; + if (!isnan(pValue)) { out << m->currentBinLabels[i] << '\t' << comp[j].getCombo() << '\t' << H << '\t' << pValue << endl; } + else { out << m->currentBinLabels[i] << '\t' << comp[j].getCombo() << '\t' << H << '\t' << "NA" << endl; } //set sig - not sure how yet } diff --git a/linearalgebra.cpp b/linearalgebra.cpp index e4eaf48..cd2ca03 100644 --- a/linearalgebra.cpp +++ b/linearalgebra.cpp @@ -8,6 +8,7 @@ */ #include "linearalgebra.h" +#include "wilcox.h" // This class references functions used from "Numerical Recipes in C++" // @@ -805,80 +806,7 @@ double LinearAlgebra::calcSpearman(vector< vector >& euclidDists, vector exit(1); } } -/*********************************************************************************************************************************/ -double LinearAlgebra::calcKruskalWallis(vector& values, double& pValue){ - try { - double H; - set treatments; - - //rank values - sort(values.begin(), values.end(), compareSpearman); - vector ties; - int rankTotal = 0; - vector TIES; - for (int j = 0; j < values.size(); j++) { - treatments.insert(values[j].name); - rankTotal += (j+1); - ties.push_back(&(values[j])); - - if (j != values.size()-1) { // you are not the last so you can look ahead - if (values[j].score != values[j+1].score) { // you are done with ties, rank them and continue - if (ties.size() > 1) { TIES.push_back(ties.size()); } - for (int k = 0; k < ties.size(); k++) { - double thisrank = rankTotal / (double) ties.size(); - (*ties[k]).score = thisrank; - } - ties.clear(); - rankTotal = 0; - } - }else { // you are the last one - if (ties.size() > 1) { TIES.push_back(ties.size()); } - for (int k = 0; k < ties.size(); k++) { - double thisrank = rankTotal / (double) ties.size(); - (*ties[k]).score = thisrank; - } - } - } - - - // H = 12/(N*(N+1)) * (sum Ti^2/n) - 3(N+1) - map sums; - map counts; - for (set::iterator it = treatments.begin(); it != treatments.end(); it++) { sums[*it] = 0.0; counts[*it] = 0; } - - for (int j = 0; j < values.size(); j++) { - sums[values[j].name] += values[j].score; - counts[values[j].name]+= 1.0; - } - - double middleTerm = 0.0; - for (set::iterator it = treatments.begin(); it != treatments.end(); it++) { - middleTerm += ((sums[*it]*sums[*it])/counts[*it]); - } - - double firstTerm = 12 / (double) (values.size()*(values.size()+1)); - double lastTerm = 3 * (values.size()+1); - - H = firstTerm * middleTerm - lastTerm; - - //adjust for ties - if (TIES.size() != 0) { - double sum = 0.0; - for (int j = 0; j < TIES.size(); j++) { sum += ((TIES[j]*TIES[j]*TIES[j])-TIES[j]); } - double result = 1.0 - (sum / (double) ((values.size()*values.size()*values.size())-values.size())); - H /= result; - } - - //Numerical Recipes pg221 - pValue = 1.0 - (gammp(((treatments.size()-1)/(double)2.0), H/2.0)); - - return H; - } - catch(exception& e) { - m->errorOut(e, "LinearAlgebra", "calcKruskalWallis"); - exit(1); - } -} + /*********************************************************************************************************************************/ //assumes both matrices are square and the same size double LinearAlgebra::calcKendall(vector< vector >& euclidDists, vector< vector >& userDists){ @@ -1302,40 +1230,143 @@ double LinearAlgebra::calcKendallSig(double n, double r){ } } /*********************************************************************************************************************************/ -double LinearAlgebra::calcWilcoxon(vector& x, vector& y, double& sig){ +double LinearAlgebra::calcKruskalWallis(vector& values, double& pValue){ try { - if (x.size() != y.size()) { m->mothurOut("[ERROR]: vector size mismatch."); m->mothurOutEndLine(); return 0.0; } - + double H; + set treatments; + + //rank values + sort(values.begin(), values.end(), compareSpearman); + vector ties; + int rankTotal = 0; + vector TIES; + for (int j = 0; j < values.size(); j++) { + treatments.insert(values[j].name); + rankTotal += (j+1); + ties.push_back(&(values[j])); + + if (j != values.size()-1) { // you are not the last so you can look ahead + if (values[j].score != values[j+1].score) { // you are done with ties, rank them and continue + if (ties.size() > 1) { TIES.push_back(ties.size()); } + for (int k = 0; k < ties.size(); k++) { + double thisrank = rankTotal / (double) ties.size(); + (*ties[k]).score = thisrank; + } + ties.clear(); + rankTotal = 0; + } + }else { // you are the last one + if (ties.size() > 1) { TIES.push_back(ties.size()); } + for (int k = 0; k < ties.size(); k++) { + double thisrank = rankTotal / (double) ties.size(); + (*ties[k]).score = thisrank; + } + } + } + + + // H = 12/(N*(N+1)) * (sum Ti^2/n) - 3(N+1) + map sums; + map counts; + for (set::iterator it = treatments.begin(); it != treatments.end(); it++) { sums[*it] = 0.0; counts[*it] = 0; } + + for (int j = 0; j < values.size(); j++) { + sums[values[j].name] += values[j].score; + counts[values[j].name]+= 1.0; + } + + double middleTerm = 0.0; + for (set::iterator it = treatments.begin(); it != treatments.end(); it++) { + middleTerm += ((sums[*it]*sums[*it])/counts[*it]); + } + + double firstTerm = 12 / (double) (values.size()*(values.size()+1)); + double lastTerm = 3 * (values.size()+1); + + H = firstTerm * middleTerm - lastTerm; + + //adjust for ties + if (TIES.size() != 0) { + double sum = 0.0; + for (int j = 0; j < TIES.size(); j++) { sum += ((TIES[j]*TIES[j]*TIES[j])-TIES[j]); } + double result = 1.0 - (sum / (double) ((values.size()*values.size()*values.size())-values.size())); + H /= result; + } + + //Numerical Recipes pg221 + pValue = 1.0 - (gammp(((treatments.size()-1)/(double)2.0), H/2.0)); + + return