]> git.donarmstrong.com Git - mothur.git/blobdiff - maligner.cpp
working on chimera.slayer
[mothur.git] / maligner.cpp
index f06884fcad747a84e8c3d8ae673a5eabf839f2ec..2c2cb4bb30decaed945ba21e7bbdb171c86f817f 100644 (file)
@@ -8,12 +8,14 @@
  */
 
 #include "maligner.h"
-#include "kmerdb.hpp"
-#include "blastdb.hpp"
 
-/***********************************************************************/
-Maligner::Maligner(vector<Sequence*> temp, int num, int match, int misMatch, float div, int ms, int minCov, string mode, Database* dataLeft, Database* dataRight) :
-               db(temp), numWanted(num), matchScore(match), misMatchPenalty(misMatch), minDivR(div), minSimilarity(ms), minCoverage(minCov), searchMethod(mode), databaseLeft(dataLeft), databaseRight(dataRight) { m = MothurOut::getInstance(); }
+/***********************************************************************/ //int num, int match, int misMatch, , string mode, Database* dataLeft, Database* dataRight
+Maligner::Maligner(vector<Sequence*> temp, int match, int misMatch, float div, int ms, int minCov) : db(temp), matchScore(match), misMatchPenalty(misMatch), minDivR(div), minSimilarity(ms), minCoverage(minCov) { 
+                       //numWanted(num),  , searchMethod(mode), databaseLeft(dataLeft), databaseRight(dataRight)
+                       
+                       m = MothurOut::getInstance(); 
+                       
+}
 /***********************************************************************/
 string Maligner::getResults(Sequence* q, DeCalculator* decalc) {
        try {
@@ -25,19 +27,14 @@ string Maligner::getResults(Sequence* q, DeCalculator* decalc) {
                
                string chimera;
                
-               if (searchMethod == "distance") {
-                       //find closest seqs to query in template - returns copies of seqs so trim does not destroy - remember to deallocate
-                       refSeqs = decalc->findClosest(query, db, numWanted, indexes);
-               }else if (searchMethod == "blast")  {
-                       refSeqs = getBlastSeqs(query, numWanted); //fills indexes
-               }else if (searchMethod == "kmer") {
-                       refSeqs = getKmerSeqs(query, numWanted); //fills indexes
-               }else { m->mothurOut("not valid search."); exit(1);  } //should never get here
-               
-               if (m->control_pressed) { return chimera;  }
+               //copy refSeqs so that filter does not effect original
+               for(int i = 0; i < db.size(); i++) {  
+                       Sequence* newSeq = new Sequence(db[i]->getName(), db[i]->getAligned());
+                       refSeqs.push_back(newSeq);
+               }
                
                refSeqs = minCoverageFilter(refSeqs);
-
+               
                if (refSeqs.size() < 2)  { 
                        for (int i = 0; i < refSeqs.size(); i++) {  delete refSeqs[i];  }
                        percentIdenticalQueryChimera = 0.0;
@@ -45,7 +42,7 @@ string Maligner::getResults(Sequence* q, DeCalculator* decalc) {
                }
                
                int chimeraPenalty = computeChimeraPenalty();
-
+               
                //fills outputResults
                chimera = chimeraMaligner(chimeraPenalty, decalc);
                
@@ -71,12 +68,16 @@ string Maligner::chimeraMaligner(int chimeraPenalty, DeCalculator* decalc) {
                
                //trims seqs to first non gap char in all seqs and last non gap char in all seqs
                spotMap = decalc->trimSeqs(query, refSeqs);
+               
+               //you trimmed the whole sequence, skip
+               if (query->getAligned() == "") { return "no"; }
 
                vector<Sequence*> temp = refSeqs;
                temp.push_back(query);
-               
+                       
                verticalFilter(temp);
-//for (int i = 0; i < temp.size(); i++) { cout << temp[i]->getName() << '\n' << temp[i]->getAligned() << endl; } return "no";
+               
+               //for (int i = 0; i < refSeqs.size(); i++) { cout << refSeqs[i]->getName() << endl << refSeqs[i]->getAligned() << endl; }
 
                vector< vector<score_struct> > matrix = buildScoreMatrix(query->getAligned().length(), refSeqs.size()); //builds and initializes
                
