]> git.donarmstrong.com Git - mothur.git/blobdiff - decalc.cpp
chimeras, fix to sabundvector and sharedsabundvector that caused getRabundVector...
[mothur.git] / decalc.cpp
index 860b12f3c380088606088e99f952fd114b9ae021..c5f0c2607120ba0455d9819e3a6b5cb064900e81 100644 (file)
@@ -8,21 +8,35 @@
  */
 
 #include "decalc.h"
+#include "chimera.h"
+#include "dist.h"
+#include "eachgapdist.h"
+#include "ignoregaps.h"
+
 
 //***************************************************************************************************************
 void DeCalculator::setMask(string m) { 
        try {
                seqMask = m; 
+               int count = 0;
+               maskMap.clear();
                
                if (seqMask.length() != 0) {
                        //whereever there is a base in the mask, save that value is query and subject
                        for (int i = 0; i < seqMask.length(); i++) {
                                if (isalpha(seqMask[i])) {
                                        h.insert(i);
+                                       maskMap[count] = i;
+                                       count++;
+                                       
                                }
                        }
                }else {
-                       for (int i = 0; i < alignLength; i++) {   h.insert(i);  }
+                       for (int i = 0; i < alignLength; i++) {   
+                               h.insert(i); 
+                               maskMap[count] = i;
+                               count++;
+                       }
                }
        }
        catch(exception& e) {
@@ -92,7 +106,7 @@ vector<int>  DeCalculator::findWindows(Sequence* query, int front, int back, int
                if (size == 0) {  if (cutoff > 1200) {  size = 300; }
                                                        else{  size = (cutoff / 4); }  } 
                else if (size > (cutoff / 4)) { 
-                               mothurOut("You have selected to large a window size for sequence " + query->getName() + ".  I will choose an appropriate window size."); mothurOutEndLine();
+                               mothurOut("You have selected too large a window size for sequence " + query->getName() + ".  I will choose an appropriate window size."); mothurOutEndLine();
                                size = (cutoff / 4); 
                }
        
@@ -251,9 +265,16 @@ float DeCalculator::calcDE(vector<float> obs, vector<float> exp) {
                
                //for each window
                float sum = 0.0;  //sum = sum from 1 to m of (oi-ei)^2
-               for (int m = 0; m < obs.size(); m++) {          sum += ((obs[m] - exp[m]) * (obs[m] - exp[m]));         }
+               int numZeros = 0;
+               for (int m = 0; m < obs.size(); m++) {          
                        
-               float de = sqrt((sum / (obs.size() - 1)));
+                       //if (obs[m] != 0.0) {
+                               sum += ((obs[m] - exp[m]) * (obs[m] - exp[m])); 
+                       //}else {  numZeros++;   }
+                       
+               }
+                       
+               float de = sqrt((sum / (obs.size() - 1 - numZeros)));
                        
                return de;
        }
@@ -366,6 +387,9 @@ vector< vector<quanMember> > DeCalculator::getQuantiles(vector<Sequence*> seqs,
                
                //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++){
@@ -402,13 +426,12 @@ vector< vector<quanMember> > DeCalculator::getQuantiles(vector<Sequence*> seqs,
                                float de = calcDE(obsi, exp);
                                                                
                                float dist = calcDist(query, subject, front, back); 
-                               
+       //o << i << '\t' <<  j << '\t' << dist << '\t' << de << endl;                   
                                dist = ceil(dist);
                                
                                quanMember newScore(de, i, j);
                                
-                               //dist-1 because vector indexes start at 0.
-                               quan[dist-1].push_back(newScore);
+                               quan[dist].push_back(newScore);
                                
                                delete subject;
                        }
@@ -424,19 +447,16 @@ vector< vector<quanMember> > DeCalculator::getQuantiles(vector<Sequence*> seqs,
                exit(1);
        }
 }
-
+//********************************************************************************************************************
+//sorts lowest to highest
+inline bool compareQuanMembers(quanMember left, quanMember right){
+       return (left.score < right.score);      
+} 
 //***************************************************************************************************************
 //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...
-vector< vector<float> > DeCalculator::removeObviousOutliers(vector< vector<quanMember> >& quantiles, int num) {
+void DeCalculator::removeObviousOutliers(vector< vector<quanMember> >& quantiles, int num) {
        try {
-               vector< vector<float> > quan; 
-               quan.resize(100);
-       
-               /*vector<quanMember> contributions;  
-               vector<int> seen;  //seen[0] is the number of outliers that template seqs[0] was part of.
-               seen.resize(num,0);
-                               
-               //find contributions
+                                               
                for (int i = 0; i < quantiles.size(); i++) {
                
