]> git.donarmstrong.com Git - mothur.git/blobdiff - pintail.cpp
removing extra file output from pintail
[mothur.git] / pintail.cpp
index 74c34e18be897ecb2c7966e5a481a5fff81d76df..7ae3ff6dbb96224197dff97db4b435880738d87b 100644 (file)
@@ -9,7 +9,13 @@
 
 #include "pintail.h"
 #include "ignoregaps.h"
+#include "eachgapdist.h"
 
+//********************************************************************************************************************
+//sorts lowest to highest
+inline bool compareQuanMembers(quanMember left, quanMember right){
+       return (left.score < right.score);      
+} 
 //***************************************************************************************************************
 
 Pintail::Pintail(string filename, string temp) {  fastafile = filename;  templateFile = temp;  }
@@ -19,8 +25,7 @@ Pintail::~Pintail() {
        try {
                for (int i = 0; i < querySeqs.size(); i++)              {  delete querySeqs[i];         }
                for (int i = 0; i < templateSeqs.size(); i++)   {  delete templateSeqs[i];      }
-               
-               if (processors != 1) {   for (int i = 0; i < bestfit.size(); i++)       {  delete bestfit[i];   }  }
+               for (int i = 0; i < bestfit.size(); i++)                {  delete bestfit[i];           }  
        }
        catch(exception& e) {
                errorOut(e, "Pintail", "~Pintail");
@@ -31,19 +36,20 @@ Pintail::~Pintail() {
 void Pintail::print(ostream& out) {
        try {
                
+               mothurOutEndLine();
+               
                for (int i = 0; i < querySeqs.size(); i++) {
                        
                        int index = ceil(deviation[i]);
-float quan = 2.64 * log10(deviation[i]) + 1.46;
-cout << "dist = " << index << endl;
-cout << "de = "  << DE[i] << endl;
-cout << "mallard quantile = " << quan << endl;
-cout << "my quantile = " << quantiles[index][4] << endl;
-                       
+                                               
                        //is your DE value higher than the 95%
                        string chimera;
-                       if (DE[i] > quantiles[index][4])                {       chimera = "Yes";        }
-                       else                                                                    {       chimera = "No";         }
+                       if (quantiles[index][4] == 0.0) {
+                               chimera = "Your template does not include sequences that provide quantile values at distance " + toString(index);
+                       }else {
+                               if (DE[i] > quantiles[index][4])                {       chimera = "Yes";        }
+                               else                                                                    {       chimera = "No";         }
+                       }
                        
                        out << querySeqs[i]->getName() << '\t' << "div: " << deviation[i] << "\tstDev: " << DE[i] << "\tchimera flag: " << chimera << endl;
                        if (chimera == "Yes") {
@@ -92,6 +98,7 @@ void Pintail::getChimeras() {
                windowsForeachQuery.resize(numSeqs);
                h.resize(numSeqs);
                quantiles.resize(100);  //one for every percent mismatch
+               quantilesMembers.resize(100);  //one for every percent mismatch
                
                //break up file if needed
                int linesPerProcess = numSeqs / processors ;
@@ -123,7 +130,7 @@ void Pintail::getChimeras() {
                        templateLines.push_back(new linePair(0, templateSeqs.size()));
                #endif
                
-               distcalculator = new ignoreGaps();
+               distcalculator = new eachGapDist();
                decalc = new DeCalculator();
                
                //if the user does enter a mask then you want to keep all the spots in the alignment
@@ -139,25 +146,15 @@ void Pintail::getChimeras() {
                        mothurOut("Done."); mothurOutEndLine();
                }else {         createProcessesPairs();         }
                