@@ -84,23 +85,20 @@ string Maligner::chimeraMaligner(int chimeraPenalty, DeCalculator* decalc) {
                
                fillScoreMatrix(matrix, refSeqs, chimeraPenalty);
        
-               vector<score_struct> path = extractHighestPath(matrix);
-               
-               if (m->control_pressed) { return chimera;  }
+               vector<trace_struct> trace = extractHighestPath(matrix);
+                               
+               //cout << "traces\n";
+               //for(int i=0;i<trace.size();i++){
+               //      cout << trace[i].col << '\t' << trace[i].oldCol << '\t' << refSeqs[trace[i].row]->getName() << endl;
+               //}
                
-               vector<trace_struct> trace = mapTraceRegionsToAlignment(path, refSeqs);
-       
                if (trace.size() > 1) {         chimera = "yes";        }
-               else { chimera = "no";  }
+               else { chimera = "no";  return chimera; }
                
-               int traceStart = path[0].col;
-               int traceEnd = path[path.size()-1].col; 
+               int traceStart = trace[0].col;
+               int traceEnd = trace[trace.size()-1].oldCol;    
                string queryInRange = query->getAligned();
                queryInRange = queryInRange.substr(traceStart, (traceEnd-traceStart+1));
-       
-               string chimeraSeq = constructChimericSeq(trace, refSeqs);
-       
-               percentIdenticalQueryChimera = computePercentID(queryInRange, chimeraSeq);
                
                if (m->control_pressed) { return chimera;  }
                
@@ -113,7 +111,7 @@ string Maligner::chimeraMaligner(int chimeraPenalty, DeCalculator* decalc) {
                        results temp;
                        
                        temp.parent = refSeqs[seqIndex]->getName();
-                       temp.parentAligned = db[indexes[seqIndex]]->getAligned();
+                       temp.parentAligned = db[seqIndex]->getAligned();
                        temp.nastRegionStart = spotMap[regionStart];
                        temp.nastRegionEnd = spotMap[regionEnd];
                        temp.regionStart = regionStart;
@@ -124,7 +122,7 @@ string Maligner::chimeraMaligner(int chimeraPenalty, DeCalculator* decalc) {
                        
                        temp.queryToParent = computePercentID(queryInRange, parentInRange);
                        temp.divR = (percentIdenticalQueryChimera / temp.queryToParent);
-                       
+
                        string queryInRegion = query->getAligned();
                        queryInRegion = queryInRegion.substr(regionStart, (regionEnd-regionStart+1));
                        
@@ -132,10 +130,11 @@ string Maligner::chimeraMaligner(int chimeraPenalty, DeCalculator* decalc) {
                        parentInRegion = parentInRegion.substr(regionStart, (regionEnd-regionStart+1));
                        
                        temp.queryToParentLocal = computePercentID(queryInRegion, parentInRegion);
-               
+                       
+                       //cout << temp.parent << '\t' << "NAST:" << temp.nastRegionStart << '-' << temp.nastRegionEnd << " G:" << temp.queryToParent << " L:" << temp.queryToParentLocal << endl;
                        outputResults.push_back(temp);
                }
-
+               
                return chimera;
        }
        catch(exception& e) {
@@ -175,6 +174,8 @@ vector<Sequence*> Maligner::minCoverageFilter(vector<Sequence*> ref){
                        //if coverage above minimum
                        if (coverage > minCoverage) {
                                newRefs.push_back(ref[i]);
+                       }else {
+                               delete ref[i];
                        }
                }
                
@@ -191,9 +192,11 @@ int Maligner::computeChimeraPenalty() {
        try {
                
                int numAllowable = ((1.0 - (1.0/minDivR)) * query->getNumBases());
-       
+
+//             if(numAllowable < 1){   numAllowable = 1;       }
+               
                int penalty = int(numAllowable + 1) * misMatchPenalty;
-                                                                                        
+
                return penalty;
 
        }
@@ -258,9 +261,9 @@ void Maligner::verticalFilter(vector<Sequence*> seqs) {
 vector< vector<score_struct> > Maligner::buildScoreMatrix(int cols, int rows) {
        try{
                
-               vector< vector<score_struct> > m; m.resize(rows);
+               vector< vector<score_struct> > m(rows);
                
