--- /dev/null
+/*
+ * mySeqNoise.cpp
+ *
+ *
+ * Created by Pat Schloss on 8/31/11.
+ * Copyright 2011 Patrick D. Schloss. All rights reserved.
+ *
+ */
+
+#include "seqnoise.h"
+#include "sequence.hpp"
+
+#define MIN_DELTA 1.0e-6
+#define MIN_ITER 20
+#define MAX_ITER 1000
+#define MIN_COUNT 0.1
+#define MIN_TAU 1.0e-4
+#define MIN_WEIGHT 0.1
+
+
+/**************************************************************************************************/
+int seqNoise::getSequenceData(string sequenceFileName, vector<string>& sequences){
+ try {
+
+ ifstream sequenceFile;
+ m->openInputFile(sequenceFileName, sequenceFile);
+
+ while(!sequenceFile.eof()){
+
+ if (m->control_pressed) { break; }
+
+ Sequence temp(sequenceFile); m->gobble(sequenceFile);
+
+ if (temp.getName() != "") {
+ sequences.push_back(temp.getAligned());
+ }
+ }
+ sequenceFile.close();
+
+ return 0;
+ }
+ catch(exception& e) {
+ m->errorOut(e, "seqNoise", "getSequenceData");
+ exit(1);
+ }
+}
+/**************************************************************************************************/
+int seqNoise::addSeq(string seq, vector<string>& sequences){
+ try {
+ sequences.push_back(seq);
+ return 0;
+ }
+ catch(exception& e) {
+ m->errorOut(e, "seqNoise", "addSeq");
+ exit(1);
+ }
+}
+/**************************************************************************************************/
+//no checks for file mismatches
+int seqNoise::getRedundantNames(string namesFileName, vector<string>& uniqueNames, vector<string>& redundantNames, vector<int>& seqFreq){
+ try {
+ string unique, redundant;
+ ifstream namesFile;
+ m->openInputFile(namesFileName, namesFile);
+
+ for(int i=0;i<redundantNames.size();i++){
+
+ if (m->control_pressed) { break; }
+
+ namesFile >> uniqueNames[i]; m->gobble(namesFile);
+ namesFile >> redundantNames[i]; m->gobble(namesFile);
+
+ seqFreq[i] = m->getNumNames(redundantNames[i]);
+ }
+ namesFile.close();
+
+ return 0;
+ }
+ catch(exception& e) {
+ m->errorOut(e, "seqNoise", "getRedundantNames");
+ exit(1);
+ }
+}
+/**************************************************************************************************/
+int seqNoise::addRedundantName(string uniqueName, string redundantName, vector<string>& uniqueNames, vector<string>& redundantNames, vector<int>& seqFreq){
+ try {
+
+ uniqueNames.push_back(uniqueName);
+ redundantNames.push_back(redundantName);
+ seqFreq.push_back(m->getNumNames(redundantName));
+
+ return 0;
+ }
+ catch(exception& e) {
+ m->errorOut(e, "seqNoise", "addRedundantName");
+ exit(1);
+ }
+}
+/**************************************************************************************************/
+int seqNoise::getDistanceData(string distFileName, vector<double>& distances){
+ try {
+
+ ifstream distFile;
+ m->openInputFile(distFileName, distFile);
+
+ int numSeqs = 0;
+ string name = "";
+
+ distFile >> numSeqs;
+
+ for(int i=0;i<numSeqs;i++){
+
+ if (m->control_pressed) { break; }
+
+ distances[i * numSeqs + i] = 0.0000;
+
+ distFile >> name;
+
+ for(int j=0;j<i;j++){
+ distFile >> distances[i * numSeqs + j];
+ distances[j * numSeqs + i] = distances[i * numSeqs + j];
+ }
+ }
+
+ distFile.close();
+
+ return 0;
+ }