-               
-               for (int j = 0; j < bestfit.size(); j++) { 
-                               //chops off beginning and end of sequences so they both start and end with a base
-                               ofstream out;
-                               string s = querySeqs[j]->getName();
-                               
-                               openOutputFile(s, out);
-                               out << ">" << querySeqs[j]->getName() << endl;
-                               out << querySeqs[j]->getAligned() << endl;
-                               out.close();
-                               
-                               string t =querySeqs[j]->getName() + ".ref";
-                               openOutputFile(t, out);
-                               out << ">" << bestfit[j]->getName() << endl;
-                               out << bestfit[j]->getAligned() << endl;
-                               out.close();
-               }
+//string o = "closestmatch.eachgap.fasta";
+//ofstream out7;
+//openOutputFile(o, out7);
 
-               
+//for (int i = 0; i < bestfit.size(); i++) {
+       //out7 << ">" << querySeqs[i]->getName() << "-"<< bestfit[i]->getName() << endl;
+       //out7 << bestfit[i]->getAligned() << endl;
+//}            
+//out7.close();        
                //find P
                mothurOut("Getting conservation... "); cout.flush();
                if (consfile == "") { 
@@ -170,51 +167,58 @@ void Pintail::getChimeras() {
                for (int i = 0; i < probabilityProfile.size(); i++)  {  probabilityProfile[i] = 1 - probabilityProfile[i];  }  //cout << i << '\t' << probabilityProfile[i] << endl;
                mothurOut("Done."); mothurOutEndLine();
                
-               //mask querys
-               for (int i = 0; i < querySeqs.size(); i++) {
-               //cout << querySeqs[i]->getName() << " before mask = " << querySeqs[i]->getAligned() << endl << endl;
-                       decalc->runMask(querySeqs[i]);
-               //cout << querySeqs[i]->getName() << " after mask = " << querySeqs[i]->getAligned() << endl << endl;
-               }
+               //mask sequences if the user wants to 
+               if (seqMask != "") {
+                       //mask querys
+                       for (int i = 0; i < querySeqs.size(); i++) {
+                               decalc->runMask(querySeqs[i]);
+                       }
                
-               //mask templates
-               for (int i = 0; i < templateSeqs.size(); i++) {
-                       decalc->runMask(templateSeqs[i]);
+                       //mask templates
+                       for (int i = 0; i < templateSeqs.size(); i++) {
+                               decalc->runMask(templateSeqs[i]);
+                       }
+                       
+                       for (int i = 0; i < bestfit.size(); i++) { 
+                               decalc->runMask(bestfit[i]);
+                       }
+
                }
                
-//for (int i = 0; i < lines.size(); i++) { cout << "line pair " << i << " = " << lines[i]->start << '\t' << lines[i]->end << endl;  }
-                               
+               if (filter) {
+                       vector<Sequence*> temp = templateSeqs;
+                       for (int i = 0; i < querySeqs.size(); i++) { temp.push_back(querySeqs[i]);  }
+                       
+                       createFilter(temp);
+                       
+                       runFilter(querySeqs);
+                       runFilter(templateSeqs);
+                       runFilter(bestfit);
+               }
+                                                                               
+                                                                                                                                               
                if (processors == 1) { 
        
                        for (int j = 0; j < bestfit.size(); j++) { 
-                       //cout << querySeqs[j]->getName() << " after mask = " << querySeqs[j]->getAligned() << endl << endl;
-                       ///cout << bestfit[j]->getName() << " after mask = " << bestfit[j]->getAligned() << endl << endl;
                                decalc->trimSeqs(querySeqs[j], bestfit[j], trimmed[j]);  
                        }
                        
                        mothurOut("Finding window breaks... "); cout.flush();
                        for (int i = lines[0]->start; i < lines[0]->end; i++) {
                                it = trimmed[i].begin();
-//cout << querySeqs[i]->getName() << '\t' << "trimmed = " << it->first << '\t' << it->second << endl;
                                vector<int> win = decalc->findWindows(querySeqs[i], it->first, it->second, windowSizes[i], increment);
                                windowsForeachQuery[i] = win;
                        }
                        mothurOut("Done."); mothurOutEndLine();
                
