Detailed Description

Score a pair of particles based on their distance using a Harmonic. This is faster than DistancePairScore if you are using a Harmonic.

Definition at line 35 of file core/DistancePairScore.h.

Public Member Functions
	HarmonicDistancePairScore (double x0, double k, std::string name="HarmonicDistancePairScore%1%")

kernel::ModelObjectsTemp	do_get_inputs (kernel::Model *m, const kernel::ParticleIndexes &pis) const

double	evaluate_index (kernel::Model m, const kernel::ParticleIndexPair &pip, DerivativeAccumulator da) const
	Compute the score and the derivative if needed. More...

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. More...

Public Member Functions inherited from IMP::kernel::PairScore
	PairScore (std::string name="PairScore %1%")

Restraints	create_current_decomposition (kernel::Model *m, const kernel::ParticleIndexPair &vt) const

virtual double	evaluate (const kernel::ParticlePair &vt, DerivativeAccumulator *da) const
	Compute the score and the derivative if needed. More...

virtual double	evaluate_if_good_index (kernel::Model m, const kernel::ParticleIndexPair &vt, DerivativeAccumulator da, double max) const
	Compute the score and the derivative if needed. More...

virtual double	evaluate_if_good_indexes (kernel::Model m, const kernel::ParticleIndexPairs &o, DerivativeAccumulator da, double max, unsigned int lower_bound, unsigned int upper_bound) const

virtual double	evaluate_indexes (kernel::Model m, const kernel::ParticleIndexPairs &o, DerivativeAccumulator da, unsigned int lower_bound, unsigned int upper_bound) const
	Compute the score and the derivative if needed over a set. More...

Public Member Functions inherited from IMP::kernel::ParticleInputs
virtual ContainersTemp	get_input_containers (Particle *p) const

virtual ParticlesTemp	get_input_particles (Particle *p) const

ModelObjectsTemp	get_inputs (kernel::Model *m, const ParticleIndexes &pis) const

Public Member Functions inherited from IMP::base::Object
virtual void	clear_caches ()

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
Public Types inherited from IMP::kernel::PairScore
typedef kernel::ParticlePair	Argument

typedef kernel::ParticleIndexPair	IndexArgument

typedef PairModifier	Modifier

typedef const kernel::ParticlePair &	PassArgument

typedef const kernel::ParticleIndexPair &	PassIndexArgument

Protected Member Functions inherited from IMP::kernel::PairScore
virtual Restraints	do_create_current_decomposition (kernel::Model *m, const kernel::ParticleIndexPair &vt) const

Protected Member Functions inherited from IMP::base::Object
	Object (std::string name)
	Construct an object with the given name. More...

virtual void	do_destroy ()

Member Function Documentation

kernel::ModelObjectsTemp IMP::core::HarmonicDistancePairScore::do_get_inputs	(	kernel::Model *	m,
		const kernel::ParticleIndexes &	pis
	)		const

virtual

Overload this method to specify the inputs.

Reimplemented from IMP::kernel::ParticleInputs.

double IMP::core::HarmonicDistancePairScore::evaluate_index	(	kernel::Model *	m,
		const kernel::ParticleIndexPair &	vt,
		DerivativeAccumulator *	da
	)		const

virtual

Compute the score and the derivative if needed.

evaluate the score and the derivative if needed over vt

Parameters

m	the model of vt
vt	the index in m of an object of type ParticlePair
da	a derivative accumulator that reweighting computed derivatives. If nullptr, derivatives will not be computed

Reimplemented from IMP::kernel::PairScore.

virtual ::IMP::base::VersionInfo IMP::core::HarmonicDistancePairScore::get_version_info ( ) const

virtual

Get information about the module and version of the object.

Reimplemented from IMP::base::Object.

Definition at line 35 of file core/DistancePairScore.h.

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

core/DistancePairScore.h

Detailed Description

Public Member Functions

Additional Inherited Members

Member Function Documentation