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IMP Reference Guide  develop.4390929e3e,2024/11/12
The Integrative Modeling Platform
IMP::OptimizerState Class Reference

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

#include <IMP/OptimizerState.h>

+ Inheritance diagram for IMP::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. (For example, this is typically every step during molecular dynamics, or every accepted move during Monte Carlo.) 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().
An OptimizerState 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 Optimizer::optimize().
When logging is VERBOSE, the state should print enough information in update() to reproduce the entire flow of data in update. When logging is TERSE the state should print out only a constant number of lines per update call.

Definition at line 45 of file OptimizerState.h.

Public Member Functions

 OptimizerState (Model *m, std::string name)
 Constructor. More...
 
unsigned int get_number_of_updates () const
 Return the number of times do_update() has been called. More...
 
Optimizerget_optimizer () const
 
unsigned int get_period () const
 Get the periodicity of this state. More...
 
virtual void reset ()
 Reset counters, as if at the start of an optimize run. More...
 
virtual void set_is_optimizing (bool)
 Called by an Optimizer to signal begin/end of an optimize run. More...
 
void set_number_of_updates (unsigned int n)
 Set the counter of number of times do_update() has been called. More...
 
void set_period (unsigned int p)
 Set the periodicity of this state. More...
 
virtual void update ()
 Called when the Optimizer accepts a new conformation. More...
 
void update_always ()
 Force the state to perform its action now, ignoring the periodicity. More...
 
- Public Member Functions inherited from IMP::ModelObject
 ModelObject (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...
 
Modelget_model () const
 
ModelObjectsTemp get_outputs () const
 
const ScoreStatesTempget_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::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 override
 
virtual ModelObjectsTemp do_get_outputs () const override
 
virtual void do_set_is_optimizing (bool)
 
virtual void do_update (unsigned int)
 
- Protected Member Functions inherited from IMP::ModelObject
virtual ModelObjectsTemps do_get_interactions () const
 
virtual void handle_set_has_required_score_states (bool)
 
- Protected Member Functions inherited from IMP::Object
 Object (std::string name)
 Construct an object with the given name. More...
 
virtual void do_destroy ()
 

Constructor & Destructor Documentation

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

Constructor.

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

Parameters
mthe model to which this optimizer state is associated
namethe name of the object
Note
An OptimizerState may become periodic via its set_period() method.

Member Function Documentation

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

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::ModelObject.

Reimplemented in IMP::atom::WritePDBOptimizerState.

Definition at line 137 of file OptimizerState.h.

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

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

Implements IMP::ModelObject.

Definition at line 140 of file OptimizerState.h.

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

Return the number of times do_update() has been called.

Definition at line 122 of file OptimizerState.h.

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

Get the periodicity of this state.

Returns
the periodicity of this state (how many calls to update() are required to invoke do_update())

Definition at line 113 of file OptimizerState.h.

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

Called by an Optimizer to signal begin/end of an optimize run.

At the beginning of an optimize run, set_is_optimizing(true) is called. At the end, set_is_optimizing(false) is called.

Note
Do not override; override do_set_is_optimizing() instead.
void IMP::OptimizerState::set_number_of_updates ( unsigned int  n)

Set the counter of number of times do_update() has been called.

Definition at line 125 of file OptimizerState.h.

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

Set the periodicity of this state.

This causes update() to invoke do_update() only every p calls to update() rather than on every call (p=1). Note that this periodicity is shared by all optimizers that own this OptimizerState object.

Parameters
pperiodicity
virtual void IMP::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.
void IMP::OptimizerState::update_always ( )

Force the state to perform its action now, ignoring the periodicity.


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