                }else {         createProcessesSpots();         }
-
                
                if (processors == 1) { 
                                                
                        mothurOut("Calculating observed distance... "); cout.flush();
                        for (int i = lines[0]->start; i < lines[0]->end; i++) {
-       //cout << querySeqs[i]->getName() << '\t' << bestfit[i]->getName() << " windows = " << windowsForeachQuery[i].size() << " size = " << windowSizes[i] << endl;
                                vector<float> obsi = decalc->calcObserved(querySeqs[i], bestfit[i], windowsForeachQuery[i], windowSizes[i]);
        
-       for (int j = 0; j < obsi.size(); j++) {
-               //cout << obsi[j] << '\t';
-       }
-       //cout << endl;
                                obsDistance[i] = obsi;
                        }
                        mothurOut("Done."); mothurOutEndLine();
@@ -225,12 +229,6 @@ void Pintail::getChimeras() {
                                vector<float> q = decalc->findQav(windowsForeachQuery[i], windowSizes[i], probabilityProfile);
 
                                Qav[i] = q;
-//cout << querySeqs[i]->getName() << endl;
-for (int j = 0; j < Qav[i].size(); j++) {
-       //cout << Qav[i][j] << '\t';
-}
-//cout << endl << endl;
-
                        }
                        mothurOut("Done."); mothurOutEndLine();
                        
@@ -238,7 +236,6 @@ for (int j = 0; j < Qav[i].size(); j++) {
                        mothurOut("Calculating alpha... "); cout.flush();
                        for (int i = lines[0]->start; i < lines[0]->end; i++) {
                                float alpha = decalc->getCoef(obsDistance[i], Qav[i]);
-//cout << querySeqs[i]->getName() << "\tcoef = " << alpha << endl;
                                seqCoef[i] = alpha;
                        }
                        mothurOut("Done."); mothurOutEndLine();
@@ -256,10 +253,9 @@ for (int j = 0; j < Qav[i].size(); j++) {
                        for (int i = lines[0]->start; i < lines[0]->end; i++) {
                                float de = decalc->calcDE(obsDistance[i], expectedDistance[i]);
                                DE[i] = de;
-//cout << querySeqs[i]->getName() << '\t' << "de value = " << de << endl;                              
+                       
                                it = trimmed[i].begin();
                                float dist = decalc->calcDist(querySeqs[i], bestfit[i], it->first, it->second); 
-//cout << querySeqs[i]->getName() << '\t' << "dist value = " << dist << endl;
                                deviation[i] = dist;
                        }
                        mothurOut("Done."); mothurOutEndLine();
@@ -267,64 +263,119 @@ for (int j = 0; j < Qav[i].size(); j++) {
                } 
                else {          createProcesses();              }
                
-               
                //quantiles are used to determine whether the de values found indicate a chimera
                //if you have to calculate them, its time intensive because you are finding the de and deviation values for each 
                //combination of sequences in the template
-               if (quanfile != "") {  quantiles =  readQuantiles();  }
+               if (quanfile != "") {  quantiles = readQuantiles();  }
                else {
                        
                        mothurOut("Calculating quantiles for your template.  This can take a while...  I will output the quantiles to a .quan file that you can input them using the quantiles parameter next time you run this command.  Providing the .quan file will dramatically improve speed.    "); cout.flush();
                        if (processors == 1) { 
-                               quantiles = decalc->getQuantiles(templateSeqs, windowSizesTemplate, window, probabilityProfile, increment, 0, templateSeqs.size());
+                               quantilesMembers = decalc->getQuantiles(templateSeqs, windowSizesTemplate, window, probabilityProfile, increment, 0, templateSeqs.size());
                        }else {         createProcessesQuan();          }
+               
                        
