#include <MultistateFitnessFunction.hh>

Inheritance diagram for protocols::pack_daemon::MPIMultistateFitnessFunction:

Public Member Functions
	MPIMultistateFitnessFunction ()

	~MPIMultistateFitnessFunction () override

void	set_num_pack_daemons (core::Size n_daemons)
	Inform this MPIMultistateFitnessFunction how many PackDaemons are running on all nodes (counting this one) which it may be unaware of. More...

void	set_num_npd_properties (core::Size n_npd_properties)
	Inform this MPIMultistateFitnessFunction how many non-pairwise decomposable properties will be computed for all states. More...

void	send_spin_down_signal ()
	Spin down the other nodes. No entity evaluation may follow the spin down call. More...

Public Member Functions inherited from protocols::pack_daemon::MultistateFitnessFunction
	MultistateFitnessFunction ()

	~MultistateFitnessFunction () override

core::Real	evaluate (Entity &entity) override

StateEnergies const &	state_energies () const

StateEnergies const &	npd_properties () const

void	daemon_set (DaemonSetOP ds)

void	aggregate_function (MultistateAggregateFunctionOP func)

DaemonSetCOP	daemon_set () const

MultistateAggregateFunctionCOP	aggregate_function () const

void	set_history_size (core::Size history_size)

void	clear_history ()

std::list< std::pair < core::Size, PoseOP > >	recover_relevant_poses_for_entity (Entity const &)

Public Member Functions inherited from protocols::genetic_algorithm::FitnessFunction
	~FitnessFunction () override=default

Protected Member Functions
void	compute_state_energies (Entity const &entity) override
	Override the base class implementation by broadcasting the entity to all slave nodes, and waiting for them to report the energies from their PackDaemons for that entity. If this node has PackDaemons, then it will evaluate their energies, too. More...

void	instruct_daemons_to_keep_last_entity () override
	Broadcast the instruction to DaemonSets on all other nodes to keep the entity that was just evaluated. More...

void	instruct_daemons_to_drop_entity (Entity const &entity) override
	Broadcast the instruction to DaemonSets on all other nodes to discard an old entity which had been previously held on to. More...

std::list< std::pair < core::Size, PoseOP > >	recover_poses_from_states (Entity const &, utility::vector1< core::Size > const &which_states) override
	Broadcast the entity and the set of states that correspond to a set of poses that are important. The entity had better still live on the distant nodes. More...

Protected Member Functions inherited from protocols::pack_daemon::MultistateFitnessFunction
virtual core::Real	compute_aggregate_score (Entity const &entity)

utility::vector1< core::Real > &	state_energies ()

utility::vector1< core::Real > &	npd_properties ()

DaemonSetOP	daemon_set ()

MultistateAggregateFunctionOP	aggregate_function ()

core::Size	which_top_entity (Entity const &ent) const

void	update_entity_history (Entity const &ent)

Private Member Functions
void	broadcast_entity_string (Entity const &entity)

Private Attributes
core::Size	MPI_nprocs_

Additional Inherited Members
Public Types inherited from protocols::pack_daemon::MultistateFitnessFunction
typedef protocols::genetic_algorithm::FitnessFunction	parent

typedef protocols::genetic_algorithm::Entity	Entity

typedef protocols::genetic_algorithm::EntityOP	EntityOP

typedef utility::vector1 < core::Real >	StateEnergies

typedef std::pair < StateEnergies, StateEnergies >	StateEnergiesAndNPDs

typedef core::pose::PoseOP	PoseOP

typedef core::pose::Pose	Pose

typedef core::Real	Real

typedef core::Size	Size

typedef std::pair< EntityOP, StateEnergiesAndNPDs >	EntityAndScore

typedef utility::vector1 < EntityAndScore >	EntityHistory

Public Types inherited from protocols::genetic_algorithm::FitnessFunction
typedef utility::pointer::shared_ptr < FitnessFunction >	OP

typedef utility::pointer::shared_ptr < FitnessFunction const >	COP

Constructor & Destructor Documentation

protocols::pack_daemon::MPIMultistateFitnessFunction::MPIMultistateFitnessFunction ( )

References MPI_nprocs_.

protocols::pack_daemon::MPIMultistateFitnessFunction::~MPIMultistateFitnessFunction ( )

overridedefault

Member Function Documentation

void protocols::pack_daemon::MPIMultistateFitnessFunction::broadcast_entity_string ( Entity const & entity )

private

References MPI_nprocs_, and protocols::genetic_algorithm::Entity::write_checkpoint().

