]> git.donarmstrong.com Git - mothur.git/blobdiff - decalc.cpp
working on pam
[mothur.git] / decalc.cpp
index 74cd8652909d17f0cd0e4e899b1472c6eea2ef93..98545f8e24a72dca332bf7571fc0e5e9e6936988 100644 (file)
@@ -12,7 +12,7 @@
 #include "dist.h"
 #include "eachgapdist.h"
 #include "ignoregaps.h"
-
+#include "eachgapdist.h"
 
 //***************************************************************************************************************
 void DeCalculator::setMask(string ms) { 
@@ -150,7 +150,7 @@ vector<int>  DeCalculator::findWindows(Sequence* query, int front, int back, int
 */     
                
                //this follows wigeon, but we may want to consider that it chops off the end values if the sequence cannot be evenly divided into steps
-               for (int m = front; m < (back - size) ; m+=increment) {  win.push_back(m);  }
+               for (int i = front; i < (back - size) ; i+=increment) {  win.push_back(i);  }
 
 
        
@@ -169,10 +169,10 @@ vector<float> DeCalculator::calcObserved(Sequence* query, Sequence* subject, vec
                
                vector<float> temp;     
                //int gaps = 0;         
-               for (int m = 0; m < window.size(); m++) {
+               for (int i = 0; i < window.size(); i++) {
                                                
-                       string seqFrag = query->getAligned().substr(window[m], size);
-                       string seqFragsub = subject->getAligned().substr(window[m], size);
+                       string seqFrag = query->getAligned().substr(window[i], size);
+                       string seqFragsub = subject->getAligned().substr(window[i], size);
                                
                        int diff = 0;
                        for (int b = 0; b < seqFrag.length(); b++) {
@@ -244,9 +244,9 @@ vector<float> DeCalculator::calcExpected(vector<float> qav, float coef) {
                //for each window
                vector<float> queryExpected;
                        
-               for (int m = 0; m < qav.size(); m++) {          
+               for (int j = 0; j < qav.size(); j++) {          
                                
-                       float expected = qav[m] * coef;
+                       float expected = qav[j] * coef;
                                
                        queryExpected.push_back(expected);      
                }
@@ -264,12 +264,12 @@ float DeCalculator::calcDE(vector<float> obs, vector<float> exp) {
        try {
                
                //for each window
-               float sum = 0.0;  //sum = sum from 1 to m of (oi-ei)^2
+               float sum = 0.0;  //sum = sum from 1 to i of (oi-ei)^2
                int numZeros = 0;
-               for (int m = 0; m < obs.size(); m++) {          
+               for (int j = 0; j < obs.size(); j++) {          
                        
-                       //if (obs[m] != 0.0) {
-                               sum += ((obs[m] - exp[m]) * (obs[m] - exp[m])); 
+                       //if (obs[j] != 0.0) {
+                               sum += ((obs[j] - exp[j]) * (obs[j] - exp[j])); 
                        //}else {  numZeros++;   }
                        
                }
@@ -290,10 +290,12 @@ vector<float> DeCalculator::calcFreq(vector<Sequence*> seqs, string filename) {
        try {
 
                vector<float> prob;
-               string freqfile = getRootName(filename) + "freq";
+               string freqfile = m->getRootName(filename) + "freq";
                ofstream outFreq;
                
-               openOutputFile(freqfile, outFreq);
+               m->openOutputFile(freqfile, outFreq);
+               
+               outFreq << "#" << m->getVersion() << endl;
                
                string length = toString(seqs.size());  //if there are 5000 seqs in the template then set precision to 3
                int precision = length.length() - 1;
@@ -321,7 +323,7 @@ vector<float> DeCalculator::calcFreq(vector<Sequence*> seqs, string filename) {
                        
                        //find base with highest frequency
                        int highest = 0;
-                       for (int m = 0; m < freq.size(); m++) {   if (freq[m] > highest) {  highest = freq[m];  }               }
+                       for (int j = 0; j < freq.size(); j++) {   if (freq[j] > highest) {  highest = freq[j];  }               }
                        
                        float highFreq = highest / (float) (seqs.size());       
                        
@@ -355,13 +357,13 @@ vector<float>  DeCalculator::findQav(vector<int> window, int size, vector<float>
                vector<float>  averages; 
                                
                //for each window find average
-               for (int m = 0; m < window.size(); m++) {
+               for (int i = 0; i < window.size(); i++) {
                                
                        float average = 0.0;
                                
