#include "simulateCodonsJumps.h" #include "talRandom.h" #include "someUtil.h" #include simulateCodonsJumps::simulateCodonsJumps(const tree& inTree, const stochasticProcess& sp, const int alphabetSize) : simulateJumpsAbstract(inTree,sp,alphabetSize) { } simulateCodonsJumps::~simulateCodonsJumps() { } void simulateCodonsJumps::init() { //init the vector of waiting times. _waitingTimeParams.clear(); _waitingTimeParams.resize(_alphabetSize); int i, j; for (i = 0; i < _alphabetSize; ++i) { _waitingTimeParams[i] = -_sp.dPij_dt(i, i, 0.0); } //init _jumpProbs. _jumpProbs.clear(); _jumpProbs.resize(_alphabetSize); for (i = 0; i < _alphabetSize; ++i) { MDOUBLE sum = 0.0; _jumpProbs[i].resize(_alphabetSize); for (j = 0; j < _alphabetSize; ++j) { if (i == j) _jumpProbs[i][j] = 0.0; else { _jumpProbs[i][j] = _sp.dPij_dt(i, j, 0.0) / _waitingTimeParams[i]; } sum += _jumpProbs[i][j]; } if (! DEQUAL(sum, 1.0,0.001)){ string err = "error in simulateCodonsJumps::init(): sum probabilities is not 1 and equal to "; err+=double2string(sum); errorMsg::reportError(err); } } //init _orderNodesVec: a vector in which the branch lengths are ordered in ascending order _tree.getAllNodes(_orderNodesVec, _tree.getRoot()); sort(_orderNodesVec.begin(), _orderNodesVec.end(), simulateJumpsAbstract::compareDist); _nodes2JumpsExp.clear(); _nodes2JumpsProb.clear(); // vector > zeroCombinedStates2jumps; for(i = 0;i < getCombinedAlphabetSize();++i){ pair syn_and_nonSyn_jumps(0.0,0.0); zeroCombinedStates2jumps.push_back(syn_and_nonSyn_jumps); } Vdouble zeroVector(getCombinedAlphabetSize(),0.0); for (i = 0; i < _orderNodesVec.size(); ++i) { string nodeName = _orderNodesVec[i]->name(); _nodes2JumpsExp[nodeName] = zeroCombinedStates2jumps; _nodes2JumpsProb[nodeName] = zeroCombinedStates2jumps; for (j=0; jdis2father(); MDOUBLE totalTimeTillJump = 0.0; int curState = startState; int smallestBranchNotUpdatedSofar = 0; vector > jumpsSoFar(0); while (totalTimeTillJump < maxTime) { MDOUBLE avgWaitingTime = 1 / _waitingTimeParams[curState]; MDOUBLE nextJumpTime = totalTimeTillJump + talRandom::rand_exp(avgWaitingTime); //go over all branches that "finished" their simulation (shorter than nextJumpTime) and update with their _nodes2JumpsExp //with the jumps that occured between the terminal Ids: startState-->curState for (int b = smallestBranchNotUpdatedSofar; b < _orderNodesVec.size(); ++b) { if (_orderNodesVec[b]->dis2father() > nextJumpTime) { smallestBranchNotUpdatedSofar = b; break; } string nodeName = _orderNodesVec[b]->name(); //update all the jumps that occured along the branch int terminalState = getCombinedState(startState, curState); _totalTerminals[nodeName][terminalState]++; //update all longer branches with all jumps that occurred till now /* vector jumpsSoFarBool(getCombinedAlphabetSize(),false);*/ // There's no need for the jumpsSoFarBool vector because we want to count // the number of syn subs and not just to note that there has been at least 1 // The final probability is calculated in computeExpectationsAndPosterior for (int j = 0; j < jumpsSoFar.size(); ++j) { substitutionType = codonUtility::codonReplacement(jumpsSoFar[j].first,jumpsSoFar[j].second); /* int combinedJumpState = getCombinedState(jumpsSoFar[j].first, jumpsSoFar[j].second); jumpsSoFarBool[combinedJumpState]=true;*/ if(substitutionType == codonUtility::synonymous) { _nodes2JumpsExp[nodeName][terminalState].first += 1; _nodes2JumpsProb[nodeName][terminalState].first += 1; } else if(substitutionType == codonUtility::non_synonymous) { _nodes2JumpsExp[nodeName][terminalState].second += 1; _nodes2JumpsProb[nodeName][terminalState].second += 1; } } /* for (int combined=0;combined(curState, nextState)); curState = nextState; } } void simulateCodonsJumps::computeExpectationsAndPosterior(){ //scale _nodes2JumpsExp so it will represent expectations map > >::iterator iterExp = _nodes2JumpsExp.begin(); for (; iterExp != _nodes2JumpsExp.end(); ++iterExp) {//each node string nodeName = iterExp->first; for (int termState = 0; termState < getCombinedAlphabetSize(); ++termState) { MDOUBLE totalJumps4currentNodeAndTermState = 0; map::iterator iterTerm = _totalTerminals.find(nodeName); map > >::iterator iterProb = _nodes2JumpsProb.find(nodeName); if ((iterTerm==_totalTerminals.end()) || (iterProb==_nodes2JumpsProb.end())) { errorMsg::reportError("error in simulateJumps::runSimulation, unknown reason: cannot find nodeName in map"); } if (iterTerm->second[termState]==0){ //never reached these terminal states if((iterExp->second[termState].first == 0)&&(iterExp->second[termState].second == 0)&& ((iterProb->second[termState].first == 0)&&(iterProb->second[termState].second == 0))) { int startID = getStartId(termState); int endID = getEndId(termState); if (startID != endID) // if the terminal states are different there was at least one startID->endID jump { codonUtility::replacementType substitutionType = codonUtility::codonReplacement(startID,endID); if(substitutionType == codonUtility::synonymous) { iterExp->second[termState].first = 1; iterProb->second[termState].first = 1; } else if(substitutionType == codonUtility::non_synonymous) { iterExp->second[termState].second = 1; iterProb->second[termState].second = 1; } totalJumps4currentNodeAndTermState = ((iterProb->second[termState].first) + (iterProb->second[termState].second)); if(totalJumps4currentNodeAndTermState) { (iterProb->second[termState].first) /= totalJumps4currentNodeAndTermState; (iterProb->second[termState].second) /= totalJumps4currentNodeAndTermState; } } continue; } else errorMsg::reportError("error in simulateCodonJumps::runSimulation, 0 times reached termState but non-zero for jumpCount"); } (iterExp->second[termState].first) /= iterTerm->second[termState]; (iterExp->second[termState].second) /= iterTerm->second[termState]; totalJumps4currentNodeAndTermState = ((iterProb->second[termState].first) + (iterProb->second[termState].second)); if(totalJumps4currentNodeAndTermState) { (iterProb->second[termState].first) /= totalJumps4currentNodeAndTermState; (iterProb->second[termState].second) /= totalJumps4currentNodeAndTermState; } } } } MDOUBLE simulateCodonsJumps::getExpectation(const string& nodeName, int terminalStart, int terminalEnd, int fromId, int toId) { //map ::iterator pos;//Old map > >::iterator pos; if ((pos = _nodes2JumpsExp.find(nodeName)) == _nodes2JumpsExp.end()) { string err="error in simulateCodonJumps::getExpectation: cannot find node "+nodeName; errorMsg::reportError(err); } int combinedTerminalState = getCombinedState(terminalStart, terminalEnd); //Old //int combinedJumpState = getCombinedState(fromId, toId); //return (pos->second[combinedTerminalState][combinedJumpState]); MDOUBLE expectation=0.0; if(codonUtility::codonReplacement(fromId,toId) == 1) expectation = pos->second[combinedTerminalState].first; else if(codonUtility::codonReplacement(fromId,toId) == 2) expectation = pos->second[combinedTerminalState].second; return (expectation); } MDOUBLE simulateCodonsJumps::getExpectation( const string& nodeName, int terminalStart, int terminalEnd, codonUtility::replacementType substitutionType) { map > >::iterator pos; if ((pos = _nodes2JumpsExp.find(nodeName)) == _nodes2JumpsExp.end()) { string err="error in simulateCodonJumps::getExpectation: cannot find node "+nodeName; errorMsg::reportError(err); } int combinedTerminalState = getCombinedState(terminalStart, terminalEnd); MDOUBLE expectation=0.0; if(substitutionType == codonUtility::synonymous) expectation = pos->second[combinedTerminalState].first; else if(substitutionType == codonUtility::non_synonymous) expectation = pos->second[combinedTerminalState].second; return (expectation); } MDOUBLE simulateCodonsJumps::getProb(const string& nodeName, int terminalStart, int terminalEnd, int fromId, int toId){ //map ::iterator pos; map > >::iterator pos; if ((pos = _nodes2JumpsProb.find(nodeName)) == _nodes2JumpsProb.end()) { string err="error in simulateCodonJumps::getProb: cannot find node "+nodeName; errorMsg::reportError(err); } int combinedTerminalState = getCombinedState(terminalStart, terminalEnd); //Old //int combinedJumpState = getCombinedState(fromId, toId); //return (pos->second[combinedTerminalState][combinedJumpState]); MDOUBLE prob=0.0; if(codonUtility::codonReplacement(fromId,toId) == 1) prob = pos->second[combinedTerminalState].first; else if(codonUtility::codonReplacement(fromId,toId) == 2) prob = pos->second[combinedTerminalState].second; return (prob); } MDOUBLE simulateCodonsJumps::getProb( const string& nodeName, int terminalStart, int terminalEnd, codonUtility::replacementType substitutionType) { map > >::iterator pos; if ((pos = _nodes2JumpsProb.find(nodeName)) == _nodes2JumpsProb.end()) { string err="error in simulateCodonJumps::getProb: cannot find node "+nodeName; errorMsg::reportError(err); } int combinedTerminalState = getCombinedState(terminalStart, terminalEnd); MDOUBLE prob=0.0; if(substitutionType == codonUtility::synonymous) prob = pos->second[combinedTerminalState].first; else if(substitutionType == codonUtility::non_synonymous) prob = pos->second[combinedTerminalState].second; return (prob); }