-               for (int i = 0; i < m.size(); i++) {
+               for (int i = 0; i < rows; i++) {
                        for (int j = 0; j < cols; j++) {
                                
                                //initialize each cell
@@ -281,7 +284,9 @@ vector< vector<score_struct> > Maligner::buildScoreMatrix(int cols, int rows) {
                exit(1);
        }
 }
+
 //***************************************************************************************************************
+
 void Maligner::fillScoreMatrix(vector<vector<score_struct> >& ms, vector<Sequence*> seqs, int penalty) {
        try{
                
@@ -297,10 +302,13 @@ void Maligner::fillScoreMatrix(vector<vector<score_struct> >& ms, vector<Sequenc
                        //are you both gaps?
                        if ((!isalpha(queryAligned[0])) && (!isalpha(subjectAligned[0]))) {
                                ms[i][0].score = 0;
-                       }else if (queryAligned[0] == subjectAligned[0]) {
+//                             ms[i][0].mismatches = 0;
+                       }else if (queryAligned[0] == subjectAligned[0])  { //|| subjectAligned[0] == 'N')
                                ms[i][0].score = matchScore;
+//                             ms[i][0].mismatches = 0;
                        }else{
                                ms[i][0].score = 0;
+//                             ms[i][0].mismatches = 1;
                        }
                }
                
@@ -316,11 +324,14 @@ void Maligner::fillScoreMatrix(vector<vector<score_struct> >& ms, vector<Sequenc
                                if ((!isalpha(queryAligned[j])) && (!isalpha(subjectAligned[j]))) {
                                        //leave the same
                                }else if ((toupper(queryAligned[j]) == 'N') || (toupper(subjectAligned[j]) == 'N')) {
+                                       //matchMisMatchScore = matchScore;
                                        //leave the same
                                }else if (queryAligned[j] == subjectAligned[j]) {
                                        matchMisMatchScore = matchScore;
+//                                     ms[i][j].mismatches = ms[i][j-1].mismatches;
                                }else if (queryAligned[j] != subjectAligned[j]) {
                                        matchMisMatchScore = misMatchPenalty;
+//                                     ms[i][j].mismatches = ms[i][j-1].mismatches + 1;
                                }
                                
                                //compute score based on previous columns scores
@@ -340,53 +351,123 @@ void Maligner::fillScoreMatrix(vector<vector<score_struct> >& ms, vector<Sequenc
                        }
                }
                
+       /*      for(int i=0;i<numRows;i++){
+                       cout << seqs[i]->getName();
+                       for(int j=0;j<numCols;j++){
+                               cout << '\t' << ms[i][j].mismatches;
+                       }
+                       cout << endl;
+               }
+               cout << endl;*/
+               /*cout << numRows << '\t' << numCols << endl;
+               for(int i=0;i<numRows;i++){
+                       cout << seqs[i]->getName() << endl << seqs[i]->getAligned() << endl << endl;
+                       if ((seqs[i]->getName() == "S000003470") || (seqs[i]->getName() == "S000383265") || (seqs[i]->getName() == "7000004128191054")) {
+                       for(int j=0;j<numCols;j++){
+                               cout << '\t' << ms[i][j].score;
+                       }
+                       cout << endl;
+                       }
+               }
+               cout << endl;*/
+               /*for(int i=0;i<numRows;i++){
+                       cout << seqs[i]->getName();
+                       for(int j=0;j<numCols;j++){
+                               cout << '\t' << ms[i][j].prev;
+                       }
+                       cout << endl;
+               }*/
+               
+               
        }
        catch(exception& e) {
                m->errorOut(e, "Maligner", "fillScoreMatrix");
                exit(1);
        }
 }
+
 //***************************************************************************************************************
-vector<score_struct> Maligner::extractHighestPath(vector<vector<score_struct> > ms) {
+
+vector<trace_struct> Maligner::extractHighestPath(vector<vector<score_struct> > ms) {
        try {
        
+               
                //get matrix dimensions
                int numCols = query->getAligned().length();
                int numRows = ms.size();
        