+ catch(exception& e) {
+ m->errorOut(e, "seqNoise", "getDistanceData");
+ exit(1);
+ }
+}
+
+/**************************************************************************************************/
+int seqNoise::getListData(string listFileName, double cutOff, vector<int>& otuData, vector<int>& otuFreq, vector<vector<int> >& otuBySeqLookUp){
+ try {
+
+ ifstream listFile;
+ m->openInputFile(listFileName, listFile);
+ double threshold;
+ int numOTUs;
+
+ if(listFile.peek() == 'u'){ m->getline(listFile); }
+
+ while(listFile){
+ listFile >> threshold;
+
+ if(threshold < cutOff){
+ m->getline(listFile);
+ }
+ else{
+ listFile >> numOTUs;
+ otuFreq.resize(numOTUs, 0);
+
+ for(int i=0;i<numOTUs;i++){
+
+ if (m->control_pressed) { return 0; }
+
+ string otu;
+ listFile >> otu;
+
+ int count = 0;
+
+ string number = "";
+
+ for(int j=0;j<otu.size();j++){
+ if(otu[j] != ','){
+ number += otu[j];
+ }
+ else{
+ int index = atoi(number.c_str());
+ otuData[index] = i;
+ count++;
+ number = "";
+ }
+ }
+
+ int index = atoi(number.c_str());
+ otuData[index] = i;
+ count++;
+
+ otuFreq[i] = count;
+ }
+
+ otuBySeqLookUp.resize(numOTUs);
+
+ int numSeqs = otuData.size();
+
+ for(int i=0;i<numSeqs;i++){
+ if (m->control_pressed) { return 0; }
+ otuBySeqLookUp[otuData[i]].push_back(i);
+ }
+ for(int i=0;i<numOTUs;i++){
+ if (m->control_pressed) { return 0; }
+ for(int j=otuBySeqLookUp[i].size();j<numSeqs;j++){
+ otuBySeqLookUp[i].push_back(0);
+ }
+ }
+
+ break;
+ }
+ }
+ return 0;
+ }
+ catch(exception& e) {
+ m->errorOut(e, "seqNoise", "getListData");
+ exit(1);
+ }
+}
+
+/**************************************************************************************************/
+int seqNoise::updateOTUCountData(vector<int> otuFreq,
+ vector<vector<int> > otuBySeqLookUp,
+ vector<vector<int> > aanI,
+ vector<int>& anP,
+ vector<int>& anI,
+ vector<int>& cumCount
+ ){
+ try {
+ int numOTUs = otuFreq.size();
+
+ int count = 0;
+
+ for(int i=0;i<numOTUs;i++){
+ cumCount[i] = count;
+
+ if (m->control_pressed) { return 0; }
+
+ for(int j=0;j<otuFreq[i];j++){
+ anP[count] = otuBySeqLookUp[i][j];
+ anI[count] = aanI[i][j];
+
+ count++;
+ }
+ }
+
+ return 0;
+ }
+ catch(exception& e) {
+ m->errorOut(e, "seqNoise", "updateOTUCountData");
+ exit(1);
+ }
+}
+/**************************************************************************************************/
+double seqNoise::calcNewWeights(
+ vector<double>& weights, //
+ vector<int> seqFreq, //
+ vector<int> anI, //
+ vector<int> cumCount, //
+ vector<int> anP, //
+ vector<int> otuFreq, //
+ vector<double> tau //
+ ){
+ try {
+
+ int numOTUs = weights.size();
+ double maxChange = -1;
+
+ cout.flush();
+
+ for(int i=0;i<numOTUs;i++){
+
+ if (m->control_pressed) { return 0; }
+
+ double change = weights[i];
+
+ weights[i] = 0.0000;
+
+ for(int j=0;j<otuFreq[i];j++){
+
+ int index1 = cumCount[i] + j;
+ int index2 = anI[index1];
+
+ double currentTau = tau[anP[index1]];
+ double freq = double(seqFreq[index2]);
+
+ weights[i] += currentTau * freq;
+ }
+ change = fabs(weights[i] - change);
+
+ if(change > maxChange){ maxChange = change; }
+ cout.flush();
+ }
+ return maxChange;
+
+ }
+ catch(exception& e) {