                        //while you are in the window for this sequence
                        int count = 0;
-                       for (int j = window[m]; j < (window[m]+size); j++) {   
+                       for (int j = window[i]; j < (window[i]+size); j++) {   
                                average += probabilityProfile[j];
                                count++;
                        }
@@ -381,16 +383,13 @@ vector<float>  DeCalculator::findQav(vector<int> window, int size, vector<float>
 }
 //***************************************************************************************************************
 //seqs have already been masked
-vector< vector<quanMember> > DeCalculator::getQuantiles(vector<Sequence*> seqs, vector<int> windowSizesTemplate, int window, vector<float> probProfile, int increment, int start, int end) {
+vector< vector<float> > DeCalculator::getQuantiles(vector<Sequence*> seqs, vector<int> windowSizesTemplate, int window, vector<float> probProfile, int increment, int start, int end) {
        try {
-               vector< vector<quanMember> > quan; 
+               vector< vector<float> > quan; 
                
                //percentage of mismatched pairs 1 to 100
                quan.resize(100);
-//ofstream o;
-//string out = "getQuantiles.out";
-//openOutputFile(out, o);
-               
+
                //for each sequence
                for(int i = start; i < end; i++){
                
@@ -431,15 +430,16 @@ vector< vector<quanMember> > DeCalculator::getQuantiles(vector<Sequence*> seqs,
        //cout << i << '\t' <<  j << '\t' << dist << '\t' << de << endl;                        
                                dist = ceil(dist);
                                
-                               quanMember newScore(de, i, j);
-                               
-                               quan[dist].push_back(newScore);
+                               //quanMember newScore(de, i, j);
                                
+                               quan[dist].push_back(de);
+
                                delete subject;
                        }
                        
                        delete query;
                }
+       
 
                return quan;
                                                
@@ -456,27 +456,27 @@ inline bool compareQuanMembers(quanMember left, quanMember right){
 } 
 //***************************************************************************************************************
 //this was going to be used by pintail to increase the sensitivity of the chimera detection, but it wasn't quite right.  may want to revisit in the future...
-void DeCalculator::removeObviousOutliers(vector< vector<quanMember> >& quantiles, int num) {
+void DeCalculator::removeObviousOutliers(vector< vector<float> >& quantiles, int num) {
        try {
                                                
                for (int i = 0; i < quantiles.size(); i++) {
-               
-                       //find mean of this quantile score
-                       sort(quantiles[i].begin(), quantiles[i].end(), compareQuanMembers);
                        
-                       float high = quantiles[i][int(quantiles[i].size() * 0.99)].score;
-                       float low =  quantiles[i][int(quantiles[i].size() * 0.01)].score;
-                       
-                       vector<quanMember> temp;
+                       //find mean of this quantile score
+                       sort(quantiles[i].begin(), quantiles[i].end());
                        
-                       //look at each value in quantiles to see if it is an outlier
-                       for (int j = 0; j < quantiles[i].size(); j++) {
-                               //is this score between 1 and 99%
-                               if ((quantiles[i][j].score > low) && (quantiles[i][j].score < high)) {
-                                       temp.push_back(quantiles[i][j]);
+                       vector<float> temp;
+                       if (quantiles[i].size() != 0) {
+                               float high = quantiles[i][int(quantiles[i].size() * 0.99)];
+                               float low =  quantiles[i][int(quantiles[i].size() * 0.01)];
+                       
+                               //look at each value in quantiles to see if it is an outlier
+                               for (int j = 0; j < quantiles[i].size(); j++) {
+                                       //is this score between 1 and 99%
+                                       if ((quantiles[i][j] > low) && (quantiles[i][j] < high)) {
+                                               temp.push_back(quantiles[i][j]);
+                                       }
                                }
                        }
-                       
                        quantiles[i] = temp;
                }
 
@@ -599,7 +599,7 @@ cout << largest->second << '\t' << largest->first->score << '\t' << largest->fir
        }
 }
 
-//***************************************************************************************************************
+***************************************************************************************************************
 //used by removeObviousOutliers which was attempt to increase sensitivity of chimera detection...not currently used...
 int DeCalculator::findLargestContrib(vector<int> seen) {
        try{
@@ -624,7 +624,7 @@ int DeCalculator::findLargestContrib(vector<int> seen) {
                exit(1);
        }
 }
-//***************************************************************************************************************
+***************************************************************************************************************
 void DeCalculator::removeContrib(int bad, vector<quanMember>& quan) {
        try{
        
