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List of all members | Public Member Functions
gmx::ModularSimulatorAlgorithmBuilderHelper Class Reference

#include <gromacs/modularsimulator/simulatoralgorithm.h>


Helper for element addition.

Such an object will be given to each invocation of getElementPointer

Note: It would be nicer to define this as a member type of ModularSimulatorAlgorithmBuilder, but this would break forward declaration. This object is therefore defined as friend class.

Public Member Functions

 ModularSimulatorAlgorithmBuilderHelper (ModularSimulatorAlgorithmBuilder *builder)
ISimulatorElementstoreElement (std::unique_ptr< ISimulatorElement > element)
 Store an element to the ModularSimulatorAlgorithmBuilder.
bool elementIsStored (const ISimulatorElement *element) const
 Check if an element is stored in the ModularSimulatorAlgorithmBuilder.
template<typename ValueType >
void storeValue (const std::string &key, const ValueType &value)
 Set arbitrary data in the ModularSimulatorAlgorithmBuilder. Helpful for stateful elements.
std::optional< std::any > getStoredValue (const std::string &key) const
 Get previously stored data. Returns std::nullopt if key is not found.
void registerThermostat (std::function< void(const PropagatorThermostatConnection &)> registrationFunction)
 Register a thermostat that accepts propagator registrations.
void registerBarostat (std::function< void(const PropagatorBarostatConnection &)> registrationFunction)
 Register a barostat that accepts propagator registrations.
void registerWithThermostat (PropagatorThermostatConnection connectionData)
 Register a propagator to the thermostat used.
void registerWithBarostat (PropagatorBarostatConnection connectionData)
 Register a propagator to the barostat used.

The documentation for this class was generated from the following files: