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).

Note: 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: Model::add_score_state().

Definition at line 53 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...

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

virtual void	do_before_evaluate ()=0

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:

ScoreState.h

Detailed Description

Public Member Functions

Protected Member Functions

Member Function Documentation