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IMP Reference Guide  develop.79b55d17a3,2021/04/16
The Integrative Modeling Platform
IMP::ScoreState Class Referenceabstract

ScoreStates maintain invariants in the Model. More...

#include <IMP/ScoreState.h>

+ Inheritance diagram for IMP::ScoreState:

Detailed Description

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:

  • log the optimization process
  • maintain constraints (see Constraint)

ScoreStates have two methods which are called during the Model::evaluate() function

  • before_evaluate() which is allowed to change the contents of containers and the value of attributes of particles and
  • after_evaluate() which can change particle derivatives

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).

The input and output sets for the ScoreState::after_evaluate() functions are assumed to be the reverse of the ScoreState::before_evaluate() functions. As a result, the ScoreStates are applied in opposite order after evaluate. If you have a ScoreState for which this is not true, consider splitting it into two parts.
See Also

Definition at line 54 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...
- 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 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...
- 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 ()

Member Function Documentation

void IMP::ScoreState::after_evaluate ( DerivativeAccumulator accpt)

Do post evaluation work if needed.

void IMP::ScoreState::before_evaluate ( )

Force update of the structure.

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