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36 * \brief Declares the topology class for the modular simulator
38 * \author Pascal Merz <pascal.merz@me.com>
39 * \ingroup module_modularsimulator
41 * This header is only used within the modular simulator module
45 #ifndef GMX_MODULARSIMULATOR_TOPOLOGYHOLDER_H
46 #define GMX_MODULARSIMULATOR_TOPOLOGYHOLDER_H
50 #include "gromacs/compat/pointers.h"
52 #include "modularsimulatorinterfaces.h"
54 struct gmx_localtop_t;
64 class VirtualSitesHandler;
67 * \ingroup module_modularsimulator
68 * \brief Object holding the topology
70 * Clients can register to get an updated local topology whenever there
71 * is a change (infrequent, only due to domdec currently).
73 class TopologyHolder final : public IDomDecHelperClient
77 TopologyHolder(std::vector<ITopologyHolderClient*> clients,
78 const gmx_mtop_t& globalTopology,
79 gmx_localtop_t* localTopology,
81 const t_inputrec* inputrec,
85 VirtualSitesHandler* vsite);
87 //! Get global topology
88 const gmx_mtop_t& globalTopology() const;
90 //! Callback on domain decomposition repartitioning
91 DomDecCallback registerDomDecCallback() override;
93 //! Allow domdec to access local topology directly
94 friend class DomDecHelper;
100 //! Constant reference to the global topology
101 const gmx_mtop_t& globalTopology_;
102 //! Pointer to the currently valid local topology
103 gmx_localtop_t* localTopology_;
105 //! List of clients to be updated if local topology changes
106 std::vector<ITopologyHolderClient*> clients_;
108 //! Update local topology
109 void updateLocalTopology();
113 * \ingroup module_modularsimulator
114 * \brief Builder for the topology holder
116 class TopologyHolder::Builder
119 //! Register topology client
120 void registerClient(ITopologyHolderClient* client);
122 //! Build TopologyHolder
123 template<typename... Args>
124 std::unique_ptr<TopologyHolder> build(Args&&... args);
127 //! List of clients to be updated if local topology changes
128 std::vector<ITopologyHolderClient*> clients_;
129 //! The state of the builder
130 ModularSimulatorBuilderState state_ = ModularSimulatorBuilderState::AcceptingClientRegistrations;
133 template<typename... Args>
134 std::unique_ptr<TopologyHolder> TopologyHolder::Builder::build(Args&&... args)
136 state_ = ModularSimulatorBuilderState::NotAcceptingClientRegistrations;
137 return std::make_unique<TopologyHolder>(std::move(clients_), std::forward<Args>(args)...);
142 #endif // GMX_MODULARSIMULATOR_TOPOLOGYHOLDER_H