+ m->errorOut(e, "seqNoise", "calcNewWeights");
+ exit(1);
+ }
+}
+
+/**************************************************************************************************/
+
+int seqNoise::calcCentroids(
+ vector<int> anI,
+ vector<int> anP,
+ vector<int>& change,
+ vector<int>& centroids,
+ vector<int> cumCount,
+ vector<double> distances,///
+ vector<int> seqFreq,
+ vector<int> otuFreq,
+ vector<double> tau
+ ){
+ try {
+ int numOTUs = change.size();
+ int numSeqs = seqFreq.size();
+
+ for(int i=0;i<numOTUs;i++){
+
+ if (m->control_pressed) { return 0; }
+
+ int minFIndex = -1;
+ double minFValue = 1e10;
+
+ change[i] = 0;
+ double count = 0.00000;
+
+ int freqOfOTU = otuFreq[i];
+
+ for(int j=0;j<freqOfOTU;j++){
+ int index = cumCount[i] + j;
+ count += seqFreq[anI[index]]*tau[anP[index]];
+ }
+
+ if(freqOfOTU > 0 && count > MIN_COUNT){
+
+ vector<double> adF(freqOfOTU);
+ vector<int> anL(freqOfOTU);
+
+ for(int j=0;j<freqOfOTU;j++){
+ anL[j] = anI[cumCount[i] + j];
+ adF[j] = 0.0000;
+ }
+
+ for(int j=0;j<freqOfOTU;j++){
+ int index = cumCount[i] + j;
+ double curTau = tau[anP[index]];
+
+ for(int k=0;k<freqOfOTU;k++){
+ double dist = distances[anL[j]*numSeqs + anL[k]];
+
+ adF[k] += dist * curTau * seqFreq[anL[j]];
+ }
+ }
+
+ for(int j=0;j<freqOfOTU;j++){
+ if(adF[j] < minFValue){
+ minFIndex = j;
+ minFValue = adF[j];
+ }
+ }
+
+ if(centroids[i] != anL[minFIndex]){
+ change[i] = 1;
+ centroids[i] = anL[minFIndex];
+ }
+ }
+ else if(centroids[i] != -1){
+ change[i] = 1;
+ centroids[i] = -1;
+ }
+ }
+
+ return 0;
+ }
+ catch(exception& e) {
+ m->errorOut(e, "seqNoise", "calcCentroids");
+ exit(1);
+ }
+}
+
+/**************************************************************************************************/
+
+int seqNoise::checkCentroids(vector<double>& weights, vector<int> centroids){
+ try {
+ int numOTUs = centroids.size();
+ vector<int> unique(numOTUs, 1);
+
+ double minWeight = MIN_WEIGHT;
+ for(int i=0;i<numOTUs;i++){
+ if (m->control_pressed) { return 0; }
+ if(weights[i] < minWeight){ unique[i] = -1; }
+ }
+
+ for(int i=0;i<numOTUs;i++){
+ if (m->control_pressed) { return 0; }
+ if(unique[i] == 1){
+ for(int j=i+1; j<numOTUs;j++){
+ if(unique[j] == 1){
+ if(centroids[i] == centroids[j]){
+ unique[j] = 0;
+ weights[i] += weights[j];
+ weights[j] = 0;
+ }
+ }
+ }
+ }
+ }
+
+ return 0;
+ }
+ catch(exception& e) {
+ m->errorOut(e, "seqNoise", "checkCentroids");
+ exit(1);
+ }
+}
+
+/**************************************************************************************************/
+
+int seqNoise::setUpOTUData(vector<int>& otuData, vector<double>& percentage, vector<int> cumCount, vector<double> tau, vector<int> otuFreq, vector<int> anP, vector<int> anI){
+ try {
+
+ int numOTUs = cumCount.size();
+ int numSeqs = otuData.size();
+
+ vector<double> bestTau(numSeqs, 0);
+ vector<double> bestIndex(numSeqs, -1);
+
+ for(int i=0;i<numOTUs;i++){
+ if (m->control_pressed) { return 0; }
+ for(int j=0;j<otuFreq[i];j++){
+
+ int index1 = cumCount[i] + j;
+ double thisTau = tau[anP[index1]];
+ int index2 = anI[index1];
+
+ if(thisTau > bestTau[index2]){
+ bestTau[index2] = thisTau;
+ bestIndex[index2] = i;
+ }
