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IMP Reference Guide
develop.63b38c487d,2024/12/21
The Integrative Modeling Platform
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ScoreStates maintain invariants in the Model. More...
#include <IMP/ScoreState.h>
Inheritance diagram for IMP::ScoreState:ScoreStates maintain invariants in the Model.
ScoreStates allow actions to be taken before and after the restraint evaluation process. Such code can be used to, for example:
ScoreStates have two methods which are called during the Model::evaluate() function
The Model uses information that the ScoreState reports about its input and output containers and particles to determine a safe order in which all the ScoreState objects registered in the model can be applied. That is, the Model will ensure that a ScoreState that has Particle A in its output list is applied before a ScoreState that has A in its input list. For ScoreState::before_evaluate(), Input and output lists are returned by the respective get_input_* and get_output_* calls. For ScoreState::after_evaluate() they are reversed (see note below).
Definition at line 56 of file ScoreState.h.
Public Member Functions | |
| ScoreState (Model *m, std::string name) | |
| void | after_evaluate (DerivativeAccumulator *accpt) |
| Do post evaluation work if needed. More... | |
| void | before_evaluate () |
| Force update of the structure. More... | |
| bool | get_can_skip () const |
| Get whether this state can be skipped if its inputs/outputs didn't move. 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 void | do_after_evaluate (DerivativeAccumulator *accpt)=0 |
| Do any necessary updates after the model score is calculated. More... | |
| virtual void | do_before_evaluate ()=0 |
| Update the state given the current state of the model. More... | |
| void | set_can_skip (bool can_skip) |
| Set whether we can skip during model evaluation if appropriate. More... | |
| Protected Member Functions inherited from IMP::ModelObject | |
| virtual ModelObjectsTemp | do_get_inputs () const =0 |
| virtual ModelObjectsTemps | do_get_interactions () const |
| virtual ModelObjectsTemp | do_get_outputs () const =0 |
| 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 () |
| void IMP::ScoreState::after_evaluate | ( | DerivativeAccumulator * | accpt | ) |
Do post evaluation work if needed.
| void IMP::ScoreState::before_evaluate | ( | ) |
Force update of the structure.
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protectedpure virtual |
Do any necessary updates after the model score is calculated.
| [in] | accpt | The object used to scale derivatives in the score calculation, or nullptr if derivatives were not requested. |
Implemented in IMP::core::LateralSurfaceConstraint, IMP::core::SurfaceGeometryConstraint, IMP::em2d::ProjectionParametersScoreState, IMP::container::DistributePairsScoreState, IMP::container::DistributeQuadsScoreState, IMP::container::DistributeSingletonsScoreState, IMP::container::DistributeTripletsScoreState, IMP::Constraint, IMP::kinematics::KinematicForestScoreState, IMP::domino::DependencyScoreState, IMP::container::PairContainerStatistics, IMP::container::QuadContainerStatistics, IMP::container::SingletonContainerStatistics, IMP::container::TripletContainerStatistics, IMP::core::NeighborsTable, IMP::core::MoveStatisticsScoreState, IMP::core::ChecksScoreState, and IMP::misc::StateAdaptor.
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protectedpure virtual |
Update the state given the current state of the model.
This is also called prior to every calculation of the model score. It should be implemented by ScoreStates in order to provide functionality.
Implemented in IMP::core::LateralSurfaceConstraint, IMP::core::SurfaceGeometryConstraint, IMP::em2d::ProjectionParametersScoreState, IMP::container::DistributePairsScoreState, IMP::container::DistributeQuadsScoreState, IMP::container::DistributeSingletonsScoreState, IMP::container::DistributeTripletsScoreState, IMP::Constraint, IMP::kinematics::KinematicForestScoreState, IMP::domino::DependencyScoreState, IMP::container::PairContainerStatistics, IMP::container::QuadContainerStatistics, IMP::container::SingletonContainerStatistics, IMP::container::TripletContainerStatistics, IMP::core::NeighborsTable, IMP::core::MoveStatisticsScoreState, IMP::core::ChecksScoreState, and IMP::misc::StateAdaptor.
| bool IMP::ScoreState::get_can_skip | ( | ) | const |
Get whether this state can be skipped if its inputs/outputs didn't move.
During Monte Carlo and other types of sampling that only move parts of the system, ScoreStates where this returns true may be skipped at model evaluation time if none of the inputs or outputs moved since the last evaluation.
Definition at line 94 of file ScoreState.h.
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protected |
Set whether we can skip during model evaluation if appropriate.
This should be set only once before the state is used (ideally in the constructor), and can be used for ScoreStates that can safely be skipped if their inputs or outputs didn't move. For example, a state that expects to log every N frames should not be skipped. By default, states are not skipped.
Definition at line 77 of file ScoreState.h.