IMP::ScoreState Class Reference

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Detailed Description

ScoreStates maintian 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).

Note:

If no acceptable order exists, an exception will be thrown and the set of ScoreState objects creating the loop will be reported.

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.

Implementors

Developers who wish to implement a ScoreState should inherit from this class and use the IMP_SCORE_STATE() macro to help define the needed functions. Lamentably, we do not provide an example.

Inheritance diagram for IMP::ScoreState:

List of all members.

Public Member Functions
	ScoreState (Model *m, std::string name="ScoreState %1%")
void	after_evaluate (DerivativeAccumulator *accpt)
void	before_evaluate ()
Public Member Functions inherited from IMP::ModelObject
	ModelObject (Model *m, std::string name)
ModelObjectsTemp	get_inputs () const
Model *	get_model () const
ModelObjectsTemp	get_outputs () const
Public Member Functions inherited from IMP::base::Object
std::size_t	__hash__ () const
virtual std::string	get_type_name () const =0
	Return a string identifying the type of the object.
virtual IMP::base::VersionInfo	get_version_info () const =0
	Get information about the module and version of the object.
void	set_check_level (CheckLevel l)
void	set_log_level (LogLevel l)
	Set the logging level used in this object.
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)

Interactions
Certain sorts of operations, such as evaluation of restraints in isolation, benefit from being able to determine which containers and particles are needed by which restraints. Input and output particles are ones whose attributes are read.
virtual ContainersTemp	get_input_containers () const =0
virtual ContainersTemp	get_output_containers () const =0
virtual ParticlesTemp	get_input_particles () const =0
virtual ParticlesTemp	get_output_particles () const =0

Protected Member Functions
virtual void	do_after_evaluate (DerivativeAccumulator *accpt)=0
virtual void	do_before_evaluate ()=0
Protected Member Functions inherited from IMP::ModelObject
virtual ModelObjectsTemp	do_get_inputs () const =0
virtual ModelObjectsTemp	do_get_outputs () const =0
virtual void	do_update_dependencies (const DependencyGraph &, const DependencyGraphVertexIndex &)
void	update_dependencies (const DependencyGraph &dg, const DependencyGraphVertexIndex &index)
Protected Member Functions inherited from IMP::base::Object
	Object (std::string name)

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

• ScoreState.h