void EnsembleGenerator::generate(unsigned int multi_state_model_size) {
init();
if(ensembles_.size() < multi_state_model_size) {
std::cerr << "Only MultiStateModels up to " << multi_state_model_size
<< " states are supported" << std::endl;
return;
}
for(unsigned int i=1; i<multi_state_model_size; i++) {
if(ensembles_[i-1].size() > 0) {
add_one_state(ensembles_[i-1], ensembles_[i]);
Ensemble rescored_ensemble;
Vector<Vector<saxs::WeightedFitParameters> > rescored_fps;
rescore(ensembles_[i], rescored_ensemble, rescored_fps);
std::cout << "initial size " << ensembles_[i].size() << " after rescoring "
<< rescored_ensemble.size() << std::endl;
output(rescored_ensemble, rescored_fps);
if(rescored_ensemble.size() > 0) {
for(unsigned int j = 0; j < scorers_.size(); j++) {
SAXSMultiStateModelScore<saxs::ChiScore> *s =
dynamic_cast<SAXSMultiStateModelScore<saxs::ChiScore>*>(scorers_[j]);
if(s != NULL) s->set_average_c1_c2(rescored_fps[j]);
}
}
}
}
}
void EnsembleGenerator::init() {
// reserve space
ensembles_.insert(ensembles_.begin(), 100, Ensemble());
ensembles_[0].reserve(N_);
// generate & score N MultiStateModels of size 1 (=SingleStateModels)
for(unsigned int i=0; i<N_; i++) {
MultiStateModel m(1);
m.add_state(i);
//m.set_score(get_score(e));
double min_score = std::numeric_limits<double>::max();
for (unsigned int j=0; j<scorers_.size(); j++) {
double score = scorers_[j]->get_score(m);
if(score < min_score) min_score = score;
}
m.set_score(min_score);
ensembles_[0].push_back(m);
}
std::sort(ensembles_[0].begin(), ensembles_[0].end(), CompareMultiStateModels());
// erase low scoring MultiStateModels
if(ensembles_[0].size() > K_) {
ensembles_[0].erase(ensembles_[0].begin()+K_, ensembles_[0].end());
std::cout << "Number of MultiStateModels of size 1: " << ensembles_[0].size() << std::endl;
}
Ensemble rescored_ensemble;
Vector<Vector<saxs::WeightedFitParameters> > rescored_fps;
rescore(ensembles_[0], rescored_ensemble, rescored_fps);
output(rescored_ensemble, rescored_fps);
}
/*! update options when dialog accepted
*/
void ContestOptionsDialog::updateOptions()
{
// need to rescore log if dupe mode, multimode, or mults view change
settings->setValue(c_masterfile,MasterLineEdit->text());
bool oldMultiMode=settings->value(c_multimode,c_multimode_def).toBool();
bool newMultiMode=MultiModeCheckBox->isChecked();
settings->setValue(c_multimode,newMultiMode);
if (oldMultiMode!=newMultiMode) emit(multiModeChanged());
settings->setValue(c_mastermode,MasterCheckBox->isChecked());
settings->setValue(c_sprintmode,SprintCheckBox->isChecked());
settings->setValue(c_showmode,ShowModeCheckBox->isChecked());
int oldDupeMode=settings->value(c_dupemode,c_dupemode_def).toInt();
int newDupeMode=dupesComboBox->currentIndex();
settings->setValue(c_dupemode,newDupeMode);
bool oldShowMults=settings->value(c_showmults,c_showmults_def).toBool();
bool newShowMults=ShowMultsCheckBox->isChecked();
settings->setValue(c_showmults,newShowMults);
bool oldMultsBand=settings->value(c_multsband,c_multsband_def).toBool();
bool newMultsBand=MultsByBandCheckBox->isChecked();
settings->setValue(c_multsband,newMultsBand);
if ((newDupeMode!=oldDupeMode && (oldDupeMode==NO_DUPE_CHECKING || newDupeMode==NO_DUPE_CHECKING))
|| oldShowMults!=newShowMults || oldMultiMode!=newMultiMode
|| oldMultsBand!=newMultsBand) emit(rescore());
settings->setValue(c_sentexch1,lineEditExch1->text());
settings->setValue(c_sentexch2,lineEditExch2->text());
settings->setValue(c_sentexch3,lineEditExch3->text());
settings->setValue(c_sentexch4,lineEditExch4->text());
// off time calculation
bool oldOffTimeEnabled=settings->value(c_off_time_enable,c_off_time_enable_def).toBool();
bool newOffTimeEnabled=OffTimeCheckBox->isChecked();
settings->setValue(c_off_time_enable,newOffTimeEnabled);
int oldMin=settings->value(c_off_time_min,c_off_time_min_def).toInt();
int newMin=offMinimumLineEdit->text().toInt();
settings->setValue(c_off_time_min,newMin);
QDateTime oldStartDate=settings->value(c_off_time_start,c_off_time_start_def).toDateTime();
QDateTime newStartDate=startDateTimeEdit->dateTime();
settings->setValue(c_off_time_start,newStartDate);
QDateTime oldEndDate=settings->value(c_off_time_end,c_off_time_end_def).toDateTime();
QDateTime newEndDate=endDateTimeEdit->dateTime();
settings->setValue(c_off_time_end,newEndDate);
if (oldOffTimeEnabled!=newOffTimeEnabled ||
oldMin!=newMin || oldStartDate!=newStartDate || oldEndDate!=newEndDate) emit(updateOffTime());
settings->sync();
}