H; + } + catch(exception& e) { + m->errorOut(e, "LinearAlgebra", "calcKruskalWallis"); + exit(1); + } +} +/*********************************************************************************************************************************/ +//thanks http://www.johndcook.com/cpp_phi.html +double LinearAlgebra::pnorm(double x){ + try { + // constants + double a1 = 0.254829592; + double a2 = -0.284496736; + double a3 = 1.421413741; + double a4 = -1.453152027; + double a5 = 1.061405429; + double p = 0.3275911; + + // Save the sign of x + int sign = 1; + if (x < 0) + sign = -1; + x = fabs(x)/sqrt(2.0); + + // A&S formula 7.1.26 + double t = 1.0/(1.0 + p*x); + double y = 1.0 - (((((a5*t + a4)*t) + a3)*t + a2)*t + a1)*t*exp(-x*x); + + return 0.5*(1.0 + sign*y); + } + catch(exception& e) { + m->errorOut(e, "LinearAlgebra", "pnorm"); + exit(1); + } +} + +/*********************************************************************************************************************************/ +double LinearAlgebra::calcWilcoxon(vector& x, vector& y, double& sig){ + try { double W = 0.0; sig = 0.0; - vector signPairs; - vector absV; + vector ranks; for (int i = 0; i < x.size(); i++) { if (m->control_pressed) { return W; } - double temp = y[i]-x[i]; - double signV = sign(temp); - if (signV != 0) { // exclude zeros - spearmanRank member(toString(i), abs(temp)); - absV.push_back(member); - signPairs.push_back(signV); - } + spearmanRank member("x", x[i]); + ranks.push_back(member); + } + + for (int i = 0; i < y.size(); i++) { + if (m->control_pressed) { return W; } + spearmanRank member("y", y[i]); + ranks.push_back(member); } - //rank absV - //sort xscores - sort(absV.begin(), absV.end(), compareSpearman); + //sort values + sort(ranks.begin(), ranks.end(), compareSpearman); //convert scores to ranks of x vector ties; int rankTotal = 0; - for (int j = 0; j < absV.size(); j++) { + vector TIES; + for (int j = 0; j < ranks.size(); j++) { if (m->control_pressed) { return W; } rankTotal += (j+1); - ties.push_back(&(absV[j])); + ties.push_back(&(ranks[j])); - if (j != absV.size()-1) { // you are not the last so you can look ahead - if (absV[j].score != absV[j+1].score) { // you are done with ties, rank them and continue + if (j != ranks.size()-1) { // you are not the last so you can look ahead + if (ranks[j].score != ranks[j+1].score) { // you are done with ties, rank them and continue + if (ties.size() > 1) { TIES.push_back(ties.size()); } for (int k = 0; k < ties.size(); k++) { float thisrank = rankTotal / (float) ties.size(); (*ties[k]).score = thisrank; @@ -1344,30 +1375,95 @@ double LinearAlgebra::calcWilcoxon(vector& x, vector& y, double& rankTotal = 0; } }else { // you are the last one + if (ties.size() > 1) { TIES.push_back(ties.size()); } for (int k = 0; k < ties.size(); k++) { float thisrank = rankTotal / (float) ties.size(); (*ties[k]).score = thisrank; } } } - - //sum ranks times sign - for (int i = 0; i < absV.size(); i++) { + + //from R wilcox.test function + //STATISTIC <- sum(r[seq_along(x)]) - n.x * (n.x + 1)/2 + double sumRanks = 0.0; + for (int i = 0; i < ranks.size(); i++) { if (m->control_pressed) { return W; } - W += (absV[i].score*signPairs[i]); + if (ranks[i].name == "x") { sumRanks += ranks[i].score; } } - W = abs(W); - //find zScore - cout << "still need to find sig!!" << endl; + W = sumRanks - x.size() * ((double)(x.size() + 1)) / 2.0; - return W; + //exact <- (n.x < 50) && (n.y < 50) + bool findExact = false; + if ((x.size() < 50) && (y.size() < 50)) { findExact = true; } + + + if (findExact && (TIES.size() == 0)) { //find exact and no ties + //PVAL <- switch(alternative, two.sided = { + //p <- if (STATISTIC > (n.x * n.y/2)) + PWilcox wilcox; + double pval = 0.0; + if (W > ((double)x.size()*y.size()/2.0)) { + //pwilcox(STATISTIC-1, n.x, n.y, lower.tail = FALSE) + pval = wilcox.pwilcox(W-1, x.size(), y.size(), false); + }else { + //pwilcox(STATISTIC,n.x, n.y) + pval = wilcox.pwilcox(W, x.size(), y.size(), true); + } + sig = 2.0 * pval; + if (1.0 < sig) { sig = 1.0; } + }else { + //z <- STATISTIC - n.x * n.y/2 + double z = W - (double)(x.size() * y.size()/2.0); + //NTIES <- table(r) + double sum = 0.0; + for (int j = 0; j < TIES.size(); j++) { sum += ((TIES[j]*TIES[j]*TIES[j])-TIES[j]); } + + //SIGMA <- sqrt((n.x * n.y/12) * ((n.x + n.y + 1) - + //sum(NTIES^3 - NTIES)/((n.x + n.y) * (n.x + n.y - + //1)))) + double sigma = 0.0; + double firstTerm = (double)(x.size() * y.size()/12.0); + double secondTerm = (double)(x.size() + y.size() + 1) - sum / (double)((x.size() + y.size()) * (x.size() + y.size() - 1)); + sigma = sqrt(firstTerm * secondTerm); + + //CORRECTION <- switch(alternative, two.sided = sign(z) * 0.5, greater = 0.5, less = -0.5) + double CORRECTION = 0.0; + if (z < 0) { CORRECTION = -1.0; } + else if (z > 0) { CORRECTION = 1.0; } + CORRECTION *= 0.5; + + z = (z - CORRECTION)/sigma; + + //PVAL <- switch(alternative, two.sided = 2 * min(pnorm(z), pnorm(z, lower.tail = FALSE))) + sig = pnorm(z); + if ((1.0-sig) < sig) { sig = 1.0 - sig; } + sig *= 2; + } + + return W; } catch(exception& e) { m->errorOut(e, "LinearAlgebra", "calcWilcoxon"); exit(1); } } + +/*********************************************************************************************************************************/ +double LinearAlgebra::choose(double n, double k){ + try { + n = floor(n + 0.5); + k = floor(k + 0.5); + + double lchoose = gammln(n + 1.0) - gammln(k + 1.0) - gammln(n - k + 1.0); + + return (floor(exp(lchoose) + 0.5)); + } + catch(exception& e) { + m->errorOut(e, "LinearAlgebra", "choose"); + exit(1); + } +} /*********************************************************************************************************************************/ double LinearAlgebra::calcSpearman(vector& x, vector& y, double& sig){ try { @@ -1884,7 +1980,6 @@ void LinearAlgebra::lubksb(vector >& A, vector& index, vector } } - /*********************************************************************************************************************************/ vector > LinearAlgebra::getInverse(vector > matrix){ @@ -1919,5 +2014,3 @@ vector > LinearAlgebra::getInverse(vector > matrix exit(1); } } - -/*********************************************************************************************************************************/ diff --git a/linearalgebra.h b/linearalgebra.h index 5819ea8..3c86cb1 100644 --- a/linearalgebra.h +++ b/linearalgebra.h @@ -43,7 +43,7 @@ public: vector solveEquations(vector >, vector); vector solveEquations(vector >, vector); vector > getInverse(vector >); - + double choose(double, double); private: MothurOut* m; @@ -57,6 +57,7 @@ private: double gcf(double&, const double, const double, double&); double erfcc(double); double gammp(const double, const double); + double pnorm(double x); double ran0(int&); //for testing double ran1(int&); //for testing @@ -70,7 +71,8 @@ private: void ludcmp(vector >&, vector&, float&); void lubksb(vector >&, vector&, vector&); - + + }; diff --git a/metastatscommand.cpp b/metastatscommand.cpp index 9dff354..204d83e 100644 --- a/metastatscommand.cpp +++ b/metastatscommand.cpp @@ -214,6 +214,14 @@ int MetaStatsCommand::execute(){ try { if (abort == true) { if (calledHelp) { return 0; } return 2; } + + //just used to convert files to test metastats online + /****************************************************/ + bool convertInputToShared = false; + convertSharedToInput = false; + if (convertInputToShared) { convertToShared(sharedfile); return 0; } + /****************************************************/ + designMap = new GroupMap(designfile); designMap->readDesignMap(); @@ -463,7 +471,7 @@ int MetaStatsCommand::driver(int start, int num, vector& th for (int c = start; c < (start+num); c++) { //get set names - string setA = namesOfGroupCombos[c][0]; + string setA = namesOfGroupCombos[c][0]; string setB = namesOfGroupCombos[c][1]; //get filename @@ -517,6 +525,7 @@ int MetaStatsCommand::driver(int start, int num, vector& th m->mothurOut("Comparing " + setA + " and " + setB + "..."); m->mothurOutEndLine(); //metastat_main(output, thisLookUp[0]->getNumBins(), subset.size(), threshold, iters, data, setACount); + if (convertSharedToInput) { convertToInput(subset, outputFileName); } m->mothurOutEndLine(); MothurMetastats mothurMeta(threshold, iters); @@ -540,3 +549,117 @@ int MetaStatsCommand::driver(int start, int num, vector& th } } //********************************************************************************************************************** +/*Metastats files look like: + 13_0 14_0 13_52 14_52 70S 71S 72S M1 M2 M3 C11 C12 C21 C15 C16 C19 C3 C4 C9 + Alphaproteobacteria 0 0 0 0 0 0 5 0 0 0 0 0 0 0 0 0 0 0 0 + Mollicutes 0 0 2 0 0 59 5 11 4 1 0 2 8 1 0 1 0 3 0 + Verrucomicrobiae 0 0 0 0 0 1 6 0 0 0 0 0 0 0 0 0 0 0 0 + Deltaproteobacteria 0 0 0 0 0 6 1 0 1 0 1 1 7 0 0 0 0 0 0 + Cyanobacteria 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 + Epsilonproteobacteria 0 0 0 0 0 0 0 0 6 0 0 3 1 0 0 0 0 0 0 + Clostridia 75 65 207 226 801 280 267 210 162 197 81 120 106 148 120 94 84 98 121 + Bacilli 3 2 16 8 21 52 31 70 46 65 4 28 5 23 62 26 20 30 25 + Bacteroidetes (class) 21 25 22 64 226 193 296 172 98 55 19 149 201 85 50 76 113 92 82 + Gammaproteobacteria 0 0 0 0 0 1 0 0 0 0 1 1 0 0 0 1 0 0 0 + TM7_genera_incertae_sedis 0 0 0 0 0 0 0 0 1 0 1 2 0 2 0 0 0 0 0 + Actinobacteria (class) 1 1 1 2 0 0 0 9 3 7 1 1 1 3 1 2 1 2 3 + Betaproteobacteria 0 0 3 3 0 0 9 1 1 0 1 2 3 1 1 0 0 0 0 +*/ +//this function is just used to convert files to test the differences between the metastats version and mothurs version +int MetaStatsCommand::convertToShared(string filename) { + try { + ifstream in; + m->openInputFile(filename, in); + + string header = m->getline(in); m->gobble(in); + + vector groups = m->splitWhiteSpace(header); + vector newLookup; + for (int i = 0; i < groups.size(); i++) { + SharedRAbundVector* temp = new SharedRAbundVector(); + temp->setLabel("0.03"); + temp->setGroup(groups[i]); + newLookup.push_back(temp); + } + + int otuCount = 0; + while (!in.eof()) { + if (m->control_pressed) { break; } + + string otuname; + in >> otuname; m->gobble(in); + otuCount++; + + for (int i = 0; i < groups.size(); i++) { + int temp; + in >> temp; m->gobble(in); + newLookup[i]->push_back(temp, groups[i]); + } + m->gobble(in); + } + in.close(); + + ofstream out; + m->openOutputFile(filename+".shared", out); + + out << "label\tgroup\tnumOTUs\t"; + + string snumBins = toString(otuCount); + for (int i = 0; i < otuCount; i++) { + string binLabel = "Otu"; + string sbinNumber = toString(i+1); + if (sbinNumber.length() < snumBins.length()) { + int diff = snumBins.length() - sbinNumber.length(); + for (int h = 0; h < diff; h++) { binLabel += "0"; } + } + binLabel += sbinNumber; + out << binLabel << '\t'; + } + out << endl; + + for (int i = 0; i < groups.size(); i++) { + out << "0.03" << '\t' << groups[i] << '\t'; + newLookup[i]->print(out); + } + out.close(); + + cout << filename+".shared" << endl; + + return 0; + } + catch(exception& e) { + m->errorOut(e, "MetaStatsCommand", "convertToShared"); + exit(1); + } +} +//********************************************************************************************************************** + +int MetaStatsCommand::convertToInput(vector& subset, string