                        //find mean of this quantile score
@@ -444,22 +464,21 @@ vector< vector<float> > DeCalculator::removeObviousOutliers(vector< vector<quanM
                        
                        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;
+                       
                        //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)) {
-                                       
-                               }else {
-                                       //add to contributions
-                                       contributions.push_back(quantiles[i][j]);
-                                       seen[quantiles[i][j].member1]++;
-                                       seen[quantiles[i][j].member2]++;
+                                       temp.push_back(quantiles[i][j]);
                                }
                        }
+                       
+                       quantiles[i] = temp;
                }
 
+/*
                //find contributer with most offending score related to it
                int largestContrib = findLargestContrib(seen);
        
@@ -538,7 +557,7 @@ cout << "high = " << high << endl;
                        
                }
 */
-               return quan;
+               
        }
        catch(exception& e) {
                errorOut(e, "DeCalculator", "removeObviousOutliers");
@@ -661,5 +680,300 @@ 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) {
+       try {
+               indexes.clear();
+               
+               vector<Sequence*> seqsMatches;  
+               vector<SeqDist> distsLeft;
+               vector<SeqDist> distsRight;
+               
+               Dist* distcalculator = new eachGapDist();
+               
+               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();
+               
+               //left side
+               bool foundFirstBase = false;
+               int baseCount = 0;
+               int leftSpot = 0;
+               int firstBaseSpot = 0;
+               for (int i = 0; i < queryAligned.length(); i++) {
+                       //if you are a base
+                       if (isalpha(queryAligned[i])) {         
+                               baseCount++; 
+                               if (!foundFirstBase) {   foundFirstBase = true;  firstBaseSpot = i;  }
+                       }
+                       
+                       //eliminate opening .'s
+                       if (foundFirstBase) {   leftQuery += queryAligned[i];  }
+                       //if you have 1/3
+                       if (baseCount >= numBases) {  leftSpot = i; break; } //first 1/3
+               }
+               
+               //right side - count through another 1/3, so you are at last third
+               baseCount = 0;
+               int rightSpot = 0;
+               for (int i = leftSpot; i < queryAligned.length(); i++) {
+                       //if you are a base
+                       if (isalpha(queryAligned[i])) {         baseCount++;    }
+                       //if you have 1/3
+                       if (baseCount >= numBases) { rightSpot = i;  break; } //last 1/3
+               }
+               
+               //trim end
+               //find last position in query that is a non gap character
+               int lastBaseSpot = queryAligned.length()-1;
+               for (int j = queryAligned.length()-1; j >= 0; j--) {
+                       if (isalpha(queryAligned[j])) {
+                               lastBaseSpot = j;
+                               break;
+                       }
+               }
+               rightQuery = queryAligned.substr(rightSpot, (lastBaseSpot-rightSpot)); //sequence from pos spot to end
+               
+               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++){
+                       
+                       string dbAligned = db[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);
+
+                       distcalculator->calcDist(queryLeft, dbLeft);
+                       float distLeft = distcalculator->getDist();
+                       
+                       distcalculator->calcDist(queryRight, dbRight);
+                       float distRight = distcalculator->getDist();
+                       
+                       SeqDist subjectLeft;
+                       subjectLeft.seq = db[j];
+                       subjectLeft.dist = distLeft;
+                       subjectLeft.index = j;
+                       
+                       distsLeft.push_back(subjectLeft);
+                       
+                       SeqDist subjectRight;
+                       subjectRight.seq = db[j];
+                       subjectRight.dist = distRight;
+                       subjectRight.index = j;
+                       
+                       distsRight.push_back(subjectRight);
+
+               }
+               
+               delete distcalculator;
+               
+               //sort by smallest distance
+               sort(distsRight.begin(), distsRight.end(), compareSeqDist);
+               sort(distsLeft.begin(), distsLeft.end(), compareSeqDist);
+               
+               //merge results         
+               map<string, string> seen;
+               map<string, string>::iterator it;
+               
+               vector<SeqDist> dists;
+               float lastRight = distsRight[0].dist;
+               float lastLeft = distsLeft[0].dist;
+               int lasti = 0;
+               for (int i = 0; i < distsLeft.size(); i++) {
+                       //add left if you havent already
+                       it = seen.find(distsLeft[i].seq->getName());
+                       if (it == seen.end()) {  
+                               dists.push_back(distsLeft[i]);
