#include <MultistateFitnessFunction.hh>

Inheritance diagram for protocols::pack_daemon::MPIMultistateFitnessFunction:

Collaboration diagram for protocols::pack_daemon::MPIMultistateFitnessFunction:

Public Member Functions
	MPIMultistateFitnessFunction ()

virtual	~MPIMultistateFitnessFunction ()

void	set_num_pack_daemons (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 (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 ()

virtual	~MultistateFitnessFunction ()

virtual core::Real	evaluate (Entity &entity)

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< Size, PoseOP > >	recover_relevant_poses_for_entity (Entity const &)

Public Member Functions inherited from protocols::genetic_algorithm::FitnessFunction
virtual	~FitnessFunction ()

Protected Member Functions
virtual void	compute_state_energies (Entity const &entity)
	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...

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

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

virtual std::list< std::pair < Size, PoseOP > >	recover_poses_from_states (Entity const &, utility::vector1< core::Size > const &which_states)
	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 ()

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
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 std::pair< EntityOP, StateEnergiesAndNPDs >	EntityAndScore

typedef utility::vector1 < EntityAndScore >	EntityHistory

typedef core::pose::PoseOP	PoseOP

typedef core::pose::Pose	Pose

typedef core::Real	Real

typedef core::Size	Size

Detailed Description

Definition at line 117 of file MultistateFitnessFunction.hh.

Constructor & Destructor Documentation

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

Definition at line 327 of file MultistateFitnessFunction.cc.

References MPI_nprocs_.

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

virtual

Definition at line 340 of file MultistateFitnessFunction.cc.

Member Function Documentation

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

private

Definition at line 538 of file MultistateFitnessFunction.cc.

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)

protectedvirtual

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.

Definition at line 393 of file MultistateFitnessFunction.cc.

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)

protectedvirtual

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.

Definition at line 488 of file MultistateFitnessFunction.cc.

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 ( )

protectedvirtual

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

Reimplemented from protocols::pack_daemon::MultistateFitnessFunction.

Definition at line 478 of file MultistateFitnessFunction.cc.

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
	)

protectedvirtual

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.

Definition at line 500 of file MultistateFitnessFunction.cc.

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

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

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

Definition at line 352 of file MultistateFitnessFunction.cc.

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

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

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

Definition at line 347 of file MultistateFitnessFunction.cc.

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

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

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

Definition at line 342 of file MultistateFitnessFunction.cc.

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

Member Data Documentation

Size protocols::pack_daemon::MPIMultistateFitnessFunction::MPI_nprocs_

private

Definition at line 172 of file MultistateFitnessFunction.hh.

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

Detailed Description

Constructor & Destructor Documentation

Member Function Documentation

Member Data Documentation