IMP::multifit::WeightedExcludedVolumeRestraint Class Reference

Calculate score based on fit to EM map. More...

#include <IMP/multifit/WeightedExcludedVolumeRestraint.h>

Inheritance diagram for IMP::multifit::WeightedExcludedVolumeRestraint:

Public Member Functions
	WeightedExcludedVolumeRestraint (core::RigidBodies rbs, Refiner *refiner, FloatKey weight_key=IMP::atom::Mass::get_mass_key())
	Constructor. More...
unsigned int	add_particle (kernel::Particle *obj)
void	add_particles (const kernel::Particles &objs)
void	clear_particles ()
virtual IMP::kernel::ModelObjectsTemp	do_get_inputs () const
bool	get_has_particles ()
unsigned int	get_number_of_particles () const
kernel::Particle *	get_particle (unsigned int i) const
kernel::Particles	get_particles () const
virtual std::string	get_type_name () const
virtual ::IMP::base::VersionInfo	get_version_info () const
	Get information about the module and version of the object.
void	remove_particle (kernel::Particle *d)
void	remove_particles (const kernel::Particles &d)
void	reserve_particles (unsigned int sz)
void	set_particles (const kernel::Particles &ps)
void	set_particles_order (const kernel::Particles &objs)
virtual double	unprotected_evaluate (IMP::kernel::DerivativeAccumulator *accum) const
Public Member Functions inherited from IMP::kernel::Restraint
	Restraint (kernel::Model *m, std::string name)
void	add_score_and_derivatives (ScoreAccumulator sa) const
Restraint *	create_current_decomposition () const
	Decompose this restraint into constituent terms for the current conf. More...
Restraint *	create_decomposition () const
	Decompose this restraint into constituent terms. More...
virtual ScoringFunction *	create_scoring_function (double weight=1.0, double max=NO_MAX) const
virtual double	get_last_score () const
double	get_score () const
bool	get_was_good () const
void	set_weight (Float weight)
Float	get_weight () const
double	get_maximum_score () const
void	set_maximum_score (double s)
Public Member Functions inherited from IMP::kernel::ModelObject
	ModelObject (kernel::Model *m, std::string name)
bool	get_has_dependencies () const
	Return whether this object has dependencies computed.
bool	get_has_required_score_states () const
ModelObjectsTemp	get_inputs () const
ModelObjectsTemps	get_interactions () const
Model *	get_model () const
ModelObjectsTemp	get_outputs () const
const ScoreStatesTemp &	get_required_score_states () const
void	set_has_dependencies (bool tf)
void	set_has_required_score_states (bool tf)
Public Member Functions inherited from IMP::base::Object
virtual void	clear_caches ()
virtual void	do_destroy ()
CheckLevel	get_check_level () const
LogLevel	get_log_level () const
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)

Additional Inherited Members
Protected Member Functions inherited from IMP::kernel::Restraint
virtual void	do_add_score_and_derivatives (ScoreAccumulator sa) const
virtual Restraints	do_create_current_decomposition () const
virtual Restraints	do_create_decomposition () const
ModelObjectsTemp	do_get_outputs () const
Protected Member Functions inherited from IMP::kernel::ModelObject
virtual ModelObjectsTemps	do_get_interactions () const
virtual void	handle_set_has_required_score_states (bool)
Protected Member Functions inherited from IMP::base::Object
	Object (std::string name)
	Construct an object with the given name. More...

Detailed Description

Definition at line 29 of file WeightedExcludedVolumeRestraint.h.

Constructor & Destructor Documentation

IMP::multifit::WeightedExcludedVolumeRestraint::WeightedExcludedVolumeRestraint	(	core::RigidBodies	rbs,
		Refiner *	refiner,
		FloatKey	weight_key = IMP::atom::Mass::get_mass_key()
	)

Parameters

[in]	rbs	Excluded volume will be calculated between these Rigid bodies
[in]	refiner	rigid body refiner
[in]	weight_key	the name of the weight attribute of the particles

Note

kernel::Particles that are rigid-bodies are interpolated and not resampled. This significantly reduces the running time but is less accurate.

Member Function Documentation

virtual IMP::kernel::ModelObjectsTemp IMP::multifit::WeightedExcludedVolumeRestraint::do_get_inputs ( ) const

virtual

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::kernel::ModelObject.

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

• WeightedExcludedVolumeRestraint.h