Referenced by compute_state_energies(), instruct_daemons_to_drop_entity(), and recover_poses_from_states().

void protocols::pack_daemon::MPIMultistateFitnessFunction::compute_state_energies ( Entity const & entity )

overrideprotectedvirtual

Override the base class implementation by broadcasting the entity to all slave nodes, and waiting for them to report the energies from their PackDaemons for that entity. If this node has PackDaemons, then it will evaluate their energies, too.

Reimplemented from protocols::pack_daemon::MultistateFitnessFunction.

References broadcast_entity_string(), protocols::pack_daemon::MultistateFitnessFunction::daemon_set(), core::sequence::end, protocols::pack_daemon::evaluate_entity, MPI_nprocs_, protocols::pack_daemon::MultistateFitnessFunction::npd_properties(), and protocols::pack_daemon::MultistateFitnessFunction::state_energies().

void protocols::pack_daemon::MPIMultistateFitnessFunction::instruct_daemons_to_drop_entity ( Entity const & entity )

overrideprotectedvirtual

Broadcast the instruction to DaemonSets on all other nodes to discard an old entity which had been previously held on to.

Reimplemented from protocols::pack_daemon::MultistateFitnessFunction.

References broadcast_entity_string(), protocols::pack_daemon::MultistateFitnessFunction::daemon_set(), protocols::pack_daemon::discard_old_entity, and MPI_nprocs_.

void protocols::pack_daemon::MPIMultistateFitnessFunction::instruct_daemons_to_keep_last_entity ( )

overrideprotectedvirtual

Broadcast the instruction to DaemonSets on all other nodes to keep the entity that was just evaluated.

Reimplemented from protocols::pack_daemon::MultistateFitnessFunction.

References protocols::pack_daemon::MultistateFitnessFunction::daemon_set(), protocols::pack_daemon::keep_rotamer_assignment_for_last_entity, and MPI_nprocs_.

std::list< std::pair< MultistateFitnessFunction::Size, MultistateFitnessFunction::PoseOP > > protocols::pack_daemon::MPIMultistateFitnessFunction::recover_poses_from_states	(	Entity const &	entity,
		utility::vector1< core::Size > const &	which_states
	)

overrideprotectedvirtual

Broadcast the entity and the set of states that correspond to a set of poses that are important. The entity had better still live on the distant nodes.

Reimplemented from protocols::pack_daemon::MultistateFitnessFunction.

References broadcast_entity_string(), protocols::pack_daemon::MultistateFitnessFunction::daemon_set(), protocols::pack_daemon::geneate_pose_from_old_state, MPI_nprocs_, core::import_pose::pose_from_pdbstring(), and core::id::to_string().

void protocols::pack_daemon::MPIMultistateFitnessFunction::send_spin_down_signal ( )

Spin down the other nodes. No entity evaluation may follow the spin down call.

References MPI_nprocs_, and protocols::pack_daemon::spin_down.

void protocols::pack_daemon::MPIMultistateFitnessFunction::set_num_npd_properties ( core::Size n_npd_properties )

Inform this MPIMultistateFitnessFunction how many non-pairwise decomposable properties will be computed for all states.

References protocols::pack_daemon::MultistateFitnessFunction::npd_properties().

void protocols::pack_daemon::MPIMultistateFitnessFunction::set_num_pack_daemons ( core::Size n_daemons )

Inform this MPIMultistateFitnessFunction how many PackDaemons are running on all nodes (counting this one) which it may be unaware of.

References protocols::pack_daemon::MultistateFitnessFunction::state_energies().

Member Data Documentation

core::Size protocols::pack_daemon::MPIMultistateFitnessFunction::MPI_nprocs_

private

Referenced by broadcast_entity_string(), compute_state_energies(), instruct_daemons_to_drop_entity(), instruct_daemons_to_keep_last_entity(), MPIMultistateFitnessFunction(), recover_poses_from_states(), and send_spin_down_signal().

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

src/protocols/pack_daemon/MultistateFitnessFunction.hh
src/protocols/pack_daemon/MultistateFitnessFunction.cc

Public Member Functions

Protected Member Functions

Private Member Functions

Private Attributes

Additional Inherited Members

Constructor & Destructor Documentation

Member Function Documentation

Member Data Documentation