        
                //find highest score scoring matrix
-               score_struct highestStruct;
+               vector<score_struct> highestStruct;
                int highestScore = 0;
                
                for (int i = 0; i < numRows; i++) {
                        for (int j = 0; j < numCols; j++) {
                                if (ms[i][j].score > highestScore) {
                                        highestScore = ms[i][j].score;
-                                       highestStruct = ms[i][j];
+                                       highestStruct.resize(0);
+                                       highestStruct.push_back(ms[i][j]);
+                               }
+                               else if(ms[i][j].score == highestScore){
+                                       highestStruct.push_back(ms[i][j]);
                                }
                        }
                }
-                               
-               vector<score_struct> path;
+                       
+               //cout << endl << highestScore << '\t' << highestStruct.size() << '\t' << highestStruct[0].row << endl; 
                
-               int rowIndex = highestStruct.row;
-               int pos = highestStruct.col;
-               int score = highestStruct.score;
+               vector<trace_struct> maxTrace;
+               double maxPercentIdenticalQueryAntiChimera = 0;
                
-               while (pos >= 0 && score > 0) {
-                       score_struct temp = ms[rowIndex][pos];
-                       score = temp.score;
+               for(int i=0;i<highestStruct.size();i++){
                        
-                       if (score > 0) {        path.push_back(temp);   }
+                       vector<score_struct> path;
+
+                       int rowIndex = highestStruct[i].row;
+                       int pos = highestStruct[i].col;
+                       int score = highestStruct[i].score;
+                                       
+                       while (pos >= 0 && score > 0) {
+                               score_struct temp = ms[rowIndex][pos];
+                               score = temp.score;
+                               
+                               if (score > 0) {        path.push_back(temp);   }
+                               
+                               rowIndex = temp.prev;
+                               pos--;
+                       }
+
+                       reverse(path.begin(), path.end());
+
+                       vector<trace_struct> trace = mapTraceRegionsToAlignment(path, refSeqs);
+               
+                       //cout << "traces\n";
+                       //for(int j=0;j<trace.size();j++){
+                       //      cout << trace[j].col << '\t' << trace[j].oldCol << '\t' << refSeqs[trace[j].row]->getName() << endl;
+                       //}
+                                               
+                       int traceStart = path[0].col;
+                       int traceEnd = path[path.size()-1].col; 
+//                     cout << "traceStart/End\t" << traceStart << '\t' << traceEnd << endl;
+                       
+                       string queryInRange = query->getAligned();
+                       queryInRange = queryInRange.substr(traceStart, (traceEnd-traceStart+1));
+//                     cout << "here" << endl;
+                       string chimeraSeq = constructChimericSeq(trace, refSeqs);
+                       string antiChimeraSeq = constructAntiChimericSeq(trace, refSeqs);
+               
+                       percentIdenticalQueryChimera = computePercentID(queryInRange, chimeraSeq);                      
+                       double percentIdenticalQueryAntiChimera = computePercentID(queryInRange, antiChimeraSeq);
+//                     cout << i << '\t' << percentIdenticalQueryChimera << '\t' << percentIdenticalQueryAntiChimera << endl;
                        
-                       rowIndex = temp.prev;
-                       pos--;
+                       if(percentIdenticalQueryAntiChimera > maxPercentIdenticalQueryAntiChimera){
+                               maxPercentIdenticalQueryAntiChimera = percentIdenticalQueryAntiChimera;
+                               maxTrace = trace;
+                       }
                }
-
-               reverse(path.begin(), path.end());
+//             cout << maxPercentIdenticalQueryAntiChimera << endl;
+               return maxTrace;
        
-               return path;
                
        }
        catch(exception& e) {
@@ -394,7 +475,9 @@ vector<score_struct> Maligner::extractHighestPath(vector<vector<score_struct> >
                exit(1);
        }
 }
+
 //***************************************************************************************************************
+
 vector<trace_struct> Maligner::mapTraceRegionsToAlignment(vector<score_struct> path, vector<Sequence*> seqs) {
        try {
                vector<trace_struct> trace;
@@ -429,6 +512,13 @@ vector<trace_struct> Maligner::mapTraceRegionsToAlignment(vector<score_struct> p
                temp.row = region_index;
                trace.push_back(temp);
 
+//             cout << endl;
+//             cout << trace.size() << endl;
+//             for(int i=0;i<trace.size();i++){
+//                     cout << seqs[trace[i].row]->getName() << endl;
+//             }
+//             cout << endl;
+               
                return trace;
                