+ }
+ }
+
+ for(int i=0;i<numSeqs;i++){
+ if (m->control_pressed) { return 0; }
+ otuData[i] = bestIndex[i];
+ percentage[i] = 1 - bestTau[i];
+ }
+ return 0;
+ }
+ catch(exception& e) {
+ m->errorOut(e, "seqNoise", "setUpOTUData");
+ exit(1);
+ }
+}
+
+/**************************************************************************************************/
+
+int seqNoise::finishOTUData(vector<int> otuData, vector<int>& otuFreq, vector<int>& anP, vector<int>& anI, vector<int>& cumCount, vector<vector<int> >& otuBySeqLookUp, vector<vector<int> >& aanI, vector<double>& tau){
+ try {
+ int numSeqs = otuData.size();
+ int numOTUs = otuFreq.size();
+ int total = numSeqs;
+
+ otuFreq.assign(numOTUs, 0);
+ tau.assign(numSeqs, 1);
+ anP.assign(numSeqs, 0);
+ anI.assign(numSeqs, 0);
+
+ for(int i=0;i<numSeqs;i++){
+ if (m->control_pressed) { return 0; }
+ int otu = otuData[i];
+ total++;
+
+ otuBySeqLookUp[otu][otuFreq[otu]] = i;
+ aanI[otu][otuFreq[otu]] = i;
+ otuFreq[otu]++;
+ }
+ updateOTUCountData(otuFreq, otuBySeqLookUp, aanI, anP, anI, cumCount);
+ return 0;
+ }
+ catch(exception& e) {
+ m->errorOut(e, "seqNoise", "finishOTUData");
+ exit(1);
+ }
+}
+
+/**************************************************************************************************/
+
+int seqNoise::getLastMatch(char direction, vector<vector<char> >& alignMoves, int i, int j, vector<int>& seqA, vector<int>& seqB){
+ try{
+ char nullReturn = -1;
+
+ while(i>=1 && j>=1){
+ if (m->control_pressed) { return nullReturn; }
+ if(direction == 'd'){
+ if(seqA[i-1] == seqB[j-1]) { return seqA[i-1]; }
+ else { return nullReturn; }
+ }
+
+ else if(direction == 'l') { j--; }
+ else { i--; }
+
+ direction = alignMoves[i][j];
+ }
+
+ return nullReturn;
+ }
+ catch(exception& e) {
+ m->errorOut(e, "seqNoise", "getLastMatch");
+ exit(1);
+ }
+}
+
+/**************************************************************************************************/
+
+int seqNoise::countDiffs(vector<int> query, vector<int> ref){
+ try {
+ //double MATCH = 5.0;
+ //double MISMATCH = -2.0;
+ //double GAP = -2.0;
+
+ vector<vector<double> > correctMatrix(4);
+ for(int i=0;i<4;i++){ correctMatrix[i].resize(4); }
+
+ correctMatrix[0][0] = 0.000000; //AA
+ correctMatrix[1][0] = 11.619259; //CA
+ correctMatrix[2][0] = 11.694004; //TA
+ correctMatrix[3][0] = 7.748623; //GA
+
+ correctMatrix[1][1] = 0.000000; //CC
+ correctMatrix[2][1] = 7.619657; //TC
+ correctMatrix[3][1] = 12.852562; //GC
+
+ correctMatrix[2][2] = 0.000000; //TT
+ correctMatrix[3][2] = 10.964048; //TG
+
+ correctMatrix[3][3] = 0.000000; //GG
+
+ for(int i=0;i<4;i++){
+ for(int j=0;j<i;j++){
+ correctMatrix[j][i] = correctMatrix[i][j];
+ }
+ }
+
+ int queryLength = query.size();
+ int refLength = ref.size();
+
+ vector<vector<double> > alignMatrix(queryLength + 1);
+ vector<vector<char> > alignMoves(queryLength + 1);
+
+ for(int i=0;i<=queryLength;i++){
+ if (m->control_pressed) { return 0; }
+ alignMatrix[i].resize(refLength + 1, 0);
+ alignMoves[i].resize(refLength + 1, 'x');
+ }
+
+ for(int i=0;i<=queryLength;i++){
+ if (m->control_pressed) { return 0; }
+ alignMatrix[i][0] = 15.0 * i;
+ alignMoves[i][0] = 'u';
+ }
+
