namespace gmx
{
-EnergyFrame::EnergyFrame(const t_enxframe &enxframe,
- const std::map<std::string, int> &indicesOfEnergyFields)
- : step_(enxframe.step), time_(enxframe.t)
+EnergyFrame::EnergyFrame(const t_enxframe& enxframe, const std::map<std::string, int>& indicesOfEnergyFields) :
+ step_(enxframe.step),
+ time_(enxframe.t)
{
- for (auto &index : indicesOfEnergyFields)
+ for (auto& index : indicesOfEnergyFields)
{
if (index.second >= enxframe.nre)
{
- GMX_THROW(InternalError(formatString("Index %d for energy %s not present in energy frame with %d energies",
- index.second, index.first.c_str(), enxframe.nre)));
+ GMX_THROW(InternalError(formatString(
+ "Index %d for energy %s not present in energy frame with %d energies",
+ index.second, index.first.c_str(), enxframe.nre)));
}
values_[index.first] = enxframe.ener[index.second].e;
}
return formatString("Time %f Step %" PRId64, time_, step_);
}
-const real &EnergyFrame::at(const std::string &name) const
+const real& EnergyFrame::at(const std::string& name) const
{
auto valueIterator = values_.find(name);
if (valueIterator == values_.end())
{
- GMX_THROW(APIError("Cannot get energy value " + name + " unless previously registered when constructing EnergyFrameReader"));
+ GMX_THROW(APIError("Cannot get energy value " + name
+ + " unless previously registered when constructing EnergyFrameReader"));
}
return valueIterator->second;
}
return values_.end();
}
-EnergyFrame::MapConstIterator EnergyFrame::find(const std::string &key) const
+EnergyFrame::MapConstIterator EnergyFrame::find(const std::string& key) const
{
return values_.find(key);
}
-} // namespace gmx
+} // namespace gmx