EukPhylo/PTL2/Scripts-GRID/guidance.v2.02/libs/phylogeny/simulateRateShiftJumps.cpp
Katzlab dd76ab1d12 Added PTL2 Scripts
These are PTL2 files from Auden 2/9
2023-02-14 11:20:52 -05:00

343 lines
14 KiB
C++

#include "simulateRateShiftJumps.h"
#include "talRandom.h"
#include "someUtil.h"
#include "replacementModelSSRV.h"
#include "generalGammaDistribution.h"
#include <algorithm>
//TO DO:
//1. input: a specific node vector and not a tree
//2. all instances of syn are converted to acc
//3. function of mulAlphabet: compareCategories, static function which also receives alphabetSize
simulateRateShiftJumps::simulateRateShiftJumps(const tree& inTree, const stochasticProcess& sp, const int alphabetSize)
: simulateJumpsAbstract(inTree,sp,alphabetSize)
{
// note: ontainging the number of rate categories, probably an easier way to do this:
replacementModelSSRV* pMulRM = static_cast<replacementModelSSRV*>(sp.getPijAccelerator()->getReplacementModel());
generalGammaDistribution* generalGammaDist = static_cast<generalGammaDistribution*>(pMulRM->getDistribution());
_numRateCategories = generalGammaDist->categories();
if (alphabetSize % _numRateCategories != 0) {
errorMsg::reportError("error in simulateRateShiftJumps::simulateRateShiftJumps, alphabetSize must divide by number of rate categories");
}
_baseAlphabetSize = alphabetSize / _numRateCategories;
}
simulateRateShiftJumps::~simulateRateShiftJumps()
{
}
//runSimulation: do the actual simulation. iterNum specifies the number of iterations starting from each state
void simulateRateShiftJumps::runSimulation(int iterNum, vector <tree::nodeP> inputNodes)
{
init(inputNodes);
for (int state = 0; state < _alphabetSize; ++state)
{
for (int iter = 0; iter < iterNum; ++iter)
{
runOneIter(state);
}
}
computeExpectationsAndPosterior();
}
void simulateRateShiftJumps::init()
{
_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 simulateRateShiftJumps::init(): sum probabilities is not 1 and equal to ";
err+=double2string(sum);
errorMsg::reportError(err);
}
}
}
void simulateRateShiftJumps::init(vector <tree::nodeP> inputNodes)
{
init();
//init the vector of waiting times.
//init _orderNodesVec: a vector in which the branch lengths are ordered in ascending order
//_tree.getAllNodes(_orderNodesVec, _tree.getRoot()); // here instead: _orderNodesVec = input nodesVec, and then sort
_orderNodesVec = inputNodes;
sort(_orderNodesVec.begin(), _orderNodesVec.end(), simulateJumpsAbstract::compareDist);
_nodes2JumpsExp.clear();
_nodes2JumpsProb.clear();
//
vector<pair<MDOUBLE,MDOUBLE> > zeroCombinedStates2jumps;
int i,j;
for(i = 0;i < getCombinedAlphabetSize();++i){
pair<MDOUBLE,MDOUBLE> acc_and_decc_jumps(0.0,0.0);
zeroCombinedStates2jumps.push_back(acc_and_decc_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; j<getCombinedAlphabetSize();++j)
_totalTerminals[nodeName]=zeroVector;
}
}
//simulate jumps starting from startState. The simulation continue until the maxTime is reached. In each step:
//1. Draw a new waiting time.
//2. Go over all branches shorter than nextJumpTime and update their jumpsNum between the states that were switched
// (these branches will not be affected by the current jump):
// however they might have been affected by the previous jump
//3. Draw a new state
void simulateRateShiftJumps::runOneIter(int startState)
{
mulAlphabet::rateShiftType my_rateShiftType = mulAlphabet::noRateShift;
MDOUBLE maxTime = _orderNodesVec[_orderNodesVec.size()-1]->dis2father();
MDOUBLE totalTimeTillJump = 0.0;
int curState = startState;
int smallestBranchNotUpdatedSofar = 0;
vector<pair<int, int> > 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<bool> 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)
{
my_rateShiftType = mulAlphabet::compareCategories(jumpsSoFar[j].first,jumpsSoFar[j].second,_baseAlphabetSize,_numRateCategories);
/* int combinedJumpState = getCombinedState(jumpsSoFar[j].first, jumpsSoFar[j].second);
jumpsSoFarBool[combinedJumpState]=true;*/
if(my_rateShiftType == mulAlphabet::acceleration)
{
_nodes2JumpsExp[nodeName][terminalState].first += 1;
_nodes2JumpsProb[nodeName][terminalState].first += 1;
}
else if(my_rateShiftType == mulAlphabet::deceleration)
{
_nodes2JumpsExp[nodeName][terminalState].second += 1;
_nodes2JumpsProb[nodeName][terminalState].second += 1;
//cout<<"debug: jump dec for node name "<<nodeName<<" from start "<<startState<<" to "<<curState<<endl;//debug
}
}
/*for (int combined=0;combined<jumpsSoFarBool.size();++combined)
{
if (jumpsSoFarBool[combined]){