thisfilename) { + try { + ofstream out; + m->openOutputFile(thisfilename+".matrix", out); + + out << "\t"; + for (int i = 0; i < subset.size()-1; i++) { + out << subset[i]->getGroup() << '\t'; + } + out << subset[subset.size()-1]->getGroup() << endl; + + for (int i = 0; i < subset[0]->getNumBins(); i++) { + out << m->currentBinLabels[i] << '\t'; + for (int j = 0; j < subset.size()-1; j++) { + out << subset[j]->getAbundance(i) << '\t'; + } + out << subset[subset.size()-1]->getAbundance(i) << endl; + } + out.close(); + + return 0; + } + catch(exception& e) { + m->errorOut(e, "MetaStatsCommand", "convertToInput"); + exit(1); + } +} + +//********************************************************************************************************************** diff --git a/metastatscommand.h b/metastatscommand.h index 12e0aeb..82a2cd4 100644 --- a/metastatscommand.h +++ b/metastatscommand.h @@ -56,6 +56,9 @@ private: int process(vector&); int driver(int, int, vector&); + int convertToShared(string filename); + int convertToInput(vector&, string); + bool convertSharedToInput; }; /**************************************************************************************************/ diff --git a/mothurmetastats.cpp b/mothurmetastats.cpp index 5678973..4715de9 100644 --- a/mothurmetastats.cpp +++ b/mothurmetastats.cpp @@ -31,7 +31,7 @@ int MothurMetastats::runMetastats(string outputFileName, vector< vector try { row = data.size(); //numBins column = data[0].size(); //numGroups in subset - secondGroupingStart = secGroupingStart; //g + secondGroupingStart = secGroupingStart; //g number of samples in group 1 vector< vector > Pmatrix; Pmatrix.resize(row); for (int i = 0; i < row; i++) { Pmatrix[i].resize(column, 0.0); } // the relative proportion matrix @@ -58,7 +58,6 @@ int MothurMetastats::runMetastats(string outputFileName, vector< vector for (int i = 0; i < column; i++) { for (int j = 0; j < row; j++) { Pmatrix[j][i] = data[j][i]/totals[i]; - } } @@ -70,7 +69,7 @@ int MothurMetastats::runMetastats(string outputFileName, vector< vector //#************************************************************ //# generate p values fisher's exact test //#************************************************************ - double total1, total2; + double total1, total2; total1 = 0; total2 = 0; //total for first grouping for (int i = 0; i < secondGroupingStart; i++) { total1 += totals[i]; } @@ -139,13 +138,20 @@ int MothurMetastats::runMetastats(string outputFileName, vector< vector T_statistics[i] = xbar_diff/denom; // calculate two sample t-statistic } - /*for (int i = 0; i < row; i++) { + /*for (int i = 0; i < row; i++) { for (int j = 0; j < 3; j++) { cout << "C1[" << i+1 << "," << j+1 << "]=" << C1[i][j] << ";" << endl; cout << "C2[" << i+1 << "," << j+1 << "]=" << C2[i][j] << ";" << endl; } cout << "T_statistics[" << i+1 << "]=" << T_statistics[i] << ";" << endl; + } + + for (int i = 0; i < row; i++) { + for (int j = 0; j < column; j++) { + cout << "Fmatrix[" << i+1 << "," << j+1 << "]=" << data[i][j] << ";" << endl; + } }*/ + //#************************************* //# generate initial permuted p-values //#************************************* @@ -155,12 +161,12 @@ int MothurMetastats::runMetastats(string outputFileName, vector< vector //# generate p values for sparse data //# using fisher's exact test //#************************************* - double total1, total2; + double total1, total2; total1 = 0; total2 = 0; //total for first grouping - for (int i = 0; i < secondGroupingStart; i++) { total1 += totals[i]; } + for (int i = 0; i < secondGroupingStart; i++) { total1 += totals[i]; } //total for second grouping - for (int i = secondGroupingStart; i < column; i++) { total2 += totals[i]; } + for (int i = secondGroupingStart; i < column; i++) { total2 += totals[i]; } vector fish; fish.resize(row, 0.0); vector fish2; fish2.resize(row, 0.0); @@ -169,8 +175,9 @@ int MothurMetastats::runMetastats(string outputFileName, vector< vector for(int j = 0; j < secondGroupingStart; j++) { fish[i] += data[i][j]; } for(int j = secondGroupingStart; j < column; j++) { fish2[i] += data[i][j]; } - - if ((fish[1] < secondGroupingStart) && (fish2[i] < (column-secondGroupingStart))) { + + if ((fish[i] < secondGroupingStart) && (fish2[i] < (column-secondGroupingStart))) { + double f11, f12, f21, f22; f11 = fish[i]; f12 = fish2[i]; @@ -269,7 +276,7 @@ vector MothurMetastats::permuted_pvalues(vector< vector >& Imatr for (int j = 0; j < numPermutations; j++) { cleanedpermuted_ttests[j].push_back(permuted_ttests[j][i]); } } } - + //#now for each taxa for (int i = 0; i < row; i++) { //number of cleanedpermuted_ttests greater than tstat[i] @@ -304,7 +311,11 @@ vector MothurMetastats::permute_and_calc_ts(vector< vector >& Im vector< vector > permutedMatrix = Imatrix; //randomize columns, ie group abundances. - for (int i = 0; i < permutedMatrix.size(); i++) { random_shuffle(permutedMatrix[i].begin(), permutedMatrix[i].end()); } + map randomMap; + vector randoms; + for (int i = 0; i < column; i++) { randoms.push_back(i); } + random_shuffle(randoms.begin(), randoms.end()); + for (int i = 0; i < randoms.size(); i++) { randomMap[i] = randoms[i]; } //calc ts vector< vector > C1; C1.resize(row); @@ -319,16 +330,16 @@ vector MothurMetastats::permute_and_calc_ts(vector< vector >& Im for(int i = 0; i < row; i++){ // for each taxa //# find the mean of each group double g1Total = 0.0; double g2Total = 0.0; - for (int j = 0; j < secondGroupingStart; j++) { g1Total += permutedMatrix[i][j]; } + for (int j = 0; j < secondGroupingStart; j++) { g1Total += permutedMatrix[i][randomMap[j]]; } C1[i][0] = g1Total/(double)(secondGroupingStart); - for (int j = secondGroupingStart; j < column; j++) { g2Total += permutedMatrix[i][j]; } + for (int j = secondGroupingStart; j < column; j++) { g2Total += permutedMatrix[i][randomMap[j]]; } C2[i][0] = g2Total/(double)(column-secondGroupingStart); //# find the variance of each group double g1Var = 0.0; double g2Var = 0.0; - for (int j = 0; j < secondGroupingStart; j++) { g1Var += pow((permutedMatrix[i][j]-C1[i][0]), 2); } + for (int j = 0; j < secondGroupingStart; j++) { g1Var += pow((permutedMatrix[i][randomMap[j]]-C1[i][0]), 2); } C1[i][1] = g1Var/(double)(secondGroupingStart-1); - for (int j = secondGroupingStart; j < column; j++) { g2Var += pow((permutedMatrix[i][j]-C2[i][0]), 2); } + for (int j = secondGroupingStart; j < column; j++) { g2Var += pow((permutedMatrix[i][randomMap[j]]-C2[i][0]), 2); } C2[i][1] = g2Var/(double)(column-secondGroupingStart-1); //# find the std error of each group -std err^2 (will change to std err at end) @@ -336,6 +347,8 @@ vector MothurMetastats::permute_and_calc_ts(vector< vector >& Im C2[i][2] = C2[i][1]/(double)(column-secondGroupingStart); } + + //#************************************* //# two sample t-statistics //#************************************* @@ -356,14 +369,7 @@ vector MothurMetastats::permute_and_calc_ts(vector< vector >& Im /***********************************************************/ vector MothurMetastats::calc_qvalues(vector& pValues) { try { - - /* cout << "x <- c(" << pValues[0]; - for (int l = 1; l < pValues.size(); l++){ - cout << ", " << pValues[l]; - } - cout << ")\n";*/ - - int numRows = pValues.size(); + int numRows = pValues.size(); vector qvalues(numRows, 0.0); //fill lambdas with 0.00, 0.01, 0.02... 0.95 @@ -378,7 +384,8 @@ vector MothurMetastats::calc_qvalues(vector& pValues) { for (int i = 0; i < numRows; i++){ // for each p-value in order if (pValues[i] > lambdas[l]){ count++; } } - pi0_hat[l] = count/(double)(numRows*(1-lambdas[l])); + pi0_hat[l] = count/(double)(numRows*(1.0-lambdas[l])); + //cout << lambdas[l] << '\t' << count << '\t' << numRows*(1.0-lambdas[l]) << '\t' << pi0_hat[l] << endl; } double pi0 = smoothSpline(lambdas, pi0_hat, 3); diff --git a/mothurmetastats.h b/mothurmetastats.h index 4d6cf91..c707b64 100644 --- a/mothurmetastats.h +++ b/mothurmetastats.h @@ -26,8 +26,8 @@ class MothurMetastats { int row, column, numPermutations, secondGroupingStart; double threshold; - vector permuted_pvalues(vector< vector >&, vector&, vector< vector >&); - vector permute_and_calc_ts(vector< vector >&); + vector permuted_pvalues(vector< vector >&, vector&, vector< vector >&); + vector permute_and_calc_ts(vector< vector >&); int start(vector&, int, vector&, vector< vector >&); //Find the initial values for the matrix int meanvar(vector&, int, vector&); diff --git a/mothurout.cpp b/mothurout.cpp index 1f1c96b..bfd1cc1 100644 --- a/mothurout.cpp +++ b/mothurout.cpp @@ -588,6 +588,26 @@ int MothurOut::openOutputFileAppend(string fileName, ofstream& fileHandle){ exit(1); } } +/***********************************************************************/ +int MothurOut::openOutputFileBinaryAppend(string fileName, ofstream& fileHandle){ + try { + fileName = getFullPathName(fileName); + + fileHandle.open(fileName.c_str(), ios::app | ios::binary); + if(!fileHandle) { + mothurOut("[ERROR]: Could not open " + fileName); mothurOutEndLine(); + return 1; + } + else { + return 0; + } + } + catch(exception& e) { + errorOut(e, "MothurOut", "openOutputFileAppend"); + exit(1); + } +} + /***********************************************************************/ void MothurOut::gobble(istream& f){ try { @@ -1194,7 +1214,48 @@ int MothurOut::openOutputFile(string fileName, ofstream& fileHandle){ } } +/***********************************************************************/ +int MothurOut::openOutputFileBinary(string fileName, ofstream& fileHandle){ + try { + + string completeFileName = getFullPathName(fileName); +#if defined (__APPLE__) || (__MACH__) || (linux) || (__linux) || (__linux__) || (__unix__) || (__unix) +#ifdef USE_COMPRESSION + // check for gzipped file + if (endsWith(completeFileName, ".gz") || endsWith(completeFileName, ".bz2")) { + string tempName = string(tmpnam(0)); + mkfifo(tempName.c_str(), 0666); + cerr << "Compressing " << completeFileName << " via temporary named pipe " << tempName << "\n"; + int fork_result = fork(); + if (fork_result < 0) { + cerr << "Error forking.\n"; + exit(1); + } else if (fork_result == 0) { + string command = string(endsWith(completeFileName, ".gz") ? "gzip" : "bzip2") + " -v > " + completeFileName + string(" < ") + tempName; + system(command.c_str()); + exit(0); + } else { + completeFileName = tempName; + } + } +#endif +#endif + fileHandle.open(completeFileName.c_str(), ios::trunc | ios::binary); + if(!fileHandle) { + mothurOut("[ERROR]: Could not open " + completeFileName); mothurOutEndLine(); + return 1; + } + else { + return 0; + } + } + catch(exception& e) { + errorOut(e, "MothurOut", "openOutputFileBinary"); + exit(1); + } + +} /**************************************************************************************************/ int MothurOut::appendFiles(string temp, string filename) { try{ @@ -1841,6 +1902,7 @@ int MothurOut::readTax(string namefile, map& taxMap) { bool pairDone = false; bool columnOne = true; string firstCol, secondCol; + bool error = false; while (!in.eof()) { if (control_pressed) { break; } @@ -1865,7 +1927,7 @@ int MothurOut::readTax(string namefile, map& taxMap) { if (!ignore) { taxMap[firstCol] = secondCol; } if (debug) { mothurOut("[DEBUG]: name = '" + firstCol + "' tax = '" + secondCol + "'\n"); } }else { - mothurOut("[ERROR]: " + firstCol + " is already in your taxonomy file, names must be unique./n"); control_pressed = true; + mothurOut("[ERROR]: " + firstCol + " is already in your taxonomy file, names must be unique.