@@ -683,22 +683,23 @@ float DeCalculator::getCoef(vector<float> obs, vector<float> qav) {
 }
 //***************************************************************************************************************
 //gets closest matches to each end, since chimeras will most likely have different parents on each end
-vector<Sequence*> DeCalculator::findClosest(Sequence* querySeq, vector<Sequence*> db, int& numWanted, vector<int>& indexes) {
+vector<Sequence> DeCalculator::findClosest(Sequence querySeq, vector<Sequence*>& thisTemplate, vector<Sequence*>& thisFilteredTemplate, int numWanted, int minSim) {
        try {
-               indexes.clear();
+               //indexes.clear();
+               
+               vector<Sequence> seqsMatches;  
                
-               vector<Sequence*> seqsMatches;  
                vector<SeqDist> distsLeft;
                vector<SeqDist> distsRight;
                
                Dist* distcalculator = new eachGapDist();
                
-               string queryUnAligned = querySeq->getUnaligned();
+               string queryUnAligned = querySeq.getUnaligned();
                int numBases = int(queryUnAligned.length() * 0.33);
                
                string leftQuery = ""; //first 1/3 of the sequence
                string rightQuery = ""; //last 1/3 of the sequence
-               string queryAligned = querySeq->getAligned();
+               string queryAligned = querySeq.getAligned();
                
                //left side
                bool foundFirstBase = false;
@@ -725,7 +726,7 @@ vector<Sequence*> DeCalculator::findClosest(Sequence* querySeq, vector<Sequence*
                        //if you are a base
                        if (isalpha(queryAligned[i])) {         baseCount++;    }
                        //if you have 1/3
-                       if (baseCount >= numBases) { rightSpot = i;  break; } //last 1/3
+                       if (baseCount > numBases + 1) { rightSpot = i;  break; } //last 1/3
                }
                
                //trim end
@@ -737,36 +738,37 @@ vector<Sequence*> DeCalculator::findClosest(Sequence* querySeq, vector<Sequence*
                                break;
                        }
                }
-               rightQuery = queryAligned.substr(rightSpot, (lastBaseSpot-rightSpot)); //sequence from pos spot to end
+               rightQuery = queryAligned.substr(rightSpot, (lastBaseSpot-rightSpot+1)); //sequence from pos spot to end
+               
+               Sequence queryLeft(querySeq.getName(), leftQuery);
+               Sequence queryRight(querySeq.getName(), rightQuery);
                
-               Sequence queryLeft(querySeq->getName(), leftQuery);
-               Sequence queryRight(querySeq->getName(), rightQuery);
 //cout << querySeq->getName() << '\t' << leftSpot << '\t' << rightSpot << '\t' << firstBaseSpot << '\t' << lastBaseSpot << endl;
 //cout << queryUnAligned.length() << '\t' << queryLeft.getUnaligned().length() << '\t' << queryRight.getUnaligned().length() << endl;
-               for(int j = 0; j < db.size(); j++){
+               for(int j = 0; j < thisFilteredTemplate.size(); j++){
                        
-                       string dbAligned = db[j]->getAligned();
+                       string dbAligned = thisFilteredTemplate[j]->getAligned();
                        string leftDB = dbAligned.substr(firstBaseSpot, (leftSpot-firstBaseSpot+1)); //first 1/3 of the sequence
-                       string rightDB = dbAligned.substr(rightSpot, (lastBaseSpot-rightSpot)); //last 1/3 of the sequence
-                       
-                       Sequence dbLeft(db[j]->getName(), leftDB);
-                       Sequence dbRight(db[j]->getName(), rightDB);
+                       string rightDB = dbAligned.substr(rightSpot, (lastBaseSpot-rightSpot+1)); //last 1/3 of the sequence
+
+                       Sequence dbLeft(thisFilteredTemplate[j]->getName(), leftDB);
+                       Sequence dbRight(thisFilteredTemplate[j]->getName(), rightDB);
 
                        distcalculator->calcDist(queryLeft, dbLeft);
                        float distLeft = distcalculator->getDist();
                        
                        distcalculator->calcDist(queryRight, dbRight);
                        float distRight = distcalculator->getDist();
-                       
+
                        SeqDist subjectLeft;
-                       subjectLeft.seq = db[j];
+                       subjectLeft.seq = NULL;
                        subjectLeft.dist = distLeft;
                        subjectLeft.index = j;
                        
                        distsLeft.push_back(subjectLeft);
                        
                        SeqDist subjectRight;
-                       subjectRight.seq = db[j];
+                       subjectRight.seq = NULL;
                        subjectRight.dist = distRight;
                        subjectRight.index = j;
                        
@@ -779,6 +781,7 @@ vector<Sequence*> DeCalculator::findClosest(Sequence* querySeq, vector<Sequence*
                //sort by smallest distance
                sort(distsRight.begin(), distsRight.end(), compareSeqDist);
                sort(distsLeft.begin(), distsLeft.end(), compareSeqDist);
+
                
