IMP  2.2.0
The Integrative Modeling Platform
IMP::core::HarmonicUpperBoundSphereDiameterPairScore Class Reference

A harmonic upper bound on the diameter of the span of two spheres. More...

#include <IMP/core/SphereDistancePairScore.h>

+ Inheritance diagram for IMP::core::HarmonicUpperBoundSphereDiameterPairScore:

Public Member Functions

 HarmonicUpperBoundSphereDiameterPairScore (double d0, double k)
 
kernel::ModelObjectsTemp do_get_inputs (kernel::Model *m, const kernel::ParticleIndexes &pis) const
 
double evaluate_if_good_indexes (kernel::Model *m, const kernel::ParticleIndexPairs &p, DerivativeAccumulator *da, double max, unsigned int lower_bound, unsigned int upper_bound) const
 
double evaluate_index (kernel::Model *m, const kernel::ParticleIndexPair &p, DerivativeAccumulator *da) const
 Compute the score and the derivative if needed.
 
double evaluate_indexes (kernel::Model *m, const kernel::ParticleIndexPairs &p, DerivativeAccumulator *da, unsigned int lower_bound, unsigned int upper_bound) const
 
double get_rest_length () const
 
double get_stiffness () 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.
 
- 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.
 
- 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 ()
 
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

- 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...
 

Detailed Description

This restraint restraints how far the furthest points of two spheres are from one another.

See Also
XYZR
SpherePairScore
SoftSpherePairScore
NormalizedSphereDistancePairScore

Definition at line 65 of file SphereDistancePairScore.h.

Member Function Documentation

kernel::ModelObjectsTemp IMP::core::HarmonicUpperBoundSphereDiameterPairScore::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::HarmonicUpperBoundSphereDiameterPairScore::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

Implementations for these are provided by the IMP_PAIR_SCORE() macro.

Reimplemented from IMP::kernel::PairScore.

Definition at line 77 of file SphereDistancePairScore.h.

double IMP::core::HarmonicUpperBoundSphereDiameterPairScore::evaluate_indexes ( kernel::Model m,
const kernel::ParticleIndexPairs o,
DerivativeAccumulator da,
unsigned int  lower_bound,
unsigned int  upper_bound 
) const
virtual

Implementations for these are provided by the IMP_PAIR_SCORE() macro.

Reimplemented from IMP::kernel::PairScore.

Definition at line 77 of file SphereDistancePairScore.h.


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