+                               seen[distsLeft[i].seq->getName()] = distsLeft[i].seq->getName();
+                               lastLeft =  distsLeft[i].dist;
+                       }
+
+                       //add right if you havent already
+                       it = seen.find(distsRight[i].seq->getName());
+                       if (it == seen.end()) {  
+                               dists.push_back(distsRight[i]);
+                               seen[distsRight[i].seq->getName()] = distsRight[i].seq->getName();
+                               lastRight =  distsRight[i].dist;
+                       }
+                       
+                       if (dists.size() > numWanted) { lasti = i; break; } //you have enough results
+               }
+               
+               //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++;
+               }
+               
+               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 < 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;
+       }
+       catch(exception& e) {
+               errorOut(e, "DeCalculator", "findClosest");
+               exit(1);
+       }
+}
+//***************************************************************************************************************
+Sequence* DeCalculator::findClosest(Sequence* querySeq, vector<Sequence*> db) {
+       try {
+               
+               Sequence* seqsMatch;  
+               
+               Dist* distcalculator = new eachGapDist();
+               int index = 0;
+               int smallest = 1000000;
+               
+               for(int j = 0; j < db.size(); j++){
+                       
+                       distcalculator->calcDist(*querySeq, *db[j]);
+                       float dist = distcalculator->getDist();
+                       
+                       if (dist < smallest) { 
+                               smallest = dist;
+                               index = j;
+                       }
+               }
+               
+               delete distcalculator;
+               
+               seqsMatch = new Sequence(db[index]->getName(), db[index]->getAligned()); //have to make a copy so you can trim and filter without stepping on eachother.
+                       
+               return seqsMatch;
+       }
+       catch(exception& e) {
+               errorOut(e, "DeCalculator", "findClosest");
+               exit(1);
+       }
+}
+/***************************************************************************************************************/
+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();
+               
+               //********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();
+                       int pos = 0;
+                       
+                       //find first spot in this seq
+                       for (int j = 0; j < aligned.length(); j++) {
+                               if (isalpha(aligned[j])) {
+                                       pos = j;
+                                       break;
+                               }
+                       }
+                       
+                       //save this spot if it is the farthest
+                       if (pos > frontPos) { frontPos = pos; }
+               }
+               
+               
+               string aligned = query->getAligned();
+               int pos = 0;
+                       
+               //find first position in query that is a non gap character
+               for (int j = 0; j < aligned.length(); j++) {
+                       if (isalpha(aligned[j])) {
+                               pos = j;
+                               break;
+                       }
+               }
+               
+               //save this spot if it is the farthest
+               if (pos > frontPos) { frontPos = pos; }
+               
+               
+               //********find last position in topMatches that is a non gap character***********//
+               for (int i = 0; i < topMatches.size(); i++) {
+                       
+                       string aligned = topMatches[i]->getAligned();
+                       int pos = aligned.length();
+                       
+                       //find first spot in this seq
+                       for (int j = aligned.length()-1; j >= 0; j--) {
+                               if (isalpha(aligned[j])) {
+                                       pos = j;
+                                       break;
+                               }
+                       }
+                       
+                       //save this spot if it is the farthest
+                       if (pos < rearPos) { rearPos = pos; }
+               }
+               
+               
+               aligned = query->getAligned();
+               pos = aligned.length();
+               
+               //find last position in query that is a non gap character
+               for (int j = aligned.length()-1; j >= 0; j--) {
+                       if (isalpha(aligned[j])) {
+                               pos = j;
+                               break;
+                       }
+               }
+               
+               //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) {  mothurOut("Error, when I trim your sequences, the entire sequence is trimmed."); 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;
+               }
+               
+               return trimmedPos;
+       }
+       catch(exception& e) {
+               errorOut(e, "DeCalculator", "trimSequences");
+               exit(1);
+       }
+
+}
+//***************************************************************************************************************
+