\n"); error = true; } pairDone = false; } @@ -1893,7 +1955,7 @@ int MothurOut::readTax(string namefile, map& taxMap) { if (!ignore) { taxMap[firstCol] = secondCol; } if (debug) { mothurOut("[DEBUG]: name = '" + firstCol + "' tax = '" + secondCol + "'\n"); } }else { - mothurOut("[ERROR]: " + firstCol + " is already in your taxonomy file, names must be unique./n"); control_pressed = true; + mothurOut("[ERROR]: " + firstCol + " is already in your taxonomy file, names must be unique./n"); error = true; } pairDone = false; @@ -1901,6 +1963,8 @@ int MothurOut::readTax(string namefile, map& taxMap) { } } + if (error) { control_pressed = true; } + if (debug) { mothurOut("[DEBUG]: numSeqs saved = '" + toString(taxMap.size()) + "'\n"); } return taxMap.size(); } diff --git a/mothurout.h b/mothurout.h index 77b1b6d..3cf6fa4 100644 --- a/mothurout.h +++ b/mothurout.h @@ -93,7 +93,9 @@ class MothurOut { string getRootName(string); bool isBlank(string); int openOutputFile(string, ofstream&); + int openOutputFileBinary(string, ofstream&); int openOutputFileAppend(string, ofstream&); + int openOutputFileBinaryAppend(string, ofstream&); int openInputFile(string, ifstream&); int openInputFile(string, ifstream&, string); //no error given string getline(ifstream&); diff --git a/removeotulabelscommand.cpp b/removeotulabelscommand.cpp index 148758a..fa98b86 100644 --- a/removeotulabelscommand.cpp +++ b/removeotulabelscommand.cpp @@ -234,6 +234,8 @@ int RemoveOtuLabelsCommand::execute(){ //get labels you want to keep labels = m->readAccnos(accnosfile); + + if (m->debug) { m->mothurOut("[DEBUG]: numlabels = " + toString(labels.size()) + "\n"); } if (m->control_pressed) { return 0; } @@ -289,7 +291,7 @@ int RemoveOtuLabelsCommand::readClassifyOtu(){ int removedCount = 0; //read headers - string headers = m->getline(in); + string headers = m->getline(in); m->gobble(in); out << headers << endl; while (!in.eof()) { @@ -301,6 +303,8 @@ int RemoveOtuLabelsCommand::readClassifyOtu(){ in >> otu >> size >> tax; m->gobble(in); + if (m->debug) { m->mothurOut("[DEBUG]: " + otu + toString(size) + tax + "\n"); } + if (labels.count(otu) == 0) { wroteSomething = true; out << otu << '\t' << size << '\t' << tax << endl; @@ -341,7 +345,7 @@ int RemoveOtuLabelsCommand::readOtuAssociation(){ int removedCount = 0; //read headers - string headers = m->getline(in); + string headers = m->getline(in); m->gobble(in); out << headers << endl; while (!in.eof()) { @@ -395,7 +399,7 @@ int RemoveOtuLabelsCommand::readCorrAxes(){ int removedCount = 0; //read headers - string headers = m->getline(in); + string headers = m->getline(in); m->gobble(in); out << headers << endl; while (!in.eof()) { diff --git a/sffinfocommand.cpp b/sffinfocommand.cpp index 24397a6..c80ac2e 100644 --- a/sffinfocommand.cpp +++ b/sffinfocommand.cpp @@ -646,7 +646,7 @@ int SffInfoCommand::readCommonHeader(ifstream& in, CommonHeader& header){ char buffer3 [4]; in.read(buffer3, 4); header.indexLength = be_int4(*(unsigned int *)(&buffer3)); - + //read num reads char buffer4 [4]; in.read(buffer4, 4); @@ -741,9 +741,19 @@ int SffInfoCommand::adjustCommonHeader(CommonHeader header){ in.read(mybuffer,8); for (int i = 0; i < filehandlesHeaders.size(); i++) { for (int j = 0; j < filehandlesHeaders[i].size(); j++) { + unsigned long long offset = 0; + char* thisbuffer = new char[8]; + thisbuffer[0] = (offset >> 56) & 0xFF; + thisbuffer[1] = (offset >> 48) & 0xFF; + thisbuffer[2] = (offset >> 40) & 0xFF; + thisbuffer[3] = (offset >> 32) & 0xFF; + thisbuffer[4] = (offset >> 24) & 0xFF; + thisbuffer[5] = (offset >> 16) & 0xFF; + thisbuffer[6] = (offset >> 8) & 0xFF; + thisbuffer[7] = offset & 0xFF; ofstream out; m->openOutputFileAppend(filehandlesHeaders[i][j], out); - out.write(mybuffer, in.gcount()); + out.write(thisbuffer, 8); out.close(); } } @@ -757,7 +767,13 @@ int SffInfoCommand::adjustCommonHeader(CommonHeader header){ for (int j = 0; j < filehandlesHeaders[i].size(); j++) { ofstream out; m->openOutputFileAppend(filehandlesHeaders[i][j], out); - out.write(mybuffer, in.gcount()); + int offset = 0; + char* thisbuffer = new char[4]; + thisbuffer[0] = (offset >> 24) & 0xFF; + thisbuffer[1] = (offset >> 16) & 0xFF; + thisbuffer[2] = (offset >> 8) & 0xFF; + thisbuffer[3] = offset & 0xFF; + out.write(thisbuffer, 4); out.close(); } } @@ -871,7 +887,7 @@ int SffInfoCommand::adjustCommonHeader(CommonHeader header){ for (int i = 0; i < filehandlesHeaders.size(); i++) { for (int j = 0; j < filehandlesHeaders[i].size(); j++) { ofstream out; - m->openOutputFileAppend(filehandlesHeaders[i][j], out); + m->openOutputFileBinaryAppend(filehandlesHeaders[i][j], out); out.write(mybuffer, spot-spotInFile); out.close(); } @@ -989,7 +1005,7 @@ int SffInfoCommand::readSeqData(ifstream& in, seqRead& read, int numFlowReads, H char * mybuffer; mybuffer = new char [spot-startSpotInFile]; ifstream in2; - m->openInputFile(currentFileName, in2); + in2.open(currentFileName.c_str(), ios::binary); in2.seekg(startSpotInFile); in2.read(mybuffer,spot-startSpotInFile); in2.close(); @@ -999,7 +1015,7 @@ int SffInfoCommand::readSeqData(ifstream& in, seqRead& read, int numFlowReads, H if(trashCodeLength == 0){ ofstream out; - m->openOutputFileAppend(filehandles[barcodeIndex][primerIndex], out); + m->openOutputFileBinaryAppend(filehandles[barcodeIndex][primerIndex], out); out.write(mybuffer, in2.gcount()); out.close(); delete[] mybuffer; @@ -1007,7 +1023,7 @@ int SffInfoCommand::readSeqData(ifstream& in, seqRead& read, int numFlowReads, H } else{ ofstream out; - m->openOutputFileAppend(noMatchFile, out); + m->openOutputFileBinaryAppend(noMatchFile, out); out.write(mybuffer, in2.gcount()); out.close(); delete[] mybuffer; diff --git a/sffmultiplecommand.cpp b/sffmultiplecommand.cpp index 00f23ed..d8a4b96 100644 --- a/sffmultiplecommand.cpp +++ b/sffmultiplecommand.cpp @@ -291,8 +291,18 @@ SffMultipleCommand::SffMultipleCommand(string option) { keepforward = m->isTrue(temp); temp = validParameter.validFile(parameters, "lookup", true); - if (temp == "not found") { - lookupFileName = "LookUp_Titanium.pat"; + if (temp == "not found") { + string path = m->argv; + string tempPath = path; + for (int i = 0; i < path.length(); i++) { tempPath[i] = tolower(path[i]); } + path = path.substr(0, (tempPath.find_last_of('m'))); + +#if defined (__APPLE__) || (__MACH__) || (linux) || (__linux) || (__linux__) || (__unix__) || (__unix) + path += "lookupFiles/"; +#else + path += "lookupFiles\\"; +#endif + lookupFileName = m->getFullPathName(path) + "LookUp_Titanium.pat"; int ableToOpen; ifstream in; @@ -302,7 +312,7 @@ SffMultipleCommand::SffMultipleCommand(string option) { //if you can't open it, try input location if (ableToOpen == 1) { if (inputDir != "") { //default path is set - string tryPath = inputDir + lookupFileName; + string tryPath = inputDir + m->getSimpleName(lookupFileName); m->mothurOut("Unable to open " + lookupFileName + ". Trying input directory " + tryPath); m->mothurOutEndLine(); ifstream in2; ableToOpen = m->openInputFile(tryPath, in2, "noerror"); @@ -350,7 +360,7 @@ SffMultipleCommand::SffMultipleCommand(string option) { for (int i = 0; i < exepath.length(); i++) { tempPath[i] = tolower(exepath[i]); } exepath = exepath.substr(0, (tempPath.find_last_of('m'))); - string tryPath = m->getFullPathName(exepath) + lookupFileName; + string tryPath = m->getFullPathName(exepath) + m->getSimpleName(lookupFileName); m->mothurOut("Unable to open " + lookupFileName + ". Trying mothur's executable location " + tryPath); m->mothurOutEndLine(); ifstream in2; int ableToOpen = m->openInputFile(tryPath, in2, "noerror"); diff --git a/shhhercommand.cpp b/shhhercommand.cpp index 9bd437a..a20679a 100644 --- a/shhhercommand.cpp +++ b/shhhercommand.cpp @@ -266,7 +266,17 @@ ShhherCommand::ShhherCommand(string option) { string temp; temp = validParameter.validFile(parameters, "lookup", true); if (temp == "not found") { - lookupFileName = "LookUp_Titanium.pat"; + string path = m->argv; + string tempPath = path; + for (int i = 0; i < path.length(); i++) { tempPath[i] = tolower(path[i]); } + path = path.substr(0, (tempPath.find_last_of('m'))); + +#if defined (__APPLE__) || (__MACH__) || (linux) || (__linux) || (__linux__) || (__unix__) || (__unix) + path += "lookupFiles/"; +#else + path += "lookupFiles\\"; +#endif + lookupFileName = m->getFullPathName(path) + "LookUp_Titanium.pat"; int ableToOpen; ifstream in; @@ -276,7 +286,7 @@ ShhherCommand::ShhherCommand(string option) { //if you can't open it, try input location if (ableToOpen == 1) { if (inputDir != "") { //default path is set - string tryPath = inputDir + lookupFileName; + string tryPath = inputDir + m->getSimpleName(lookupFileName); m->mothurOut("Unable to open " + lookupFileName + ". Trying input directory " + tryPath); m->mothurOutEndLine(); ifstream in2; ableToOpen = m->openInputFile(tryPath, in2, "noerror"); @@ -324,7 +334,7 @@ ShhherCommand::ShhherCommand(string option) { for (int i = 0; i < exepath.length(); i++) { tempPath[i] = tolower(exepath[i]); } exepath = exepath.substr(0, (tempPath.find_last_of('m'))); - string tryPath = m->getFullPathName(exepath) + lookupFileName; + string tryPath = m->getFullPathName(exepath) + m->getSimpleName(lookupFileName); m->mothurOut("Unable to open " + lookupFileName + ". Trying mothur's executable location " + tryPath); m->mothurOutEndLine(); ifstream in2; int ableToOpen = m->openInputFile(tryPath, in2, "noerror"); diff --git a/wilcox.cpp b/wilcox.cpp new file mode 100644 index 0000000..905299e --- /dev/null +++ b/wilcox.cpp @@ -0,0 +1,233 @@ +// +// wilcox.cpp +// Mothur +// +// Created by SarahsWork on 8/6/13. +// Copyright (c) 2013 Schloss Lab. All rights reserved. +// +// Modified to avoid using Rmath.h + +#include "mothur.h" + +/* + Mathlib : A C Library of Special Functions + Copyright (C) 1999-2012 The R Core Team + + This program is free software; you can redistribute it and/or modify + it under the terms of the GNU General Public License as published by + the Free Software Foundation; either version 2 of the License, or (at + your option) any later version. + + This program is distributed in the hope that it will be useful, but + WITHOUT ANY WARRANTY; without even the implied warranty of + MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + General Public License for more details. + + You should have received a copy of the GNU General Public License + along with this program; if not, a copy is available at + http://www.r-project.org/Licenses/ + + SYNOPSIS + + #include + double dwilcox(double x, double m, double n, int give_log) + double pwilcox(double x, double m, double n, int lower_tail, int log_p) + double qwilcox(double x, double m, double n, int lower_tail, int log_p); + double rwilcox(double m, double n) + + DESCRIPTION + + dwilcox The density of the Wilcoxon distribution. + pwilcox The distribution function of the Wilcoxon distribution. + qwilcox The quantile function of the Wilcoxon distribution. + rwilcox Random variates from the Wilcoxon distribution. + + */ + +/* + Note: the checks here for R_CheckInterrupt also do stack checking. + + calloc/free are remapped for use in R, so allocation checks are done there. + freeing is completed by an on.exit action in the R wrappers. + */ +#include "wilcox.h" + +#define WILCOX_MAX 50 +#define give_log log_p +#define R_D__0 (log_p ? 