+ for(int i=0;i<=refLength;i++){
+ if (m->control_pressed) { return 0; }
+ alignMatrix[0][i] = 15.0 * i;
+ alignMoves[0][i] = 'l';
+ }
+
+ for(int i=1;i<=queryLength;i++){
+ if (m->control_pressed) { return 0; }
+ for(int j=1;j<=refLength;j++){
+
+ double nogap;
+ nogap = alignMatrix[i-1][j-1] + correctMatrix[query[i-1]][ref[j-1]];
+
+
+ double gap;
+ double left;
+ if(i == queryLength){ //terminal gap
+ left = alignMatrix[i][j-1];
+ }
+ else{
+ if(ref[j-1] == getLastMatch('l', alignMoves, i, j, query, ref)){
+ gap = 4.0;
+ }
+ else{
+ gap = 15.0;
+ }
+
+ left = alignMatrix[i][j-1] + gap;
+ }
+
+
+ double up;
+ if(j == refLength){ //terminal gap
+ up = alignMatrix[i-1][j];
+ }
+ else{
+
+ if(query[i-1] == getLastMatch('u', alignMoves, i, j, query, ref)){
+ gap = 4.0;
+ }
+ else{
+ gap = 15.0;
+ }
+
+ up = alignMatrix[i-1][j] + gap;
+ }
+
+
+
+ if(nogap < left){
+ if(nogap < up){
+ alignMoves[i][j] = 'd';
+ alignMatrix[i][j] = nogap;
+ }
+ else{
+ alignMoves[i][j] = 'u';
+ alignMatrix[i][j] = up;
+ }
+ }
+ else{
+ if(left < up){
+ alignMoves[i][j] = 'l';
+ alignMatrix[i][j] = left;
+ }
+ else{
+ alignMoves[i][j] = 'u';
+ alignMatrix[i][j] = up;
+ }
+ }
+ }
+ }
+
+ int i = queryLength;
+ int j = refLength;
+ int diffs = 0;
+
+ // string alignA = "";
+ // string alignB = "";
+ // string bases = "ACTG";
+
+ while(i > 0 && j > 0){
+ if (m->control_pressed) { return 0; }
+ if(alignMoves[i][j] == 'd'){
+ // alignA = bases[query[i-1]] + alignA;
+ // alignB = bases[ref[j-1]] + alignB;
+
+ if(query[i-1] != ref[j-1]) { diffs++; }
+
+ i--;
+ j--;
+ }
+ else if(alignMoves[i][j] == 'u'){
+ if(j != refLength){
+ // alignA = bases[query[i-1]] + alignA;
+ // alignB = '-' + alignB;
+
+ diffs++;
+ }
+
+ i--;
+ }
+ else if(alignMoves[i][j] == 'l'){
+ if(i != queryLength){
+ // alignA = '-' + alignA;
+ // alignB = bases[ref[j-1]] + alignB;
+
+ diffs++;
+ }
+
+ j--;
+ }
+ }
+
+ // cout << diffs << endl;
+ // cout << alignA << endl;
+ // cout << alignB << endl;
+ // cout << endl;
+
+ return diffs;
+ }
+ catch(exception& e) {
+ m->errorOut(e, "seqNoise", "countDiffs");
+ exit(1);
+ }
+
+}
+
+/**************************************************************************************************/
+
+vector<int> seqNoise::convertSeq(string bases){
+ try {
+ vector<int> numbers(bases.length(), -1);
+
+ for(int i=0;i<bases.length();i++){
+ if (m->control_pressed) { return numbers; }
+
+ char b = bases[i];
+
+ if(b == 'A') { numbers[i] = 0; }
+ else if(b=='C') { numbers[i] = 1; }
+ else if(b=='T') { numbers[i] = 2; }
+ else if(b=='G') { numbers[i] = 3; }
+ else { numbers[i] = 0; }
+ }
+
+ return numbers;
+ }
+ catch(exception& e) {
+ m->errorOut(e, "seqNoise", "convertSeq");
+ exit(1);
+ }
+}
+
+/**************************************************************************************************/
+
+string seqNoise::degapSeq(string aligned){
+ try {
+ string unaligned = "";
+
+ for(int i=0;i<aligned.length();i++){
+
+ if (m->control_pressed) { return ""; }
+
+ if(aligned[i] != '-' && aligned[i] != '.'){
+ unaligned += aligned[i];
+ }
+ }
+
+ return unaligned;
+ }
+ catch(exception& e) {
+ m->errorOut(e, "seqNoise", "degapSeq");
+ exit(1);
+ }
+}
+