                //merge results         
                map<string, string> seen;
@@ -787,51 +790,63 @@ vector<Sequence*> DeCalculator::findClosest(Sequence* querySeq, vector<Sequence*
                vector<SeqDist> dists;
                float lastRight = distsRight[0].dist;
                float lastLeft = distsLeft[0].dist;
-               int lasti = 0;
-               for (int i = 0; i < distsLeft.size(); i++) {
+
+               float maxDist = 1.0 - (minSim / 100.0);
+
+               for (int i = 0; i < numWanted+1; i++) {
+                       if (m->control_pressed) { return seqsMatches; }
+                       
                        //add left if you havent already
-                       it = seen.find(distsLeft[i].seq->getName());
-                       if (it == seen.end()) {  
+                       it = seen.find(thisTemplate[distsLeft[i].index]->getName());
+                       if (it == seen.end() && distsLeft[i].dist <= maxDist) {  
                                dists.push_back(distsLeft[i]);
-                               seen[distsLeft[i].seq->getName()] = distsLeft[i].seq->getName();
+                               seen[thisTemplate[distsLeft[i].index]->getName()] = thisTemplate[distsLeft[i].index]->getName();
                                lastLeft =  distsLeft[i].dist;
+//                             cout << "loop-left\t" << db[distsLeft[i].index]->getName() << '\t' << distsLeft[i].dist << endl;
                        }
 
                        //add right if you havent already
-                       it = seen.find(distsRight[i].seq->getName());
-                       if (it == seen.end()) {  
+                       it = seen.find(thisTemplate[distsRight[i].index]->getName());
+                       if (it == seen.end() && distsRight[i].dist <= maxDist) {  
                                dists.push_back(distsRight[i]);
-                               seen[distsRight[i].seq->getName()] = distsRight[i].seq->getName();
+                               seen[thisTemplate[distsRight[i].index]->getName()] = thisTemplate[distsRight[i].index]->getName();
                                lastRight =  distsRight[i].dist;
+//                             cout << "loop-right\t" << db[distsRight[i].index]->getName() << '\t' << distsRight[i].dist << endl;
                        }
                        
-                       if (dists.size() > numWanted) { lasti = i; break; } //you have enough results
+                       if (i == numWanted) { break; }
+                       
                }
                
-               //add in dups
-               lasti++;
-               int i = lasti;
-               while (i < distsLeft.size()) {  
-                       if (distsLeft[i].dist == lastLeft) {  dists.push_back(distsLeft[i]);  numWanted++; }
-                       else { break; }
-                       i++;
+               //are we still above the minimum similarity cutoff
+               if ((lastLeft >= minSim) || (lastRight >= minSim)) {
+                       //add in ties from left
+                       int i = numWanted;
+                       while (i < distsLeft.size()) {  
+                               if (distsLeft[i].dist == lastLeft) {  dists.push_back(distsLeft[i]);  }
+                               else { break; }
+                               i++;
+                       }
+                       
+                       //add in ties from right
+                       i = numWanted;
+                       while (i < distsRight.size()) {  
+                               if (distsRight[i].dist == lastRight) {  dists.push_back(distsRight[i]);  }
+                               else { break; }
+                               i++;
+                       }
                }
                
-               i = lasti;
-               while (i < distsRight.size()) {  
-                       if (distsRight[i].dist == lastRight) {  dists.push_back(distsRight[i]);  numWanted++; }
-                       else { break; }
-                       i++;
-               }
+               //cout << numWanted << endl;
+               for (int i = 0; i < dists.size(); i++) {
+//                     cout << db[dists[i].index]->getName() << '\t' << dists[i].dist << endl;
 
-               if (numWanted > dists.size()) { m->mothurOut("numwanted is larger than the number of template sequences, adjusting numwanted."); m->mothurOutEndLine(); numWanted = dists.size(); }
+                       if ((thisTemplate[dists[i].index]->getName() != querySeq.getName()) && (((1.0-dists[i].dist)*100) >= minSim)) {
+                               Sequence temp(thisTemplate[dists[i].index]->getName(), thisTemplate[dists[i].index]->getAligned()); //have to make a copy so you can trim and filter without stepping on eachother.
+                               //cout << querySeq->getName() << '\t' << thisTemplate[dists[i].index]->getName()  << '\t' << dists[i].dist << endl;
+                               seqsMatches.push_back(temp);
+                       }
 