        }
@@ -437,12 +527,16 @@ vector<trace_struct> Maligner::mapTraceRegionsToAlignment(vector<score_struct> p
                exit(1);
        }
 }
+
 //***************************************************************************************************************
+
 string Maligner::constructChimericSeq(vector<trace_struct> trace, vector<Sequence*> seqs) {
        try {
                string chimera = "";
                
                for (int i = 0; i < trace.size(); i++) {
+//                     cout << i << '\t' << trace[i].row << '\t' << trace[i].col << '\t' << trace[i].oldCol << endl;
+                       
                        string seqAlign = seqs[trace[i].row]->getAligned();
                        seqAlign = seqAlign.substr(trace[i].col, (trace[i].oldCol-trace[i].col+1));
                        chimera += seqAlign;
@@ -455,6 +549,31 @@ string Maligner::constructChimericSeq(vector<trace_struct> trace, vector<Sequenc
                exit(1);
        }
 }
+
+//***************************************************************************************************************
+
+string Maligner::constructAntiChimericSeq(vector<trace_struct> trace, vector<Sequence*> seqs) {
+       try {
+               string antiChimera = "";
+               
+               for (int i = 0; i < trace.size(); i++) {
+//                     cout << i << '\t' << (trace.size() - i - 1) << '\t' << trace[i].row << '\t' << trace[i].col << '\t' << trace[i].oldCol << endl;
+                       
+                       int oppositeIndex = trace.size() - i - 1;
+                       
+                       string seqAlign = seqs[trace[oppositeIndex].row]->getAligned();
+                       seqAlign = seqAlign.substr(trace[i].col, (trace[i].oldCol-trace[i].col+1));
+                       antiChimera += seqAlign;
+               }
+               
+               return antiChimera;
+       }
+       catch(exception& e) {
+               m->errorOut(e, "Maligner", "constructChimericSeq");
+               exit(1);
+       }
+}
+
 //***************************************************************************************************************
 float Maligner::computePercentID(string queryAlign, string chimera) {
        try {
@@ -492,142 +611,3 @@ float Maligner::computePercentID(string queryAlign, string chimera) {
        }
 }
 //***************************************************************************************************************
-vector<Sequence*> Maligner::getBlastSeqs(Sequence* q, int num) {
-       try {   
-               indexes.clear();
-               vector<Sequence*> refResults;
-               //generate blastdb
-               Database* database = new BlastDB(-2.0, -1.0, matchScore, misMatchPenalty);
-               for (int i = 0; i < db.size(); i++) {   database->addSequence(*db[i]);  }
-               database->generateDB();
-               database->setNumSeqs(db.size());
-               
-               //get parts of query
-               string queryUnAligned = q->getUnaligned();
-               string leftQuery = queryUnAligned.substr(0, int(queryUnAligned.length() * 0.33)); //first 1/3 of the sequence
-               string rightQuery = queryUnAligned.substr(int(queryUnAligned.length() * 0.66)); //last 1/3 of the sequence
-
-               Sequence* queryLeft = new Sequence(q->getName(), leftQuery);
-               Sequence* queryRight = new Sequence(q->getName(), rightQuery);
-               
-               vector<int> tempIndexesRight = database->findClosestMegaBlast(queryRight, num+1);
-               vector<int> tempIndexesLeft = database->findClosestMegaBlast(queryLeft, num+1);
-               
-               //if ((tempIndexesRight.size() != (num+1)) || (tempIndexesLeft.size() != (num+1)))  {  m->mothurOut("megablast returned " + toString(tempIndexesRight.size()) + " results for the right end, and " + toString(tempIndexesLeft.size()) + " for the left end. Needed " + toString(num+1) + ". Unable to porcess sequence " + q->getName()); m->mothurOutEndLine(); return refResults; }
-               
-               vector<int> smaller;
-               vector<int> larger;
-               
-               if (tempIndexesRight.size() < tempIndexesLeft.size()) { smaller = tempIndexesRight;  larger = tempIndexesLeft; }
-               else { smaller = tempIndexesLeft; larger = tempIndexesRight; } 
-               
-               //merge results         
-               map<int, int> seen;
-               map<int, int>::iterator it;
-               
-               vector<int> mergedResults;
-               for (int i = 0; i < smaller.size(); i++) {
-                       //add left if you havent already
-                       it = seen.find(smaller[i]);
