// shift particle numbers by offset
for (auto& localBlock : inBlock)
{
- std::transform(std::begin(localBlock.atomNumber), std::end(localBlock.atomNumber),
- std::begin(localBlock.atomNumber), [offset](auto i) { return i + offset; });
+ std::transform(std::begin(localBlock.atomNumber),
+ std::end(localBlock.atomNumber),
+ std::begin(localBlock.atomNumber),
+ [offset](auto i) { return i + offset; });
}
return inBlock;
// TODO: use string format function once we have it
if (moleculeName.value() == residueName.value())
{
- printf("No particle %s in residue %s in molecule %s found\n", particleName.value().c_str(),
- residueName.value().c_str(), moleculeName.value().c_str());
+ printf("No particle %s in residue %s in molecule %s found\n",
+ particleName.value().c_str(),
+ residueName.value().c_str(),
+ moleculeName.value().c_str());
}
else
{
- printf("No particle %s in molecule %s found\n", particleName.value().c_str(),
+ printf("No particle %s in molecule %s found\n",
+ particleName.value().c_str(),
moleculeName.value().c_str());
}
{
// return std::make_tuple(f(args..., std::get<2 * Is + 1>(tuple), std::get<2 * Is>(tuple))...);
ignore_unused(is);
- return std::array<int, sizeof...(Is)>{ f(args..., std::get<2 * Is + 1>(tuple),
- std::get<2 * Is>(tuple))... };
+ return std::array<int, sizeof...(Is)>{ f(
+ args..., std::get<2 * Is + 1>(tuple), std::get<2 * Is>(tuple))... };
}
/*! \brief
{
std::vector<CoordinateIndex<B>> coordinateIndices;
- auto callSequencer = [&particleSequencer](const MoleculeName& moleculeName, int i,
+ auto callSequencer = [&particleSequencer](const MoleculeName& moleculeName,
+ int i,
const ResidueName& residueName,
const ParticleName& particleName) {
return particleSequencer(moleculeName, i, residueName, particleName);
std::vector<std::tuple<I, size_t>> enumeratedBonds(aggregatedInteractions.size());
// append each interaction with its index
- std::transform(begin(aggregatedInteractions), end(aggregatedInteractions), begin(uniqueIndices),
- begin(enumeratedBonds), [](I b, size_t i) { return std::make_tuple(b, i); });
+ std::transform(begin(aggregatedInteractions),
+ end(aggregatedInteractions),
+ begin(uniqueIndices),
+ begin(enumeratedBonds),
+ [](I b, size_t i) { return std::make_tuple(b, i); });
auto sortKey = [](const auto& t1, const auto& t2) { return std::get<0>(t1) < std::get<0>(t2); };
// sort w.r.t bonds. the result will contain contiguous segments of identical bond instances