void LogWrapper::show_it(std::ostream &out) const {
IMP_CHECK_OBJECT(this);
for (RestraintConstIterator it = restraints_begin(); it != restraints_end();
++it) {
(*it)->show(out);
}
out << "... end LogWrapper " << get_name() << std::endl;
}
void Model::clear_all_statistics() {
for (ScoreStateConstIterator it= score_states_begin();
it != score_states_end(); ++it) {
stats_data_.erase(*it);
}
RestraintsTemp r= IMP::kernel::get_restraints(restraints_begin(),
restraints_end());
for (RestraintsTemp::const_iterator it= r.begin();
it != r.end(); ++it) {
stats_data_.erase(*it);
}
}
void Model::show_restraint_time_statistics(std::ostream &out) const {
out << "Restraints: running_time [min_value max_value] "
<< "average_value last_value\n";
RestraintsTemp r= IMP::kernel::get_restraints(restraints_begin(),
restraints_end());
for (RestraintsTemp::const_iterator it= r.begin();
it != r.end(); ++it) {
if (stats_data_.find(*it) != stats_data_.end()) {
out << " " << (*it)->get_name() << ": ";
out << stats_data_[*it].total_time_/ stats_data_[*it].calls_
<< "s\n";
} else {
out << " " << (*it)->get_name() << ":\n";
}
}
}
double MinimumRestraint::unprotected_evaluate(DerivativeAccumulator *da) const {
algebra::internal::MinimalSet<double, Restraint *> ms(k_);
for (RestraintConstIterator it = restraints_begin(); it != restraints_end();
++it) {
ms.insert((*it)->unprotected_evaluate(nullptr), *it);
}
if (!da) {
double sum = 0;
for (unsigned int i = 0; i < ms.size(); ++i) {
sum += ms[i].first;
}
return sum;
} else {
double sum = 0;
for (unsigned int i = 0; i < ms.size(); ++i) {
sum += ms[i].second->unprotected_evaluate(da);
}
return sum;
}
}
void Model::show_restraint_score_statistics(std::ostream &out) const {
boost::format format("%1%: [%15t%2% %30t%3%] %45t%4% %60t%5% %70t%6%\n");
out << format
% "Restraints" % "min_value" % "max_value" % "average_value"
%"limit" % "last_value";
RestraintsTemp r= IMP::kernel::get_restraints(restraints_begin(),
restraints_end());
for (RestraintsTemp::const_iterator it= r.begin();
it != r.end(); ++it) {
if (stats_data_.find(*it) != stats_data_.end()) {
out << format % (std::string(" ")+ (*it)->get_name())
% stats_data_[*it].min_value_
% stats_data_[*it].max_value_
% (stats_data_[*it].total_value_/ stats_data_[*it].calls_)
% (*it)->get_maximum_score()
% stats_data_[*it].last_value_;
} else {
out << " " << (*it)->get_name() << ":\n";
}
}
}
ModelObjectsTemp LogWrapper::do_get_inputs() const {
return ModelObjectsTemp(restraints_begin(), restraints_end());
}