+                       ofstream out4, out5;
+                       string noOutliers, outliers;
+                       
+                       if ((!filter) && (seqMask == "")) {
+                               noOutliers = getRootName(templateFile) + "pintail.quan";
+                       }else if ((filter) && (seqMask == "")) { 
+                               noOutliers = getRootName(templateFile) + "pintail.filtered.quan";
+                       }else if ((!filter) && (seqMask != "")) { 
+                               noOutliers = getRootName(templateFile) + "pintail.masked.quan";
+                       }else if ((filter) && (seqMask != "")) { 
+                               noOutliers = getRootName(templateFile) + "pintail.filtered.masked.quan";
+                       }
+
+                       //outliers = getRootName(templateFile) + "pintail.quanYESOUTLIERS";
                        
-                       decalc->removeObviousOutliers(quantiles);
-                       
-                       ofstream out4;
-                       string o = getRootName(templateFile) + "quan";
-                       
-                       openOutputFile(o, out4);
+                       /*openOutputFile(outliers, out4);
                        
                        //adjust quantiles
-                       for (int i = 0; i < quantiles.size(); i++) {
-                               if (quantiles[i].size() == 0) {
+                       for (int i = 0; i < quantilesMembers.size(); i++) {
+                               vector<float> temp;
+                               
+                               if (quantilesMembers[i].size() == 0) {
                                        //in case this is not a distance found in your template files
                                        for (int g = 0; g < 6; g++) {
-                                               quantiles[i].push_back(0.0);
+                                               temp.push_back(0.0);
                                        }
                                }else{
                                        
-                                       sort(quantiles[i].begin(), quantiles[i].end());
+                                       sort(quantilesMembers[i].begin(), quantilesMembers[i].end(), compareQuanMembers);
                                        
-                                       vector<float> temp;
                                        //save 10%
-                                       temp.push_back(quantiles[i][int(quantiles[i].size() * 0.10)]);
+                                       temp.push_back(quantilesMembers[i][int(quantilesMembers[i].size() * 0.10)].score);
                                        //save 25%
-                                       temp.push_back(quantiles[i][int(quantiles[i].size() * 0.25)]);
+                                       temp.push_back(quantilesMembers[i][int(quantilesMembers[i].size() * 0.25)].score);
                                        //save 50%
-                                       temp.push_back(quantiles[i][int(quantiles[i].size() * 0.5)]);
+                                       temp.push_back(quantilesMembers[i][int(quantilesMembers[i].size() * 0.5)].score);
                                        //save 75%
-                                       temp.push_back(quantiles[i][int(quantiles[i].size() * 0.75)]);
+                                       temp.push_back(quantilesMembers[i][int(quantilesMembers[i].size() * 0.75)].score);
                                        //save 95%
-                                       temp.push_back(quantiles[i][int(quantiles[i].size() * 0.95)]);
+                                       temp.push_back(quantilesMembers[i][int(quantilesMembers[i].size() * 0.95)].score);
                                        //save 99%
-                                       temp.push_back(quantiles[i][int(quantiles[i].size() * 0.99)]);
+                                       temp.push_back(quantilesMembers[i][int(quantilesMembers[i].size() * 0.99)].score);
                                        
-                                       quantiles[i] = temp;
                                }
                                
                                //output quan value
                                out4 << i+1 << '\t';                            
-                               for (int u = 0; u < quantiles[i].size(); u++) {   out4 << quantiles[i][u] << '\t'; }
+                               for (int u = 0; u < temp.size(); u++) {   out4 << temp[u] << '\t'; }
                                out4 << endl;
-
+                               
+                               quantiles[i] = temp;
+                               
                        }
                        