+/**************************************************************************************************/
+
+int seqNoise::writeOutput(string fastaFileName, string namesFileName, string uMapFileName, vector<int> finalTau, vector<int> centroids, vector<int> otuData, vector<string> sequences, vector<string> uniqueNames, vector<string> redundantNames, vector<int> seqFreq, vector<double>& distances){
+ try {
+ int numOTUs = finalTau.size();
+ int numSeqs = uniqueNames.size();
+
+ ofstream fastaFile(fastaFileName.c_str());
+ ofstream namesFile(namesFileName.c_str());
+ ofstream uMapFile(uMapFileName.c_str());
+
+ vector<int> maxSequenceAbund(numOTUs, 0);
+ vector<int> maxSequenceIndex(numOTUs, 0);
+
+ for(int i=0;i<numSeqs;i++){
+ if (m->control_pressed) { return 0; }
+ if(maxSequenceAbund[otuData[i]] < seqFreq[i]){
+ maxSequenceAbund[otuData[i]] = seqFreq[i];
+ maxSequenceIndex[otuData[i]] = i;
+ }
+ }
+
+ int count = 1;
+
+ for(int i=0;i<numOTUs;i++){
+ if (m->control_pressed) { return 0; }
+
+ if(finalTau[i] > 0){
+
+ if(maxSequenceIndex[i] != centroids[i] && distances[maxSequenceIndex[i]*numSeqs + centroids[i]] == 0){
+ // cout << uniqueNames[centroids[i]] << '\t' << uniqueNames[maxSequenceIndex[i]] << '\t' << count << endl;
+ centroids[i] = maxSequenceIndex[i];
+ }
+
+ int index = centroids[i];
+
+ fastaFile << '>' << uniqueNames[index] << endl << sequences[index] << endl;
+ namesFile << uniqueNames[index] << '\t';
+
+ string refSeq = sequences[index];
+ string redundantSeqs = redundantNames[index];;
+
+
+ vector<freqData> frequencyData;
+
+ for(int j=0;j<numSeqs;j++){
+ if(otuData[j] == i && j != index){
+ frequencyData.push_back(freqData(j, seqFreq[j]));
+ }
+ }
+ sort(frequencyData.rbegin(), frequencyData.rend());
+
+ string refDegap = degapSeq(refSeq);
+ vector<int> rUnalign = convertSeq(refDegap);
+
+ uMapFile << "ideal_seq_" << count << '\t' << finalTau[i] << endl;
+ uMapFile << uniqueNames[index] << '\t' << seqFreq[index] << "\t0\t" << refDegap << endl;
+
+
+ for(int j=0;j<frequencyData.size();j++){
+ if (m->control_pressed) { return 0; }
+ redundantSeqs += ',' + redundantNames[frequencyData[j].index];
+
+ uMapFile << uniqueNames[frequencyData[j].index] << '\t' << seqFreq[frequencyData[j].index] << '\t';
+
+ string querySeq = sequences[frequencyData[j].index];
+
+ string queryDegap = degapSeq(querySeq);
+ vector<int> qUnalign = convertSeq(queryDegap);
+
+ int udiffs = countDiffs(qUnalign, rUnalign);
+ uMapFile << udiffs << '\t' << queryDegap << endl;
+
+ }
+
+ uMapFile << endl;
+ namesFile << redundantSeqs << endl;
+ count++;
+
+ }
+ }
+ fastaFile.close();
+ namesFile.close();
+ uMapFile.close();
+ return 0;
+ }
+ catch(exception& e) {
+ m->errorOut(e, "seqNoise", "writeOutput");
+ exit(1);
+ }
+}
+
+/**************************************************************************************************
+
+int main(int argc, char *argv[]){
+
+ double sigma = 100;
+ sigma = atof(argv[5]);
+
+ double cutOff = 0.08;
+ int minIter = 10;
+ int maxIter = 1000;
+ double minDelta = 1e-6;
+
+ string sequenceFileName = argv[1];
+ string fileNameStub = sequenceFileName.substr(0,sequenceFileName.find_last_of('.')) + ".shhh";
+