1 : 0.) /* 0 */ +#define R_D__1 (log_p ? 0. : 1.) /* 1 */ +#define R_DT_0 (lower_tail ? R_D__0 : R_D__1) /* 0 */ +#define R_DT_1 (lower_tail ? R_D__1 : R_D__0) /* 1 */ +#define R_D_val(x) (log_p ? log(x) : (x)) /* x in pF(x,..) */ +#define R_D_Clog(p) (log_p ? log1p(-(p)) : (0.5 - (p) + 0.5)) /* [log](1-p) */ +#define R_DT_val(x) (lower_tail ? R_D_val(x) : R_D_Clog(x)) + +/*********************************************************************************************************************************/ +//Numerical Recipes pg. 219 +double PWilcox::gammln(const double xx) { + try { + int j; + double x,y,tmp,ser; + static const double cof[6]={76.18009172947146,-86.50532032941677,24.01409824083091, + -1.231739572450155,0.120858003e-2,-0.536382e-5}; + + y=x=xx; + tmp=x+5.5; + tmp -= (x+0.5)*log(tmp); + ser=1.0; + for (j=0;j<6;j++) { + ser += cof[j]/++y; + } + return -tmp+log(2.5066282746310005*ser/x); + } + catch(exception& e) { + mout->errorOut(e, "PWilcox", "gammln"); + exit(1); + } +} +/*********************************************************************************************************************************/ +double PWilcox::choose(double n, double k){ + try { + n = floor(n + 0.5); + k = floor(k + 0.5); + + double lchoose = gammln(n + 1.0) - gammln(k + 1.0) - gammln(n - k + 1.0); + + return (floor(exp(lchoose) + 0.5)); + } + catch(exception& e) { + mout->errorOut(e, "PWilcox", "choose"); + exit(1); + } +} +/*********************************************************************************************************************************/ + +/* This counts the number of choices with statistic = k */ +double PWilcox::cwilcox(int k, int m, int n, double*** w) { + try { + int c, u, i, j, l; + + if (mout->control_pressed) { return 0; } + + u = m * n; + if (k < 0 || k > u) + return(0); + c = (int)(u / 2); + if (k > c) + k = u - k; /* hence k <= floor(u / 2) */ + if (m < n) { + i = m; j = n; + } else { + i = n; j = m; + } /* hence i <= j */ + + if (j == 0) /* and hence i == 0 */ + return (k == 0); + + + /* We can simplify things if k is small. Consider the Mann-Whitney + definition, and sort y. Then if the statistic is k, no more + than k of the y's can be <= any x[i], and since they are sorted + these can only be in the first k. So the count is the same as + if there were just k y's. + */ + if (j > 0 && k < j) return cwilcox(k, i, k, w); + + if (w[i][j] == 0) { + w[i][j] = (double *) calloc((size_t) c + 1, sizeof(double)); + + for (l = 0; l <= c; l++) + w[i][j][l] = -1; + } + if (w[i][j][k] < 0) { + if (j == 0) /* and hence i == 0 */ + w[i][j][k] = (k == 0); + else + w[i][j][k] = cwilcox(k - j, i - 1, j, w) + cwilcox(k, i, j - 1, w); + + } + return(w[i][j][k]); + } + catch(exception& e) { + mout->errorOut(e, "PWilcox", "cwilcox"); + exit(1); + } +} +/*********************************************************************************************************************************/ + +/* args have the same meaning as R function pwilcox */ +double PWilcox::pwilcox(double q, double m, double n, bool lower_tail){ + try { + int i; + double c, p; + bool log_p = false; + double*** w; + + + if (isnan(m) || isnan(n)) + {return 0;} + m = floor(m + 0.5); + n = floor(n + 0.5); + if (m <= 0 || n <= 0) {return 0;} + + q = floor(q + 1e-7); + + if (q < 0.0) + return(R_DT_0); + if (q >= m * n) + return(R_DT_1); + + int mm = (int) m, nn = (int) n; + + if (mout->control_pressed) { return 0; } + //w_init_maybe(mm, nn); + /********************************************/ + int thisi; + if (mm > nn) { thisi = nn; nn = mm; mm = thisi; } + + mm = max(mm, 50); + nn = max(nn, 50); + w = (double ***) calloc((size_t) mm + 1, sizeof(double **)); + + for (thisi = 0; thisi <= mm; thisi++) { + w[thisi] = (double **) calloc((size_t) nn + 1, sizeof(double *)); + } + allocated_m = m; allocated_n = n; + /********************************************/ + + c = choose(m + n, n); + p = 0; + /* Use summation of probs over the shorter range */ + if (q <= (m * n / 2)) { + for (i = 0; i <= q; i++) + p += cwilcox(i, m, n, w) / c; + } + else { + q = m * n - q; + for (i = 0; i < q; i++) { + p += cwilcox(i, m, n, w) / c; + } + lower_tail = !lower_tail; /* p = 1 - p; */ + } + + //free w + /********************************************/ + for (int i = allocated_m; i >= 0; i--) { + for (int j = allocated_n; j >= 0; j--) { + if (w[i][j] != 0) + free((void *) w[i][j]); + } + free((void *) w[i]); + } + free((void *) w); + w = 0; allocated_m = allocated_n = 0; + /********************************************/ + + return(R_DT_val(p)); + } + catch(exception& e) { + mout->errorOut(e, "PWilcox", "pwilcox"); + exit(1); + } +} /* pwilcox */ + diff --git a/wilcox.h b/wilcox.h new file mode 100644 index 0000000..dc96ef7 --- /dev/null +++ b/wilcox.h @@ -0,0 +1,30 @@ +// +// wilcox.h +// Mothur +// +// Created by SarahsWork on 8/6/13. +// Copyright (c) 2013 Schloss Lab. All rights reserved. +// + +#ifndef Mothur_wilcox_h +#define Mothur_wilcox_h + +#include "mothurout.h" + +class PWilcox { + public: + PWilcox() { mout = MothurOut::getInstance();} + ~PWilcox() { } + + double pwilcox(double q, double m, double n, bool lower_tail); + + private: + + MothurOut* mout; + int allocated_m, allocated_n; + double gammln(const double xx); + double choose(double n, double k); + double cwilcox(int k, int m, int n, double*** w); +}; + +#endif