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IMP Reference Guide
2.8.0
The Integrative Modeling Platform
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Shared optimizer state that is invoked upon commitment of new coordinates. More...
#include <IMP/OptimizerState.h>
Inheritance diagram for IMP::OptimizerState: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.
Definition at line 43 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... | |
| Optimizer * | get_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... | |
| 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::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::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 () |
| 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.
| m | the model to which this optimizer state is associated |
| name | the name of the object |
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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::ModelObject.
Reimplemented in IMP::atom::WritePDBOptimizerState.
Definition at line 124 of file OptimizerState.h.
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protectedvirtual |
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 127 of file OptimizerState.h.
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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::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 120 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 109 of file OptimizerState.h.
| unsigned int IMP::OptimizerState::get_period | ( | ) | const |
Get the periodicity of this state.
Definition at line 100 of file OptimizerState.h.
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virtual |
Reset counters, as if at the start of an optimize run.
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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.
| 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 112 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.
| p | periodicity |
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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).
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::OptimizerState::update_always | ( | ) |
Force the state to perform its action now, ignoring the periodicity.
