namespace gmx
{
-TopologyHolder::TopologyHolder(
- const gmx_mtop_t &globalTopology,
- const t_commrec *cr,
- const t_inputrec *inputrec,
- t_forcerec *fr,
- MDAtoms *mdAtoms,
- Constraints *constr,
- gmx_vsite_t *vsite) :
+TopologyHolder::TopologyHolder(const gmx_mtop_t& globalTopology,
+ const t_commrec* cr,
+ const t_inputrec* inputrec,
+ t_forcerec* fr,
+ MDAtoms* mdAtoms,
+ Constraints* constr,
+ gmx_vsite_t* vsite) :
globalTopology_(globalTopology),
localTopology_(std::make_unique<gmx_localtop_t>())
{
// Generate and initialize new topology
// Note that most of the data needed for the constructor is used here -
// this function should probably be simplified sooner or later.
- mdAlgorithmsSetupAtomData(
- cr, inputrec, globalTopology, localTopology_.get(),
- fr, nullptr, mdAtoms, constr, vsite, nullptr);
+ mdAlgorithmsSetupAtomData(cr, inputrec, globalTopology, localTopology_.get(), fr, nullptr,
+ mdAtoms, constr, vsite, nullptr);
}
}
-const gmx_mtop_t &TopologyHolder::globalTopology() const
+const gmx_mtop_t& TopologyHolder::globalTopology() const
{
return globalTopology_;
}
void TopologyHolder::updateLocalTopology()
{
- for (auto &client : clients_)
+ for (auto& client : clients_)
{
client->setTopology(localTopology_.get());
}
}
-void TopologyHolder::registerClient(ITopologyHolderClient *client)
+void TopologyHolder::registerClient(ITopologyHolderClient* client)
{
// Register client
clients_.emplace_back(client);
// Send copy of current topology
client->setTopology(localTopology_.get());
}
-}
+} // namespace gmx