Shared optimizer state that is invoked upon commitment of new coordinates. More...

#include <IMP/kernel/OptimizerState.h>

Inheritance diagram for IMP::kernel::OptimizerState:

Detailed Description

Shared optimizer state that is invoked upon commitment of new coordinates.

An OptimizerState update() method is called every time that an owning Optimizer commits to a new set of coordinates. The update() method, in turn, invokes do_update(), which can be overridden by inheriting classes.

Note: An OptimizerState may have periodicity by its set_period() method; An OptimizerState is added to an Optimizer object by calling Optimizer::add_optimizer_state().; Optimizer states may change the values of particle attributes. However, changes to whether an attribute is optimized or not may not be picked up by the Optimizer until the next call to optimize.; When logging is VERBOSE, state should print enough information in evaluate to reproduce the the entire flow of data in update. When logging is TERSE the restraint should print out only a constant number of lines per update call.

Definition at line 43 of file kernel/OptimizerState.h.

Public Member Functions
	OptimizerState (kernel::Model *m, std::string name)

unsigned int	get_number_of_updates () const
	Return the number of times update has been called. More...

Optimizer *	get_optimizer () const

unsigned int	get_period () const

virtual void	reset ()

virtual void	set_is_optimizing (bool)

void	set_number_of_updates (unsigned int n)
	Set the counter. More...

void	set_period (unsigned int p)

virtual void	update ()
	Called when the Optimizer accepts a new conformation. More...

void	update_always ()

Public Member Functions inherited from IMP::kernel::ModelObject
	ModelObject (kernel::Model *m, std::string name)

bool	get_has_dependencies () const
	Return whether this object has dependencies computed. More...

bool	get_has_required_score_states () const
	Return whether score states are computed. More...

ModelObjectsTemp	get_inputs () const

ModelObjectsTemps	get_interactions () const
	Get the interacting sets induced by this ModelObject. More...

Model *	get_model () const

ModelObjectsTemp	get_outputs () const

const ScoreStatesTemp &	get_required_score_states () const
	Get the score states that are ancestors of this in the dependency graph. More...

void	set_has_dependencies (bool tf)
	Either invalidate the dependencies or ensure they are correct. More...

void	set_has_required_score_states (bool tf)
	Compute the required score states. More...

Public Member Functions inherited from IMP::base::Object
virtual void	clear_caches ()

CheckLevel	get_check_level () const

LogLevel	get_log_level () const

virtual VersionInfo	get_version_info () const
	Get information about the module and version of the object. More...

void	set_check_level (CheckLevel l)

void	set_log_level (LogLevel l)
	Set the logging level used in this object. More...

void	set_was_used (bool tf) const

void	show (std::ostream &out=std::cout) const

const std::string &	get_name () const

void	set_name (std::string name)

virtual std::string	get_type_name () const

Protected Member Functions
virtual ModelObjectsTemp	do_get_inputs () const

virtual ModelObjectsTemp	do_get_outputs () const

virtual void	do_set_is_optimizing (bool)

virtual void	do_update (unsigned int)

Protected Member Functions inherited from IMP::kernel::ModelObject
virtual ModelObjectsTemps	do_get_interactions () const

virtual void	handle_set_has_required_score_states (bool)

Protected Member Functions inherited from IMP::base::Object
	Object (std::string name)
	Construct an object with the given name. More...

virtual void	do_destroy ()

Constructor & Destructor Documentation

IMP::kernel::OptimizerState::OptimizerState	(	kernel::Model *	m,
		std::string	name
	)

constructs an optimizer state whose update() method is invoked every time that a set of model coordinates is committed by an optimizer.

Parameters

m	the model to which this optimizer state is associated
name	the name of the object

Note: An optimizer state may become periodic via its set_period() method.

Member Function Documentation

virtual ModelObjectsTemp IMP::kernel::OptimizerState::do_get_inputs ( ) const

protectedvirtual

Get any Particle, Container or other ModelObjects read by this during evaluation. If you read everything in a container, you can just return that container.

Implements IMP::kernel::ModelObject.

Reimplemented in IMP::atom::WritePDBOptimizerState.

Definition at line 123 of file kernel/OptimizerState.h.

virtual ModelObjectsTemp IMP::kernel::OptimizerState::do_get_outputs ( ) const

protectedvirtual

Get any Particle, Container or other ModelObjects changed by this during evaluation. This is only useful for ScoreStates, at the moment.

Implements IMP::kernel::ModelObject.

Definition at line 126 of file kernel/OptimizerState.h.

virtual void IMP::kernel::OptimizerState::do_update ( unsigned int )

protectedvirtual

This method is called every get_period() update calls. The number of times this method has been called since the last reset or start of the optimization run is passed.

Reimplemented in IMP::atom::WritePDBOptimizerState, IMP::atom::BerendsenThermostatOptimizerState, IMP::kernel::SaveToConfigurationSetOptimizerState, IMP::rmf::SaveOptimizerState, IMP::atom::LangevinThermostatOptimizerState, IMP::atom::VelocityScalingOptimizerState, IMP::misc::DecayPairContainerOptimizerState, IMP::atom::RemoveTranslationOptimizerState, IMP::atom::RemoveRigidMotionOptimizerState, IMP::core::WriteRestraintScoresOptimizerState, and IMP::display::WriteOptimizerState.

Definition at line 119 of file kernel/OptimizerState.h.

unsigned int IMP::kernel::OptimizerState::get_number_of_updates ( ) const

Return the number of times update has been called.

Definition at line 108 of file kernel/OptimizerState.h.

unsigned int IMP::kernel::OptimizerState::get_period ( ) const

Returns: the periodicity of the optimizer (how many calls to update() are required to invoke do_update()

Definition at line 97 of file kernel/OptimizerState.h.

virtual void IMP::kernel::OptimizerState::reset ( )

virtual

Reset the phase to 0 and set the call number to 0 too.

virtual void IMP::kernel::OptimizerState::set_is_optimizing ( bool )

virtual

Called with true at the beginning of an optimizing run and with false at the end.

Note: Do not override, override do_set_is_optimizing() instead.

void IMP::kernel::OptimizerState::set_number_of_updates ( unsigned int n )

Set the counter.

Definition at line 111 of file kernel/OptimizerState.h.

void IMP::kernel::OptimizerState::set_period ( unsigned int p )

Causes update() invoke do_update() only every p calls to update() instead of the default p=1. Note that this periodicity is shared by all optimizers that own this OptimizerState object.

Parameters

p	periodicity

virtual void IMP::kernel::OptimizerState::update ( )

virtual

Called when the Optimizer accepts a new conformation.

This method is called by owning optimizers every time they commit. However, if set_period(p) was invoked, it calls do_update() only every p times it is called (by any optimizer).

Note: Overriding this method is deprecated, override do_update() instead.

Reimplemented in IMP::container::PairsOptimizerState, IMP::container::QuadsOptimizerState, IMP::container::SingletonsOptimizerState, IMP::container::TripletsOptimizerState, IMP::container::EventPairsOptimizerState, IMP::container::EventQuadsOptimizerState, IMP::container::EventSingletonsOptimizerState, and IMP::container::EventTripletsOptimizerState.

void IMP::kernel::OptimizerState::update_always ( )

Force the optimizer state to perform its action now, ignoring the phase.

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

kernel/OptimizerState.h

Detailed Description

Public Member Functions

Protected Member Functions

Constructor & Destructor Documentation

Member Function Documentation