A repulsive potential on the distance between two atoms. More...

#include <IMP/isd/RepulsiveDistancePairScore.h>

Inheritance diagram for IMP::isd::RepulsiveDistancePairScore:

Public Member Functions
	RepulsiveDistancePairScore (double d0, double k)

virtual void	do_show (std::ostream &out) const

double	get_rest_length () const

double	get_stiffness () const

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

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

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

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

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

virtual double	evaluate_index (Model m, const ParticleIndexPair &vt, DerivativeAccumulator da) const
	Compute the score and the derivative if needed.

virtual double	evaluate_indexes (Model m, const ParticleIndexPairs &o, DerivativeAccumulator da, unsigned int lower_bound, unsigned int upper_bound) const

ContainersTemp	get_input_containers (Particle *p) const

ParticlesTemp	get_input_particles (Particle *p) const

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

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

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. 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)

Related Functions
(Note that these are not member functions.)
typedef IMP::base::Vector < IMP::base::WeakPointer < RepulsiveDistancePairScore > >	RepulsiveDistancePairScoresTemp

Related Functions inherited from IMP::kernel::PairScore
typedef IMP::base::Vector < IMP::base::WeakPointer < PairScore > >	PairScoresTemp

Related Functions inherited from IMP::base::Object
typedef IMP::base::Vector < IMP::base::WeakPointer < Object > >	ObjectsTemp

Additional Inherited Members
Public Types inherited from IMP::kernel::PairScore
typedef ParticlePair	Argument

typedef ParticleIndexPair	IndexArgument

typedef PairModifier	Modifier

typedef const ParticlePair &	PassArgument

typedef const ParticleIndexPair &	PassIndexArgument

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

virtual ModelObjectsTemp	do_get_inputs (Model *m, const ParticleIndexes &pis) const =0

Detailed Description

See Also: XYZR; SphereDistancePairScore; DistancePairScore; LennardJonesPairScore

Definition at line 26 of file RepulsiveDistancePairScore.h.

Friends And Related Function Documentation

typedef IMP::base::Vector<IMP::base::WeakPointer< RepulsiveDistancePairScore > > RepulsiveDistancePairScoresTemp

Definition at line 44 of file RepulsiveDistancePairScore.h.

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

RepulsiveDistancePairScore.h

Public Member Functions

Related Functions

Additional Inherited Members

Detailed Description

Friends And Related Function Documentation