+ vector<string> sequences;
+ getSequenceData(sequenceFileName, sequences);
+
+ int numSeqs = sequences.size();
+
+ vector<string> uniqueNames(numSeqs);
+ vector<string> redundantNames(numSeqs);
+ vector<int> seqFreq(numSeqs);
+
+ string namesFileName = argv[4];
+ getRedundantNames(namesFileName, uniqueNames, redundantNames, seqFreq);
+
+ string distFileName = argv[2];
+ vector<double> distances(numSeqs * numSeqs);
+ getDistanceData(distFileName, distances);
+
+ string listFileName = argv[3];
+ vector<int> otuData(numSeqs);
+ vector<int> otuFreq;
+ vector<vector<int> > otuBySeqLookUp;
+
+ getListData(listFileName, cutOff, otuData, otuFreq, otuBySeqLookUp);
+
+ int numOTUs = otuFreq.size();
+
+ vector<double> weights(numOTUs, 0);
+ vector<int> change(numOTUs, 1);
+ vector<int> centroids(numOTUs, -1);
+ vector<int> cumCount(numOTUs, 0);
+
+ vector<double> tau(numSeqs, 1);
+ vector<int> anP(numSeqs, 0);
+ vector<int> anI(numSeqs, 0);
+ vector<int> anN(numSeqs, 0);
+ vector<vector<int> > aanI = otuBySeqLookUp;
+
+ int numIters = 0;
+ double maxDelta = 1e6;
+
+ while(numIters < minIter || ((maxDelta > minDelta) && (numIters < maxIter))){
+
+ updateOTUCountData(otuFreq, otuBySeqLookUp, aanI, anP, anI, cumCount);
+ maxDelta = calcNewWeights(weights, seqFreq, anI, cumCount, anP, otuFreq, tau);
+
+ calcCentroids(anI, anP, change, centroids, cumCount, distances, seqFreq, otuFreq, tau);
+ checkCentroids(weights, centroids);
+
+ otuFreq.assign(numOTUs, 0);
+
+ int total = 0;
+
+ for(int i=0;i<numSeqs;i++){
+ double offset = 1e6;
+ double norm = 0.0000;
+ double minWeight = MIN_WEIGHT;
+ vector<double> currentTau(numOTUs);
+
+ for(int j=0;j<numOTUs;j++){
+ if(weights[j] > minWeight && distances[i * numSeqs+centroids[j]] < offset){
+ offset = distances[i * numSeqs+centroids[j]];
+ }
+ }
+
+ for(int j=0;j<numOTUs;j++){
+ if(weights[j] > minWeight){
+ currentTau[j] = exp(sigma * (-distances[(i * numSeqs + centroids[j])] + offset)) * weights[j];
+ norm += currentTau[j];
+ }
+ else{
+ currentTau[j] = 0.0000;
+ }
+ }
+
+ for(int j=0;j<numOTUs;j++){
+ currentTau[j] /= norm;
+ }
+
+ for(int j=0;j<numOTUs;j++){
+
+ if(currentTau[j] > MIN_TAU){
+ int oldTotal = total;
+ total++;
+
+ tau.resize(oldTotal+1);
+ tau[oldTotal] = currentTau[j];
+ otuBySeqLookUp[j][otuFreq[j]] = oldTotal;
+ aanI[j][otuFreq[j]] = i;
+ otuFreq[j]++;
+
+ }
+ }
+
+ anP.resize(total);
+ anI.resize(total);
+ }
+
+ numIters++;
+ }
+
+ updateOTUCountData(otuFreq, otuBySeqLookUp, aanI, anP, anI, cumCount);
+
+ vector<double> percentage(numSeqs);
+ setUpOTUData(otuData, percentage, cumCount, tau, otuFreq, anP, anI);
+ finishOTUData(otuData, otuFreq, anP, anI, cumCount, otuBySeqLookUp, aanI, tau);
+
+ change.assign(numOTUs, 1);
+ calcCentroids(anI, anP, change, centroids, cumCount, distances, seqFreq, otuFreq, tau);
+
+
+ vector<int> finalTau(numOTUs, 0);
+ for(int i=0;i<numSeqs;i++){
+ finalTau[otuData[i]] += int(seqFreq[i]);
+ }
+
+ writeOutput(fileNameStub, finalTau, centroids, otuData, sequences, uniqueNames, redundantNames, seqFreq, distances);
+
+ return 0;
+}
+
+/**************************************************************************************************/