-//cout << numWanted << endl;
-               for (int i = 0; i < numWanted; i++) {
-//cout << dists[i].seq->getName() << '\t' << dists[i].dist << endl;
-                       Sequence* temp = new Sequence(dists[i].seq->getName(), dists[i].seq->getAligned()); //have to make a copy so you can trim and filter without stepping on eachother.
-                       seqsMatches.push_back(temp);
-                       indexes.push_back(dists[i].index);
                }
                
                return seqsMatches;
@@ -874,17 +889,17 @@ Sequence* DeCalculator::findClosest(Sequence* querySeq, vector<Sequence*> db) {
        }
 }
 /***************************************************************************************************************/
-map<int, int> DeCalculator::trimSeqs(Sequence* query, vector<Sequence*> topMatches) {
+map<int, int> DeCalculator::trimSeqs(Sequence& query, vector<Sequence>& topMatches) {
        try {
                
                int frontPos = 0;  //should contain first position in all seqs that is not a gap character
-               int rearPos = query->getAligned().length();
+               int rearPos = query.getAligned().length();
                
                //********find first position in topMatches that is a non gap character***********//
                //find first position all query seqs that is a non gap character
                for (int i = 0; i < topMatches.size(); i++) {
                        
-                       string aligned = topMatches[i]->getAligned();
+                       string aligned = topMatches[i].getAligned();
                        int pos = 0;
                        
                        //find first spot in this seq
@@ -900,7 +915,7 @@ map<int, int> DeCalculator::trimSeqs(Sequence* query, vector<Sequence*> topMatch
                }
                
                
-               string aligned = query->getAligned();
+               string aligned = query.getAligned();
                int pos = 0;
                        
                //find first position in query that is a non gap character
@@ -918,7 +933,7 @@ map<int, int> DeCalculator::trimSeqs(Sequence* query, vector<Sequence*> topMatch
                //********find last position in topMatches that is a non gap character***********//
                for (int i = 0; i < topMatches.size(); i++) {
                        
-                       string aligned = topMatches[i]->getAligned();
+                       string aligned = topMatches[i].getAligned();
                        int pos = aligned.length();
                        
                        //find first spot in this seq
@@ -934,7 +949,7 @@ map<int, int> DeCalculator::trimSeqs(Sequence* query, vector<Sequence*> topMatch
                }
                
                
-               aligned = query->getAligned();
+               aligned = query.getAligned();
                pos = aligned.length();
                
                //find last position in query that is a non gap character
@@ -947,28 +962,34 @@ map<int, int> DeCalculator::trimSeqs(Sequence* query, vector<Sequence*> topMatch
                
                //save this spot if it is the farthest
                if (pos < rearPos) { rearPos = pos; }
-
-               //check to make sure that is not whole seq
-               if ((rearPos - frontPos - 1) <= 0) {  m->mothurOut("Error, when I trim your sequences, the entire sequence is trimmed."); m->mothurOutEndLine(); exit(1);  }
-//cout << query->getName() << " front = " << frontPos << " rear = " << rearPos << endl;                
-               //trim query
-               string newAligned = query->getAligned();
-               newAligned = newAligned.substr(frontPos, (rearPos-frontPos+1));
-               query->setAligned(newAligned);
-               
-               //trim topMatches
-               for (int i = 0; i < topMatches.size(); i++) {
-                       newAligned = topMatches[i]->getAligned();
-                       newAligned = newAligned.substr(frontPos, (rearPos-frontPos+1));
-                       topMatches[i]->setAligned(newAligned);
-               }
                
                map<int, int> trimmedPos;
-               
-               for (int i = 0; i < newAligned.length(); i++) {
-                       trimmedPos[i] = i+frontPos;
+               //check to make sure that is not whole seq
+               if ((rearPos - frontPos - 1) <= 0) {  
+                       query.setAligned("");
+                       //trim topMatches
+                       for (int i = 0; i < topMatches.size(); i++) {
+                               topMatches[i].setAligned("");
+                       }
+                       
+               }else {
+
+                       //trim query
+                       string newAligned = query.getAligned();
+                       newAligned = newAligned.substr(frontPos, (rearPos-frontPos+1));
+                       query.setAligned(newAligned);
+                       
+                       //trim topMatches
+                       for (int i = 0; i < topMatches.size(); i++) {
+                               newAligned = topMatches[i].getAligned();
+                               newAligned = newAligned.substr(frontPos, (rearPos-frontPos+1));
+                               topMatches[i].setAligned(newAligned);
+                       }
+                       
+                       for (int i = 0; i < newAligned.length(); i++) {
+                               trimmedPos[i] = i+frontPos;
+                       }
                }
-               
                return trimmedPos;
        }
        catch(exception& e) {