+                       out4.close();*/
+                       
+                       decalc->removeObviousOutliers(quantilesMembers, templateSeqs.size());
+                       
+                       openOutputFile(noOutliers, out5);
+                       
+                       //adjust quantiles
+                       for (int i = 0; i < quantilesMembers.size(); i++) {
+                               vector<float> temp;
+                               
+                               if (quantilesMembers[i].size() == 0) {
+                                       //in case this is not a distance found in your template files
+                                       for (int g = 0; g < 6; g++) {
+                                               temp.push_back(0.0);
+                                       }
+                               }else{
+                                       
+                                       sort(quantilesMembers[i].begin(), quantilesMembers[i].end(), compareQuanMembers);
+                                       
+                                       //save 10%
+                                       temp.push_back(quantilesMembers[i][int(quantilesMembers[i].size() * 0.10)].score);
+                                       //save 25%
+                                       temp.push_back(quantilesMembers[i][int(quantilesMembers[i].size() * 0.25)].score);
+                                       //save 50%
+                                       temp.push_back(quantilesMembers[i][int(quantilesMembers[i].size() * 0.5)].score);
+                                       //save 75%
+                                       temp.push_back(quantilesMembers[i][int(quantilesMembers[i].size() * 0.75)].score);
+                                       //save 95%
+                                       temp.push_back(quantilesMembers[i][int(quantilesMembers[i].size() * 0.95)].score);
+                                       //save 99%
+                                       temp.push_back(quantilesMembers[i][int(quantilesMembers[i].size() * 0.99)].score);
+                                       
+                               }
+                               
+                               //output quan value
+                               out5 << i+1 << '\t';                            
+                               for (int u = 0; u < temp.size(); u++) {   out5 << temp[u] << '\t'; }
+                               out5 << endl;
+                               
+                               quantiles[i] = temp;
+                               
+                       }
+
                        mothurOut("Done."); mothurOutEndLine();
+                       
                }
-       
+                       
                //free memory
                for (int i = 0; i < lines.size(); i++)                                  {       delete lines[i];                                }
                for (int i = 0; i < templateLines.size(); i++)                  {       delete templateLines[i];                }
@@ -380,45 +431,6 @@ vector<float> Pintail::readFreq() {
        }
 }
 
-//***************************************************************************************************************
-
-vector< vector<float> > Pintail::readQuantiles() {
-       try {
-       
-               ifstream in;
-               openInputFile(quanfile, in);
-               
-               vector< vector<float> > quan;
-       
-               int num; float ten, twentyfive, fifty, seventyfive, ninetyfive, ninetynine; 
-               
-               while(!in.eof()){
-                       
-                       in >> num >> ten >> twentyfive >> fifty >> seventyfive >> ninetyfive >> ninetynine; 
-                       
-                       vector <float> temp;
-                       
-                       temp.push_back(ten); 
-                       temp.push_back(twentyfive);
-                       temp.push_back(fifty);
-                       temp.push_back(seventyfive);
-                       temp.push_back(ninetyfive);
-                       temp.push_back(ninetynine);
-                       
-                       quan.push_back(temp);  
-                       
-                       gobble(in);
-               }
-               
-               in.close();
-               return quan;
-               
-       }
-       catch(exception& e) {
-               errorOut(e, "Pintail", "readQuantiles");
-               exit(1);
-       }
-}
 //***************************************************************************************************************
 //calculate the distances from each query sequence to all sequences in the template to find the closest sequence
 vector<Sequence*> Pintail::findPairs(int start, int end) {
@@ -445,7 +457,10 @@ vector<Sequence*> Pintail::findPairs(int start, int end) {
                                }
                        }
                        
-                       seqsMatches.push_back(match);
+                       //make copy so trimSeqs doesn't overtrim
+                       Sequence* copy = new Sequence(match->getName(), match->getAligned());
+                       
+                       seqsMatches.push_back(copy);
                }
                
                return seqsMatches;
@@ -478,6 +493,7 @@ void Pintail::createProcessesSpots() {
                                
                                        //chops off beginning and end of sequences so they both start and end with a base
                                        map<int, int> trim;
+
                                        decalc->trimSeqs(querySeqs[j], bestfit[j], trim); 
                                        trimmed[j] = trim;
                                        
@@ -512,8 +528,7 @@ void Pintail::createProcessesSpots() {
                                
                                //output trimmed values
                                for (int i = lines[process]->start; i < lines[process]->end; i++) {
-                                       it = trimmed[i].begin();
-                                       
+                                       it = trimmed[i].begin();                                        
                                        out << it->first << '\t' << it->second << endl;
                                }
                                out.close();
@@ -568,7 +583,7 @@ void Pintail::createProcessesSpots() {
                        for (int m = 0; m < size; m++) {
                                int front, back;
                                in >> front >> back;
-                               
+                       
                                map<int, int> t;
                                
                                t[front] = back;
@@ -923,7 +938,7 @@ void Pintail::createProcessesQuan() {
                                process++;
                        }else if (pid == 0){
                                
-                               quantiles = decalc->getQuantiles(templateSeqs, windowSizesTemplate, window, probabilityProfile, increment, templateLines[process]->start, templateLines[process]->end);
+                               quantilesMembers = decalc->getQuantiles(templateSeqs, windowSizesTemplate, window, probabilityProfile, increment, templateLines[process]->start, templateLines[process]->end);
                                
                                //write out data to file so parent can read it
                                ofstream out;
@@ -932,10 +947,10 @@ void Pintail::createProcessesQuan() {
                                
                                                                
                                //output observed distances
-                               for (int i = 0; i < quantiles.size(); i++) {
-                                       out << quantiles[i].size() << '\t';
-                                       for (int j = 0; j < quantiles[i].size(); j++) {
-                                               out << quantiles[i][j] << '\t';
+                               for (int i = 0; i < quantilesMembers.size(); i++) {
+                                       out << quantilesMembers[i].size() << '\t';
+                                       for (int j = 0; j < quantilesMembers[i].size(); j++) {
+                                               out << quantilesMembers[i][j].score << '\t' << quantilesMembers[i][j].member1 << '\t' << quantilesMembers[i][j].member2 << '\t';
                                        }
                                        out << endl;
                                }
@@ -951,35 +966,42 @@ void Pintail::createProcessesQuan() {
                        int temp = processIDS[i];
                        wait(&temp);
                }
-               
+
                //get data created by processes
                for (int i=0;i<processors;i++) { 
                        ifstream in;
                        string s = toString(processIDS[i]) + ".temp";
                        openInputFile(s, in);
                        
-                       vector< vector<float> > quan; quan.resize(100);
+                       vector< vector<quanMember> > quan; 
+                       quan.resize(100);
                        
                        //get quantiles
                        for (int m = 0; m < quan.size(); m++) {
                                int num;
-                               in >> num;
-                       
-                               vector<float> q;  float w;
+                               in >> num; 
+                               
+                               gobble(in);
+
+                               vector<quanMember> q;  float w; int b, n;
                                for (int j = 0; j < num; j++) {
-                                       in >> w;
-                                       q.push_back(w);
+                                       in >> w >> b >> n;
+       //cout << w << '\t' << b << '\t' n << endl;
+                                       quanMember newMember(w, b, n);
+                                       q.push_back(newMember);
                                }
-                       
+//cout << "here" << endl;
                                quan[m] = q;
+//cout << "now here" << endl;
                                gobble(in);
                        }
                        
-                       
+       
                        //save quan in quantiles
-                       for (int i = 0; i < quan.size(); i++) {
+                       for (int j = 0; j < quan.size(); j++) {
                                //put all values of q[i] into quan[i]
-                               quantiles[i].insert(quantiles[i].begin(), quan[i].begin(), quan[i].end());
+                               for (int l = 0; l < quan[j].size(); l++) {  quantilesMembers[j].push_back(quan[j][l]);   }
+                               //quantilesMembers[j].insert(quantilesMembers[j].begin(), quan[j].begin(), quan[j].end());
                        }
                                        
                        in.close();
@@ -987,7 +1009,7 @@ void Pintail::createProcessesQuan() {
                }
                
 #else
-               quantiles = decalc->getQuantiles(templateSeqs, windowSizesTemplate, window, probabilityProfile, increment, 0, templateSeqs.size());
+               quantilesMembers = decalc->getQuantiles(templateSeqs, windowSizesTemplate, window, probabilityProfile, increment, 0, templateSeqs.size());
 #endif         
        }
        catch(exception& e) {