-                       if (it == seen.end()) {  
-                               mergedResults.push_back(smaller[i]);
-                               seen[smaller[i]] = smaller[i];
-                       }
-
-                       //add right if you havent already
-                       it = seen.find(larger[i]);
-                       if (it == seen.end()) {  
-                               mergedResults.push_back(larger[i]);
-                               seen[larger[i]] = larger[i];
-                       }
-               }
-               
-               for (int i = smaller.size(); i < larger.size(); i++) {
-                       it = seen.find(larger[i]);
-                       if (it == seen.end()) {  
-                               mergedResults.push_back(larger[i]);
-                               seen[larger[i]] = larger[i];
-                       }
-               }
-               
-               if (mergedResults.size() < numWanted) { numWanted = mergedResults.size(); }
-//cout << q->getName() <<  endl;               
-               for (int i = 0; i < numWanted; i++) {
-//cout << db[mergedResults[i]]->getName() << endl;     
-                       if (db[mergedResults[i]]->getName() != q->getName()) { 
-                               Sequence* temp = new Sequence(db[mergedResults[i]]->getName(), db[mergedResults[i]]->getAligned());
-                               refResults.push_back(temp);
-                               indexes.push_back(mergedResults[i]);
-                       }
-//cout << mergedResults[i] << endl;
-               }
-//cout << endl;                
-               delete queryRight;
-               delete queryLeft;
-               delete database;
-               
-               return refResults;
-       }
-       catch(exception& e) {
-               m->errorOut(e, "Maligner", "getBlastSeqs");
-               exit(1);
-       }
-}
-//***************************************************************************************************************
-vector<Sequence*> Maligner::getKmerSeqs(Sequence* q, int num) {
-       try {   
-               indexes.clear();
-               
-               //get parts of query
-               string queryUnAligned = q->getUnaligned();
-               string leftQuery = queryUnAligned.substr(0, int(queryUnAligned.length() * 0.33)); //first 1/3 of the sequence
-               string rightQuery = queryUnAligned.substr(int(queryUnAligned.length() * 0.66)); //last 1/3 of the sequence
-
-               Sequence* queryLeft = new Sequence(q->getName(), leftQuery);
-               Sequence* queryRight = new Sequence(q->getName(), rightQuery);
-               
-               vector<int> tempIndexesLeft = databaseLeft->findClosestSequences(queryLeft, numWanted);
-               vector<int> tempIndexesRight = databaseRight->findClosestSequences(queryRight, numWanted);
-               
-               //merge results         
-               map<int, int> seen;
-               map<int, int>::iterator it;
-               
-               vector<int> mergedResults;
-               for (int i = 0; i < tempIndexesLeft.size(); i++) {
-                       //add left if you havent already
-                       it = seen.find(tempIndexesLeft[i]);
-                       if (it == seen.end()) {  
-                               mergedResults.push_back(tempIndexesLeft[i]);
-                               seen[tempIndexesLeft[i]] = tempIndexesLeft[i];
-                       }
-
-                       //add right if you havent already
-                       it = seen.find(tempIndexesRight[i]);
-                       if (it == seen.end()) {  
-                               mergedResults.push_back(tempIndexesRight[i]);
-                               seen[tempIndexesRight[i]] = tempIndexesRight[i];
-                       }
-               }
-               
-//cout << q->getName() << endl;                
-               vector<Sequence*> refResults;
-               for (int i = 0; i < numWanted; i++) {
-//cout << db[mergedResults[i]]->getName() << endl;     
-                       Sequence* temp = new Sequence(db[mergedResults[i]]->getName(), db[mergedResults[i]]->getAligned());
-                       refResults.push_back(temp);
-                       indexes.push_back(mergedResults[i]);
-               }
-//cout << endl;                
-               delete queryRight;
-               delete queryLeft;
-               
-               return refResults;
-       }
-       catch(exception& e) {
-               m->errorOut(e, "Maligner", "getBlastSeqs");
-               exit(1);
-       }
-}
-//***************************************************************************************************************
-