Gromacs
2024.4
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Implementation class for restraint manager.
Public Member Functions | |
void | add (std::shared_ptr<::gmx::IRestraintPotential > restraint, const std::string &name) |
Implement Manager::addToSpec() More... | |
void | clear () noexcept |
Clear registered restraints and reset the manager. | |
Public Attributes | |
std::vector< std::shared_ptr <::gmx::IRestraintPotential > > | restraint_ |
The list of configured restraints. More... | |
void gmx::RestraintManager::Impl::add | ( | std::shared_ptr<::gmx::IRestraintPotential > | restraint, |
const std::string & | name | ||
) |
Implement Manager::addToSpec()
restraint | Handle to be added to the manager. |
name | Identifying string for restraint. |
std::vector<std::shared_ptr<::gmx::IRestraintPotential> > gmx::RestraintManager::Impl::restraint_ |
The list of configured restraints.
Clients can extend the life of a restraint implementation object that is being used by holding the shared_ptr handle. A RestraintManager::Impl is logically const when its owning Manager is logically const, but the Manager can still grant access to individual restraints.