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Apply the score to either the k closest pairs (sphere distance). The envisioned use case is that the two particles each represent a protein and the refiners return the geometry for that protein.
Examples: displaying ensembles, nup84 cg, connectivity restraint
Inheritance diagram for IMP::core::KClosePairsPairScore:Public Member Functions | |
| KClosePairsPairScore (PairScore *f, Refiner *r, int k=1) | |
| Restraints | create_current_decomposition (const ParticlePair &vt) const |
| ParticlePairsTemp | get_close_pairs (const ParticlePair &pp) const |
| Public Member Functions inherited from IMP::PairScore | |
| PairScore (std::string name="PairScore %1%") | |
| virtual double | evaluate (const ParticlePair &vt, DerivativeAccumulator *da) const =0 |
| Compute the score and the derivative if needed. | |
| virtual double | evaluate (const ParticlePairsTemp &o, DerivativeAccumulator *da) const |
| 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) 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) const |
| virtual ContainersTemp | get_input_containers (Particle *p) const =0 |
| virtual ParticlesTemp | get_input_particles (Particle *p) const =0 |
| Public Member Functions inherited from IMP::base::Object | |
| std::size_t | __hash__ () const |
| virtual std::string | get_type_name () const =0 |
| Return a string identifying the type of the object. | |
| 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. | |
| 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) |
Static Public Member Functions | |
| static KClosePairsPairScore * | get_from (IMP::base::Object *o) |
Additional Inherited Members | |
| Public Types inherited from IMP::PairScore | |
| typedef ParticlePair | Argument |
| typedef ParticleIndexPair | IndexArgument |
only score the k closest pairs.
| Restraints IMP::core::KClosePairsPairScore::create_current_decomposition | ( | const ParticlePair & | vt | ) | const |
Decompose this pair score acting on the pair into a set of restraints. The scoring function and derivatives should be equal to the current score. The defualt implementation just returns this object bound to the pair.
Reimplemented from IMP::PairScore.