if(my_rateShiftType == mulAlphabet::acceleration)
_nodes2JumpsProb[nodeName][terminalState].first += 1;
else if(my_rateShiftType == mulAlphabet::deceleration)
_nodes2JumpsProb[nodeName][terminalState].second += 1;
}
}*/
}
totalTimeTillJump = nextJumpTime;
int nextState = giveRandomState(_alphabetSize,curState,_jumpProbs);
jumpsSoFar.push_back(pair<int,int>(curState, nextState));
curState = nextState;
}
}
void simulateRateShiftJumps::computeExpectationsAndPosterior(){
//scale _nodes2JumpsExp so it will represent expectations
map<string, vector<pair<MDOUBLE,MDOUBLE> > >::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<string, Vdouble>::iterator iterTerm = _totalTerminals.find(nodeName);
map<string, vector<pair<MDOUBLE,MDOUBLE> > >::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
{
mulAlphabet::rateShiftType my_rateShiftType = mulAlphabet::compareCategories(startID,endID,_baseAlphabetSize,_numRateCategories);
if(my_rateShiftType == mulAlphabet::acceleration)
{
iterExp->second[termState].first = 1;
iterProb->second[termState].first = 1;
}
else if(my_rateShiftType == mulAlphabet::deceleration)
{
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 simulateRateShiftJumps::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 simulateRateShiftJumps::getExpectation(const string& nodeName, int terminalStart, int terminalEnd, int fromId, int toId)
{
//map <string, VVdouble>::iterator pos;//Old
map<string, vector<pair<MDOUBLE,MDOUBLE> > >::iterator pos;
if ((pos = _nodes2JumpsExp.find(nodeName)) == _nodes2JumpsExp.end())
{
string err="error in simulateRateShiftJumps::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;
// !!! go over this to make sure this is correct!!
if(mulAlphabet::compareCategories(fromId,toId,_baseAlphabetSize,_numRateCategories) == mulAlphabet::acceleration)
expectation = pos->second[combinedTerminalState].first;
else if(mulAlphabet::compareCategories(fromId,toId,_baseAlphabetSize,_numRateCategories) == mulAlphabet::deceleration)
expectation = pos->second[combinedTerminalState].second;
return (expectation);
}
MDOUBLE simulateRateShiftJumps::getExpectation(
const string& nodeName,
int terminalStart,
int terminalEnd,
mulAlphabet::rateShiftType my_rateShiftType)
{
map<string, vector<pair<MDOUBLE,MDOUBLE> > >::iterator pos;
if ((pos = _nodes2JumpsExp.find(nodeName)) == _nodes2JumpsExp.end())
{
string err="error in simulateRateShiftJumps::getExpectation: cannot find node "+nodeName;
errorMsg::reportError(err);
}
int combinedTerminalState = getCombinedState(terminalStart, terminalEnd);
MDOUBLE expectation=0.0;
if(my_rateShiftType == mulAlphabet::acceleration)
expectation = pos->second[combinedTerminalState].first;
else if(my_rateShiftType == mulAlphabet::deceleration)
expectation = pos->second[combinedTerminalState].second;
else
errorMsg::reportError("simulateRateShiftJumps::getExpectation does not support computations for non rate-shifts");
return (expectation);
}
MDOUBLE simulateRateShiftJumps::getProb(const string& nodeName, int terminalStart, int terminalEnd, int fromId, int toId){
//map <string, VVdouble>::iterator pos;
map<string, vector<pair<MDOUBLE,MDOUBLE> > >::iterator pos;
if ((pos = _nodes2JumpsProb.find(nodeName)) == _nodes2JumpsProb.end())
{
string err="error in simulateRateShiftJumps::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;
//!! go over this to make sure
if(mulAlphabet::compareCategories(fromId,toId,_baseAlphabetSize,_numRateCategories) == mulAlphabet::acceleration)
prob = pos->second[combinedTerminalState].first;
else if(mulAlphabet::compareCategories(fromId,toId,_baseAlphabetSize,_numRateCategories) == mulAlphabet::deceleration)
prob = pos->second[combinedTerminalState].second;
return (prob);
}
MDOUBLE simulateRateShiftJumps::getProb(
const string& nodeName,
int terminalStart,
int terminalEnd,
mulAlphabet::rateShiftType my_rateShiftType)
{
map<string, vector<pair<MDOUBLE,MDOUBLE> > >::iterator pos;
if ((pos = _nodes2JumpsProb.find(nodeName)) == _nodes2JumpsProb.end())
{
string err="error in simulateRateShiftJumps::getProb: cannot find node "+nodeName;
errorMsg::reportError(err);
}
int combinedTerminalState = getCombinedState(terminalStart, terminalEnd);
MDOUBLE prob=0.0;
if(my_rateShiftType == mulAlphabet::acceleration)
prob = pos->second[combinedTerminalState].first;
else if(my_rateShiftType == mulAlphabet::deceleration)
prob = pos->second[combinedTerminalState].second;
else
errorMsg::reportError("simulateRateShiftJumps::getProb does not support probabilities of non rate-shifts");
return (prob);
}